FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Xu, P Huang, YJ Miller, N Schlegel, N Shen, PY AF Xu, Peng Huang, Yu Joe Miller, Norman Schlegel, Nicole Shen, Pengyuan TI Impacts of climate change on building heating and cooling energy patterns in California SO ENERGY LA English DT Article DE Climate change; Model building; California climate; Building energy ID RESIDENTIAL ELECTRICITY CONSUMPTION; DEMAND; MODEL; RESPONSES AB Global climate change is making California's mild Mediterranean climate significantly warmer, and a substantial impact on building energy usage is anticipated. Studies on building cooling and energy demand have been inaccurate and insufficient regarding the impacts of climate change on the peak load pattern shifts of different kinds of buildings. This study utilized archived General Circulation Model (GCM) projections and statistically downscaled these data to the site scale for use in building cooling and heating simulations. Building energy usage was projected out to the years of 2040, 2070, and 2100. This study found that under the condition that the cooling technology stays at the same level in the future, electricity use for cooling will increase by 50% over the next 100 years in certain areas of California under the IPCC (Intergovernmental Panel on Climate Change)'s worst-case carbon emission scenario, A1F1. Under the IPCC's most likely carbon emission scenario (A2), cooling electricity usage will increase by about 25%. Certain types of buildings will be more sensitive to climate change than others. The aggregated energy consumption of all buildings including both heating and cooling will only increase slightly. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Xu, Peng; Shen, Pengyuan] Tongji Univ, Coll Mech Engn, Shanghai 200092, Peoples R China. [Huang, Yu Joe] Whitebox Technol Inc, Moraga, CA USA. [Miller, Norman; Schlegel, Nicole] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Xu, P (reprint author), Tongji Univ, Coll Mech Engn, Shanghai 200092, Peoples R China. EM xupengessay@gmail.com FU California Energy Commission FX The authors thank the California Energy Commission for their support of this research. NR 46 TC 21 Z9 21 U1 2 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD AUG PY 2012 VL 44 IS 1 BP 792 EP 804 DI 10.1016/j.energy.2012.05.013 PG 13 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 998RY UT WOS:000308259300078 ER PT J AU Hou, ZS Rockhold, ML Murray, CJ AF Hou, Zhangshuan Rockhold, Mark L. Murray, Christopher J. TI Evaluating the impact of caprock and reservoir properties on potential risk of CO2 leakage after injection SO ENVIRONMENTAL EARTH SCIENCES LA English DT Article DE Carbon sequestration; CO2 leakage; Seal integrity; Natural CO2 leakage pathways; Caprock properties; Caprock geology AB Numerical models are essential tools in fully understanding the fate of injected CO2 for commercial-scale sequestration projects and should be included in the life cycle of a project. Common practice involves modeling the behavior of CO2 during and after injection using site-specific reservoir and caprock properties. Little has been done to systematically evaluate and compare the effects of a broad but realistic range of reservoir and caprock properties on potential CO2 leakage through caprocks. This effort requires sampling the physically measurable range of caprock and reservoir properties, and performing numerical simulations of CO2 migration and leakage. In this study, factors affecting CO2 leakage through intact caprocks are identified. Their physical ranges are determined from the literature from various field sites. A quasi-Monte Carlo sampling approach is used such that the full range of caprock and reservoir properties can be evaluated without bias and redundant simulations. For each set of sampled properties, the migration of injected CO2 is simulated for up to 200 years using the water-salt-CO2 operational mode of the STOMP simulator. Preliminary results show that critical factors determining CO2 leakage rate through caprocks are, in decreasing order of significance, the caprock thickness, caprock permeability, reservoir permeability, caprock porosity, and reservoir porosity. This study provides a function for prediction of potential CO2 leakage risk due to permeation of intact caprock and identifies a range of acceptable seal thicknesses and permeability for sequestration projects. The study includes an evaluation of the dependence of CO2 injectivity on reservoir properties. C1 [Hou, Zhangshuan; Rockhold, Mark L.; Murray, Christopher J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Murray, CJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM Chris.Murray@pnl.gov RI Hou, Zhangshuan/B-1546-2014 OI Hou, Zhangshuan/0000-0002-9388-6060 FU US Department of Energy National Energy Technology Laboratory National Risk Assessment Partnership; U.S. Department of Energy [DE-AC05-RL01830, DE-AC05-76RL01830] FX We gratefully acknowledge helpful comments received from an anonymous reviewer. This study stemmed from a project supported by the US Department of Energy National Energy Technology Laboratory National Risk Assessment Partnership. The study was conducted at the Pacific Northwest National Laboratory, operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-RL01830.; This manuscript has been authored by Battelle Memorial Institute under Contract No. DE-AC05-76RL01830 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 32 TC 19 Z9 19 U1 1 U2 24 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1866-6280 J9 ENVIRON EARTH SCI JI Environ. Earth Sci. PD AUG PY 2012 VL 66 IS 8 BP 2403 EP 2415 DI 10.1007/s12665-011-1465-2 PG 13 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 985DU UT WOS:000307244400021 ER PT J AU Chien, CC Di Ventra, M AF Chien, Chih-Chun Di Ventra, Massimiliano TI Dynamical crossover between the infinite-volume and empty-lattice limits of ultra-cold fermions in 1D optical lattices SO EPL LA English DT Article ID TRANSPORT; GAS AB Unlike typical condensed-matter systems, ultra-cold atoms loaded into optical lattices allow separate control of both the particle number and system size. As a consequence, there are two distinct " thermodynamic" limits that can be defined for these systems: i) "infinite-volume limit" at constant finite density, and ii) "empty-lattice limit" at constant particle number. To probe the difference between these two limits and their crossover, we consider a partially occupied lattice and study the transport of non-interacting fermions and fermions interacting at the mean-field level into the unoccupied region. In the infinite-volume limit, a finite steady-state current emerges. On the other hand, in the empty-lattice limit there is no finite steady-state current. By changing the initial filling, we find a smooth crossover between the two limits. Our predictions may be verified using available experimental tools and demonstrate a fundamental difference between isolated small systems such as ultra-cold atoms and conventional condensed-matter systems. Copyright (C) EPLA, 2012 C1 [Chien, Chih-Chun] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Di Ventra, Massimiliano] Univ Calif San Diego, Dept Phys, San Diego, CA 92093 USA. RP Chien, CC (reprint author), Los Alamos Natl Lab, Div Theoret, MS B213, Los Alamos, NM 87545 USA. RI Di Ventra, Massimiliano/E-1667-2011 OI Di Ventra, Massimiliano/0000-0001-9416-189X FU U. S. Department of Energy through the LANL/LDRD Program; DOE [DE-FG02-05ER46204]; UC Laboratories FX We thank M. ZWOLAK for useful discussions. C-CC acknowledges the support of the U. S. Department of Energy through the LANL/LDRD Program. MD acknowledges support from the DOE grant DE-FG02-05ER46204 and UC Laboratories. NR 22 TC 12 Z9 12 U1 0 U2 1 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD AUG PY 2012 VL 99 IS 4 AR 40003 DI 10.1209/0295-5075/99/40003 PG 6 WC Physics, Multidisciplinary SC Physics GA 000HC UT WOS:000308376100003 ER PT J AU Alagoz, E Bubna, M Krzywda, A Dalla Betta, GF Povoli, M Obertino, MM Solano, A Pereirah, AV Arndt, K Bolla, G Bortoletto, D Boscardin, M Kwan, S Rivera, R Shipsey, I Uplegger, L AF Alagoz, E. Bubna, M. Krzywda, A. Dalla Betta, G. F. Povoli, M. Obertino, M. M. Solano, A. Vilela Pereirah, A. Arndt, K. Bolla, G. Bortoletto, D. Boscardin, M. Kwan, S. Rivera, R. Shipsey, I. Uplegger, L. TI Simulation and laboratory test results of 3D CMS pixel detectors for HL-LHC SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Large detector systems for particle and astroparticle physics; Particle tracking detectors (Solid-state detectors) ID SILICON DETECTORS; BARREL MODULES; FABRICATION; SENSORS; DESIGN AB The CMS pixel detector is the innermost tracking device at the LHC, reconstructing interaction vertices and charged particle trajectories. The current planar sensors located in the innermost layer of the pixel detector will be exposed to very high fluences which will degrade their performances. As a possible replacement for planar pixel sensors in the High Luminosity-LHC (HL-LHC), 3D silicon technology is under consideration due to its expected good performance in harsh radiation environments. Studies are also in progress for using 3D silicon pixel detectors in near-beam proton spectrometers at the LHC. Deep Reactive Ion Etching (DRIE) plays a key role in fabricating 3D silicon detectors in which readout and ohmic electrodes are processed through the silicon substrate instead of being implanted on the silicon surface. 3D pixel devices considered in this study were processed at FBK (Trento, Italy), bump bonded to the CMS pixel readout chip, and characterized in the laboratory. Numerical simulations were also carried out. We report on selected results from laboratory measurements and TCAD simulations. C1 [Alagoz, E.; Bubna, M.; Krzywda, A.; Arndt, K.; Bolla, G.; Bortoletto, D.; Shipsey, I.] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Dalla Betta, G. F.; Povoli, M.] Univ Trento, INFN Padova, Grp Collegato Trento, I-38123 Povo, TN, Italy. [Dalla Betta, G. F.; Povoli, M.] Univ Trento, Dipartimento Ingn & Sci Informaz, I-38123 Povo, TN, Italy. [Obertino, M. M.] Univ Piemonte Orientale, Novara, Italy. [Solano, A.] Univ Turin, Turin, Italy. [Obertino, M. M.; Solano, A.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Boscardin, M.] FBK, Ctr Mat & Microsistemi, I-38123 Povo, TN, Italy. [Kwan, S.; Rivera, R.; Uplegger, L.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Vilela Pereirah, A.] Univ Estado Rio de Janeiro, Inst Fis, BR-20550013 Rio De Janeiro, RJ, Brazil. RP Alagoz, E (reprint author), Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. EM enver.alagoz@cern.ch RI Dalla Betta, Gian-Franco/I-1783-2012; Boscardin, Maurizio/A-4420-2014; Vilela Pereira, Antonio/L-4142-2016; OI Dalla Betta, Gian-Franco/0000-0001-5516-9282; Vilela Pereira, Antonio/0000-0003-3177-4626; Arndt, Kirk/0000-0002-6826-8340 FU U.S. Department of Energy [DE-FG02-91ER40681]; National Science Foundation [PHY 0612805 UCLA, 1000 G HD 870]; Provincia Autonoma di Trento; Italian National Institute for Nuclear Physics (INFN) FX This work was supported in part by the U.S. Department of Energy under Grant DE-FG02-91ER40681, in part by the National Science Foundation under Cooperative Agreement PHY 0612805 UCLA Subaward 1000 G HD 870, in part by the Provincia Autonoma di Trento through the Project MEMS2, and in part by the Italian National Institute for Nuclear Physics (INFN) through the CSN5 Project TREDI. NR 29 TC 8 Z9 8 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2012 VL 7 AR P08023 DI 10.1088/1748-0221/7/08/P08023 PG 21 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 007DU UT WOS:000308869800034 ER PT J AU Harmand, M Murphy, CD Brown, CRD Cammarata, M Doppner, T Dusterer, S Fritz, D Forster, E Galtier, E Gaudin, J Glenzer, SH Gode, S Gregori, G Hilbert, V Hochhaus, D Laarmann, T Lee, HJ Lemke, H Meiwes-Broer, KH Moinard, A Neumayer, P Przystawik, A Redlin, H Schulz, M Skruszewicz, S Tavella, F Tschentscher, T White, T Zastrau, U Toleikis, S AF Harmand, M. Murphy, C. D. Brown, C. R. D. Cammarata, M. Doeppner, T. Duesterer, S. Fritz, D. Foerster, E. Galtier, E. Gaudin, J. Glenzer, S. H. Goede, S. Gregori, G. Hilbert, V. Hochhaus, D. Laarmann, T. Lee, H. J. Lemke, H. Meiwes-Broer, K. -H. Moinard, A. Neumayer, P. Przystawik, A. Redlin, H. Schulz, M. Skruszewicz, S. Tavella, F. Tschentscher, T. White, T. Zastrau, U. Toleikis, S. TI Plasma switch as a temporal overlap tool for pump-probe experiments at FEL facilities SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Timing detectors; Instrumentation for FEL; Beam-line instrumentation (beam position and profile monitors; beam-intensity monitors; bunch length monitors) AB We have developed an easy-to-use and reliable timing tool to determine the arrival time of an optical laser and a free electron laser (FEL) pulses within the jitter limitation. This timing tool can be used from XUV to X-rays and exploits high FELs intensities. It uses a shadowgraph technique where we optically (at 800 nm) image a plasma created by an intense XUV or X-ray FEL pulse on a transparent sample (glass slide) directly placed at the pump - probe sample position. It is based on the physical principle that the optical properties of the material are drastically changed when its free electron density reaches the critical density. At this point the excited glass sample becomes opaque to the optical laser pulse. The ultra-short and intense XUV or X-ray FEL pulse ensures that a critical electron density can be reached via photoionization and subsequent collisional ionization within the XUV or X-ray FEL pulse duration or even faster. This technique allows to determine the relative arrival time between the optical laser and the FEL pulses in only few single shots with an accuracy mainly limited by the optical laser pulse duration and the jitter between the FEL and the optical laser. Considering the major interest in pump-probe experiments at FEL facilities in general, such a femtosecond resolution timing tool is of utmost importance. C1 [Harmand, M.; Duesterer, S.; Laarmann, T.; Przystawik, A.; Redlin, H.; Schulz, M.; Tavella, F.; Toleikis, S.] Deutsch Elektronen Synchrotron DESY, D-22607 Hamburg, Germany. [Murphy, C. D.; Brown, C. R. D.; Gregori, G.; White, T.] Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. [Cammarata, M.; Fritz, D.; Lee, H. J.; Lemke, H.] SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA. [Doeppner, T.; Glenzer, S. H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Foerster, E.; Hilbert, V.; Zastrau, U.] Univ Jena, IOQ, D-07743 Jena, Germany. [Gaudin, J.; Tschentscher, T.] European XFEL GmbH, D-22761 Hamburg, Germany. [Goede, S.; Meiwes-Broer, K. -H.; Skruszewicz, S.] Univ Rostock, Inst Phys, D-18051 Rostock, Germany. [Hochhaus, D.; Neumayer, P.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Galtier, E.; Moinard, A.] Ecole Polytech, Lab Utilisat Lasers Intenses, F-91128 Palaiseau, France. [Foerster, E.] Helmholtz Inst Jena, D-07743 Jena, Germany. [Neumayer, P.] EMMI, D-64291 Darmstadt, Germany. [Brown, C. R. D.] AWE Aldernaston, Reading RG7 4PR, Berks, England. RP Harmand, M (reprint author), Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany. EM marion.harmand@desy.de RI Harmand, Marion/J-6006-2012; Cammarata, Marco/C-2322-2008; harmand, marion/Q-1248-2016; Lemke, Henrik Till/N-7419-2016; OI Cammarata, Marco/0000-0003-3013-1186; harmand, marion/0000-0003-0713-5824; Lemke, Henrik Till/0000-0003-1577-8643; Zastrau, Ulf/0000-0002-3575-4449 FU German Federal Ministry for Education and Research (BMBF) [FSP 301-FLASH]; VolkswagenStiftung via a Peter-Paul-Ewald Fellowship FX We acknowledge all our FLASH, LCLS and Peak Brightness collaborators. We also thank B. Ziaja and N. Medvedev (CFEL, Center for Free Electron Science science, DESY) for stimulating discussions. The authors are greatly indebted to the machine operators, run coordinators, scientific and technical teams of the FLASH and LCLS facilities for enabling an outstanding performance. E. Forster, U. Zastrau and V. Hilbert are grateful to the German Federal Ministry for Education and Research (BMBF) via project FSP 301-FLASH. U. Zastrau acknowledges the VolkswagenStiftung via a Peter-Paul-Ewald Fellowship. NR 19 TC 3 Z9 3 U1 1 U2 19 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2012 VL 7 AR P08007 DI 10.1088/1748-0221/7/08/P08007 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 007DU UT WOS:000308869800018 ER PT J AU Hoff, J Johnson, M Lipton, R Magazzu, G AF Hoff, J. Johnson, M. Lipton, R. Magazzu, G. TI Readout chip for an L1 tracking trigger using asynchronous logic SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT Workshop on Intelligent Trackers (WIT) CY MAY 03-05, 2012 CL INFN, Pisa, ITALY HO INFN DE Large detector systems for particle and astroparticle physics; Trigger detectors; Particle tracking detectors (Solid-state detectors) AB Adding a silicon based tracker to the level 1 trigger systems for LHC detectors can substantially increase the ability of these systems to find events with patterns of high Pt tracks. This is especially true for high luminosity running where there may be several hundred interactions per crossing. Cooling and mass constraints require that the readout chips have low power and generate little electrical noise. The LHC crossing clock and experiment trigger latency requires that a trigger be able to be made in less than 100 LHC crossings of 25 ns each. One way to minimize power and noise is to use asynchronous logic. We present a readout chip design for both level 1 trigger and event readout that is entirely asynchronous. The only clock used is the LHC crossing clock. C1 [Hoff, J.; Johnson, M.; Lipton, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Magazzu, G.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. RP Johnson, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mjohnson@fnal.gov NR 4 TC 3 Z9 3 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2012 VL 7 AR C08004 DI 10.1088/1748-0221/7/08/C08004 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 007DU UT WOS:000308869800004 ER PT J AU Lemos, N Martins, JL Dias, JM Marsh, KA Pak, A Joshi, C AF Lemos, N. Martins, J. L. Dias, J. M. Marsh, K. A. Pak, A. Joshi, C. TI Forward directed ion acceleration in a LWFA with ionization-induced injection SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID INTENSITY LASER INTERACTIONS; PLASMA AB In this work we present an experimental study where energetic ions were produced in an underdense 2.5 x 10(19) cm(-3) plasma created by a 50 fs Ti:Sapphire laser with 5 TWs of power. The plasma comprises 95% He and 5% N-2 gases. Ionization-induced trapping of nitrogen K-shell electrons in the laser-induced wakefield generates an electron beam with a mean energy of 40 MeV and similar to 1 nC of charge. Some of the helium ions at the wake-vacuum interface are accelerated with a measured minimum ion energy of He1+ ions of 1.2 MeV and He2+ ions of 4 MeV. The physics of the interaction is studied with 2D particle-in-cell simulations. These reveal the formation of an ion filament on the axis of the plasma due to space charge attraction of the wakefield-accelerated high-charge electron bunch. Some of these high-energy electrons escape the plasma to form a sheath at the plasma vacuum boundary that accelerates some of the ions in the filament in the forward direction. Electrons with energy less than the sheath potential cannot escape and return to the plasma boundary in a vortex-like motion. This in turn produces a time-varying azimuthal magnetic field, which generates a longitudinal electric field at the interface that further accelerates and collimates the ions. C1 [Lemos, N.; Martins, J. L.; Dias, J. M.] Univ Tecn Lisboa, GoLP Inst Plasmas & Fusao Nucl, Lab Associado, Inst Super Tecn, P-1049001 Lisbon, Portugal. [Marsh, K. A.; Joshi, C.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Pak, A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Lemos, N (reprint author), Univ Tecn Lisboa, GoLP Inst Plasmas & Fusao Nucl, Lab Associado, Inst Super Tecn, Av Rovisco Pais, P-1049001 Lisbon, Portugal. EM nuno.lemos@ist.utl.pt RI Dias, Joao/L-6496-2013; Luis Martins, Joana/K-6610-2015 OI Dias, Joao/0000-0003-0167-1466; Luis Martins, Joana/0000-0003-2748-0377 FU FCT Portugal [SFRH/BD/37838/2007, SFRH/BD/39523/2007]; DOE grant [DE-FG02-92-ER40727]; NSF grant at UCLA [PHY-0936266] FX The work of NRCL was partially supported by FCT Portugal through the grants SFRH/BD/37838/2007 and SFRH/BD/39523/2007, and DOE grant DE-FG02-92-ER40727 and NSF grant PHY-0936266 at UCLA. The authors would like to thank Dr. T. Grismayer and Professor W. Mori for fruitful discussions. The authors would also like to thank the Osiris consortium (UCLA/IST) for the use of Osiris. NR 20 TC 4 Z9 4 U1 1 U2 22 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 J9 J PLASMA PHYS JI J. Plasma Phys. PD AUG PY 2012 VL 78 SI SI BP 327 EP 331 DI 10.1017/S0022377811000602 PN 4 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 004HJ UT WOS:000308671900003 ER PT J AU Gai, W Power, JG Jing, C AF Gai, W. Power, J. G. Jing, C. TI Short-pulse dielectric two-beam acceleration SO JOURNAL OF PLASMA PHYSICS LA English DT Article AB We are exploring a new parameter space of the two-beam acceleration (TBA) scheme based on an ultra-short (similar to 20 ns) rf pulse in a dielectric TBA. All two-beam accelerators (TBAs) use an electron drive beam to generate high-power rf in a decelerator and extract this power to drive an accelerating structure to high gradient. Typically, the rf pulse is on the order of hundreds of us or greater in order to maintain good rf-to-beam efficiency. However, recent scaling arguments show that the rf breakdown threshold improves with decreasing rf pulse length, so it desirable to find a way to run at short-pulse length with good efficiency. In this paper, we discuss how we chose the design parameters of a short-pulse TBA for a TeV linear collider module. We then present plans for an experimental program to demonstrate TBA at Argonne wakefield accelerator (AWA) facility including high-power rf generation, high-gradient acceleration, and staging. C1 [Gai, W.; Power, J. G.] ANL, Argonne, IL 60439 USA. [Jing, C.] Euclid Techlabs LLC, Solon, OH 44139 USA. RP Gai, W (reprint author), ANL, Argonne, IL 60439 USA. EM jp@anl.gov FU DOE, office of science [DE-AC02-060-111357]; DOE SBIR grant [DE-SC0004320] FX This work is supported by DOE, office of science, under contract No. DE-AC02-060-111357 and DOE SBIR grant under contract No. DE-SC0004320. NR 17 TC 2 Z9 2 U1 0 U2 3 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 J9 J PLASMA PHYS JI J. Plasma Phys. PD AUG PY 2012 VL 78 SI SI BP 339 EP 345 DI 10.1017/SO022377812000037 PN 4 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 004HJ UT WOS:000308671900005 ER PT J AU Xia, G Assmann, R Fonseca, RA Huang, C Mori, W Silva, LO Vieira, J Zimmermann, F Muggli, P AF Xia, G. Assmann, R. Fonseca, R. A. Huang, C. Mori, W. Silva, L. O. Vieira, J. Zimmermann, F. Muggli, P. CA PPWFA Collaboration TI A proposed demonstration of an experiment of proton-driven plasma wakefield acceleration based on CERN SPS SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID IN-CELL CODE; PHYSICS AB The proton bunch-driven plasma wakefield acceleration (PWFA) has been proposed as an approach to accelerate an electron beam to the TeV energy regime in a single plasma section. An experimental program has been recently proposed to demonstrate the capability of proton-driven PWFA by using existing proton beams from the European Organization for Nuclear Research (CERN) accelerator complex. At present, a spare Super Proton Synchrotron (SPS) tunnel, having a length of 600 m, could be used for this purpose. The layout of the experiment is introduced. Particle-in-cell simulation results based on realistic SPS beam parameters are presented. Simulations show that working in a self-modulation regime, the wakefield driven by an SPS beam can accelerate an externally injected similar to 10 MeV electrons to similar to 2 GeV in a 10-m plasma, with a plasma density of 7 x 10(14) cm(-3). C1 [Xia, G.; Muggli, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Assmann, R.; Zimmermann, F.] CERN, Geneva, Switzerland. [Fonseca, R. A.; Silva, L. O.; Vieira, J.] IST, GoLP Inst Plasmas & Fusao Nucl, Lab Associado, Lisbon, Portugal. [Huang, C.] Los Alamos Natl Lab, Los Alamos, NM USA. [Mori, W.] Univ Calif Los Angeles, Los Angeles, CA USA. RP Xia, G (reprint author), Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. EM xiaguo@mpp.mpg.de RI Fonseca, Ricardo/B-7680-2009; Silva, Luis/C-3169-2009; Vieira, Jorge/M-4373-2013; Assmann, Ralph/L-8457-2016; OI Fonseca, Ricardo/0000-0001-6342-6226; Silva, Luis/0000-0003-2906-924X; Vieira, Jorge/0000-0002-5515-3624; Huang, Chengkun/0000-0002-3176-8042 NR 22 TC 16 Z9 16 U1 1 U2 14 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 J9 J PLASMA PHYS JI J. Plasma Phys. PD AUG PY 2012 VL 78 SI SI BP 347 EP 353 DI 10.1017/S0022377812000086 PN 4 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 004HJ UT WOS:000308671900006 ER PT J AU Tzoufras, M Huang, C Cooley, JH Tsung, FS Vieira, J Mori, WB AF Tzoufras, M. Huang, C. Cooley, J. H. Tsung, F. S. Vieira, J. Mori, W. B. TI Simulations of efficient laser wakefield accelerators from 1 to 100 GeV SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID SHORT-PULSE LASERS; IN-CELL CODE; ELECTRON-BEAMS; PLASMAS; INTENSE AB Optimization of laser wakefield acceleration involves understanding and control of the laser evolution in tenuous plasmas, the response of the plasma medium, and its effect on the accelerating particles. We explore these phenomena in the weakly nonlinear regime, in which the laser power is similar to the critical power for self-focusing. Using Particle-In-Cell simulations with the code QuickPIC, we demonstrate that a laser pulse can remain focused in a plasma channel for hundreds of Rayleigh lengths and efficiently accelerate a high-quality electron beam to 100 GeV (25 GeV) in a single stage with average gradient 3.6 GV/m (7.2 GV/m). C1 [Tzoufras, M.; Mori, W. B.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Huang, C.; Cooley, J. H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Tsung, F. S.; Mori, W. B.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Vieira, J.] Univ Tecn Lisboa, GoLP Inst Plasmas & Fusao Nucl, Inst Super Tecn, Lisbon, Portugal. RP Tzoufras, M (reprint author), Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. EM mtzouf@ucla.edu RI Tzoufras, Michail/C-6436-2009; Vieira, Jorge/M-4373-2013; OI Vieira, Jorge/0000-0002-5515-3624; Huang, Chengkun/0000-0002-3176-8042 FU DOE [DE-FC02-07ER41500, DE-FG02-02FR40727, DE-FG02-03ER54721, DE-FG52-09NA29552]; NSF [PHY090439, PHY0321345] FX We acknowledge useful discussions with Drs. W. Lu and B. Cowan. This work was supported by DOE under grants DE-FC02-07ER41500, DE-FG02-02FR40727, DE-FG02-03ER54721, and DE-FG52-09NA29552, and NSF under NSF grants PHY090439 and PHY0321345. NR 32 TC 5 Z9 6 U1 3 U2 15 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 J9 J PLASMA PHYS JI J. Plasma Phys. PD AUG PY 2012 VL 78 SI SI BP 401 EP 412 DI 10.1017/S0022377812000232 PN 4 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 004HJ UT WOS:000308671900012 ER PT J AU Chertkov, M Kolokolov, I Lebedev, V AF Chertkov, Michael Kolokolov, Igor Lebedev, Vladimir TI Tail-constraining stochastic linear-quadratic control: a large deviation and statistical physics approach SO JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT LA English DT Article DE robust and stochastic optimization; large deviations in non-equilibrium systems ID GAUSSIAN CONTROL; PASSIVE SCALAR; SYSTEMS; THERMODYNAMICS; TURBULENCE; DYNAMICS AB The standard definition of the stochastic risk-sensitive linear quadratic (RS-LQ) control depends on the risk parameter, which is normally left to be set exogenously. We reconsider the classical approach and suggest two alternatives, resolving the spurious freedom naturally. One approach consists in seeking for the minimum of the tail of the probability distribution function (PDF) of the cost functional at some large fixed value. Another option suggests minimizing the expectation value of the cost functional under a constraint on the value of the PDF tail. Under the assumption of resulting control stability, both problems are reduced to static optimizations over a stationary control matrix. The solutions are illustrated using the examples of scalar and 1D chain (string) systems. The large deviation self-similar asymptotic of the cost functional PDF is analyzed. C1 [Chertkov, Michael; Kolokolov, Igor; Lebedev, Vladimir] LANL, Ctr Nonlinear Studies, Los Alamos, NM USA. [Chertkov, Michael; Kolokolov, Igor; Lebedev, Vladimir] LANL, Div Theoret, Los Alamos, NM USA. [Chertkov, Michael; Kolokolov, Igor; Lebedev, Vladimir] New Mexico Consortium, Los Alamos, NM USA. [Kolokolov, Igor; Lebedev, Vladimir] LD Landau Theoret Phys Inst, Moscow, Russia. RP Chertkov, M (reprint author), LANL, Ctr Nonlinear Studies, Los Alamos, NM USA. EM chertkov@lanl.gov; kolokol@itp.ac.ru; lebede@itp.ac.ru RI Chertkov, Michael/O-8828-2015; OI Chertkov, Michael/0000-0002-6758-515X; Kolokolov, Igor/0000-0002-7961-8588 FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE C52-06NA25396] FX We are grateful to D Bienstock, L Gurvits, H J Kappen, K Turitsyn and participants of the 'Optimization and Control Theory for Smart Grids' project at LANL for motivating discussions and remarks. The research at LANL was carried out under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory under Contract No. DE C52-06NA25396. NR 45 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1742-5468 J9 J STAT MECH-THEORY E JI J. Stat. Mech.-Theory Exp. PD AUG PY 2012 AR P08007 DI 10.1088/1742-5468/2012/08/P08007 PG 16 WC Mechanics; Physics, Mathematical SC Mechanics; Physics GA 006DG UT WOS:000308799100007 ER PT J AU Clark, JN Huang, X Harder, R Robinson, IK AF Clark, J. N. Huang, X. Harder, R. Robinson, I. K. TI High-resolution three-dimensional partially coherent diffraction imaging SO NATURE COMMUNICATIONS LA English DT Article ID X-RAY-DIFFRACTION; SUB-ANGSTROM-RESOLUTION; MICROSCOPY; NANOSCALE; CRYSTALS; NANOCRYSTALS; HOLOGRAPHY; ATOMS AB The wave properties of light, particularly its coherence, are responsible for interference effects, which can be exploited in powerful imaging applications. Coherent diffractive imaging relies heavily on coherence and has recently experienced rapid growth. Coherent diffractive imaging recovers an object from its diffraction pattern by computational phasing with the potential of wavelength-limited resolution. Diminished coherence results in reconstructions that suffer from artefacts or fail completely. Here we demonstrate ab initio phasing of partially coherent diffraction patterns in three dimensions, while simultaneously determining the coherence properties of the illuminating wavefield. Both the dramatic improvements in image interpretability and the three-dimensional evaluation of the coherence will have broad implications for quantitative imaging of nanostructures and wavefield characterization with X-rays and electrons. C1 [Clark, J. N.; Huang, X.; Robinson, I. K.] UCL, London Ctr Nanotechnol, London WC1E 6BT, England. [Harder, R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Clark, JN (reprint author), UCL, London Ctr Nanotechnol, Mortimer St, London WC1E 6BT, England. EM jesse.clark@ucl.ac.uk RI Huang, Xiaojing/K-3075-2012 OI Huang, Xiaojing/0000-0001-6034-5893 FU European Research Council; US National Science Foundation [DMR-9724294]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by FP7 advanced grant from the European Research Council. The experimental work was carried out at Advanced Photon Source Beamline 34-ID-C, built with funds from the US National Science Foundation under Grant DMR-9724294 and operated by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. NR 37 TC 41 Z9 44 U1 8 U2 66 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD AUG PY 2012 VL 3 AR 993 DI 10.1038/ncomms1994 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 006EA UT WOS:000308801100009 PM 22871812 ER PT J AU Gu, Y Sun, W Wang, GF Jeftinija, K Jeftinija, S Fang, N AF Gu, Yan Sun, Wei Wang, Gufeng Jeftinija, Ksenija Jeftinija, Srdija Fang, Ning TI Rotational dynamics of cargos at pauses during axonal transport SO NATURE COMMUNICATIONS LA English DT Article ID TUG-OF-WAR; MOLECULAR MOTORS; BIDIRECTIONAL TRANSPORT; GOLD NANORODS; QUANTUM DOTS; INTRACELLULAR-TRANSPORT; MICROTUBULE MOTORS; LIVING CELLS; LIVE CELLS; DYNEIN AB Direct visualization of axonal transport in live neurons is essential for our understanding of the neuronal functions and the working mechanisms of microtubule-based motor proteins. Here we use the high-speed single particle orientation and rotational tracking technique to directly visualize the rotational dynamics of cargos in both active directional transport and pausing stages of axonal transport, with a temporal resolution of 2 ms. Both long and short pauses are imaged, and the correlations between the pause duration, the rotational behaviour of the cargo at the pause, and the moving direction after the pause are established. Furthermore, the rotational dynamics leading to switching tracks are visualized in detail. These first-time observations of cargo's rotational dynamics provide new insights on how kinesin and dynein motors take the cargo through the alternating stages of active directional transport and pause. C1 [Gu, Yan; Sun, Wei; Wang, Gufeng; Fang, Ning] US DOE, Ames Lab, Ames, IA 50011 USA. [Gu, Yan; Sun, Wei; Wang, Gufeng; Fang, Ning] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Jeftinija, Ksenija; Jeftinija, Srdija] Iowa State Univ, Dept Biomed Sci, Coll Vet Med, Ames, IA 50011 USA. RP Fang, N (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM nfang@iastate.edu RI Wang, Gufeng/B-3972-2011; Fang, Ning/A-8456-2011; Gu, Yan/B-5014-2014; Gu, Yan/P-1419-2014 OI Gu, Yan/0000-0001-6677-6432 FU Iowa State University FX The work was supported by the start-up funds from Iowa State University to N.F. We gratefully acknowledge the Microscopy and NanoImaging Facility at Iowa State University for taking transmission electron micrographs of the nanorod-containing vesicles. NR 59 TC 18 Z9 19 U1 0 U2 42 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD AUG PY 2012 VL 3 AR 1030 DI 10.1038/ncomms2037 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 006EA UT WOS:000308801100045 PM 22929787 ER PT J AU Pollard, SD Huang, L Buchanan, KS Arena, DA Zhu, Y AF Pollard, S. D. Huang, L. Buchanan, K. S. Arena, D. A. Zhu, Y. TI Direct dynamic imaging of non-adiabatic spin torque effects SO NATURE COMMUNICATIONS LA English DT Article ID DOMAIN-WALL MOTION AB Spin-transfer torques offer great promise for the development of spin-based devices. The effects of spin-transfer torques are typically analysed in terms of adiabatic and non-adiabatic contributions. Currently, a comprehensive interpretation of the non-adiabatic term remains elusive, with suggestions that it may arise from universal effects related to dissipation processes in spin dynamics, while other studies indicate a strong influence from the symmetry of magnetization gradients. Here we show that enhanced magnetic imaging under dynamic excitation can be used to differentiate between non-adiabatic spin-torque and extraneous influences. We combine Lorentz microscopy with gigahertz excitations to map the orbit of a magnetic vortex core with <5 nm resolution. Imaging of the gyrotropic motion reveals subtle changes in the ellipticity, amplitude and tilt of the orbit as the vortex is driven through resonance, providing a robust method to determine the non-adiabatic spin torque parameter beta = 0.15 +/- 0.02 with unprecedented precision, independent of external effects. C1 [Pollard, S. D.; Huang, L.; Zhu, Y.] Brookhaven Natl Lab, Dept Condensed Matter Phys, Upton, NY 11973 USA. [Pollard, S. D.; Huang, L.; Zhu, Y.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Buchanan, K. S.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. [Arena, D. A.] Brookhaven Natl Lab, Natl Synchrotron Source, Upton, NY 11973 USA. RP Zhu, Y (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys, Upton, NY 11973 USA. EM zhu@bnl.gov RI Pollard, Shawn/H-2722-2012; Pollard, Shawn/I-5360-2015; OI Buchanan, Kristen/0000-0003-0879-0038; Pollard, Shawn/0000-0001-9691-0997 FU US Department of Energy, Office of Basic Energy Science, Material Sciences and Engineering Division [DE-AC02-98CH10886]; NSF [0907706] FX The work was carried out at the Department of Condensed Matter Physics, Brookhaven National Laboratory (BNL), and was supported by the US Department of Energy, Office of Basic Energy Science, Material Sciences and Engineering Division under contract no. DE-AC02-98CH10886, and K. S. B. was supported by the NSF award number 0907706. Assistance from Anthony T. Bollinger on wire bonding and the use of Center for Functional Nanomaterials' facilities at BNL are greatly acknowledged. NR 28 TC 24 Z9 24 U1 4 U2 44 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD AUG PY 2012 VL 3 AR 1028 DI 10.1038/ncomms2025 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 006EA UT WOS:000308801100043 PM 22929785 ER PT J AU Murray, JA Benyahia, S Metzger, P Hrenya, CM AF Murray, J. A. Benyahia, S. Metzger, P. Hrenya, C. M. TI Continuum representation of a continuous size distribution of particles engaged in rapid granular flow SO PHYSICS OF FLUIDS LA English DT Article ID KINETIC-THEORY APPROACH; FLUIDIZED-BEDS; GAS/PARTICLE FLOW; SEGREGATION; MIXTURES; MODEL AB Natural and industrial granular flows often consist of several particle sizes, approximately forming a continuous particle size distribution (PSD). Continuous PSDs are ubiquitous, though existing kinetic-theory-based, hydrodynamic models for rapid granular flows are limited to a discrete number of species. The objective of this work is twofold: (i) to determine the number of discrete species required to accurately approximate a continuous PSD and (ii) to validate these results via a comparison with molecular dynamics (MD) simulations of continuous PSDs. With regard to the former, several analytic (Gaussian and lognormal) and experimental (coal and lunar soil simulants) distributions are investigated. Transport coefficients (pressure, shear viscosity, etc.) of the granular mixture given by the polydisperse theory of Garzo et al. ["Enskog theory for polydisperse granular mixtures. I. Navier-Stokes order transport," Phys. Rev. E 76, 031303 (2007); "Enskog theory for polydisperse granular mixtures. I. Navier-Stokes order transport," 76, 031304 (2007)] are compared using an increasing number of species s to approximate the given PSD. These discrete approximations are determined by matching the first 2s moments of the approximation and the given continuous distribution. Relatively few species are required to approximate moderately wide distributions (Gaussian, lognormal), whereas even wider distributions (coal and lunar soil simulants) require a larger number of species. Regarding the second objective, a comparison between MD simulations and kinetic-theory predictions for a simple shear flow of both Gaussian and lognormal PSDs reveal essentially no loss of accuracy stemming from the polydisperse theory itself (as compared to theories for monodisperse systems) or from the discrete approximations of continuous PSDs used in the polydisperse theory. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4744987] C1 [Murray, J. A.; Hrenya, C. M.] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. [Benyahia, S.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Metzger, P.] NASA, Granular Mech & Regolith Operat Lab, Kennedy Space Ctr, FL 32899 USA. RP Hrenya, CM (reprint author), Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. EM hrenya@colorado.edu RI Metzger, Philip/R-3136-2016 OI Metzger, Philip/0000-0002-6871-5358 FU Department of Energy [DE-FC26-07NT43098]; National Aeronautics and Space Administration [NNX09AD07A] FX The authors would like to thank Larry Shadle of the (U.S.) Department of Energy (DOE) NETL for providing the bidisperse gasifier data, Rodney Fox for providing code to obtain the discrete approximations, and Vicente Garzo for fruitful discussions. Also, we are grateful for the funding support by the Department of Energy (DE-FC26-07NT43098) and the National Aeronautics and Space Administration (NNX09AD07A). NR 25 TC 3 Z9 3 U1 1 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD AUG PY 2012 VL 24 IS 8 AR 083303 DI 10.1063/1.4744987 PG 19 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 000VD UT WOS:000308417000026 ER PT J AU Ben Ishai, P Sobol, Z Nickels, JD Agapov, AL Sokolov, AP AF Ben Ishai, P. Sobol, Z. Nickels, J. D. Agapov, A. L. Sokolov, A. P. TI An assessment of comparative methods for approaching electrode polarization in dielectric permittivity measurements SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID COLLOIDAL SUSPENSIONS; BIOLOGICAL-MATERIALS; CELL-SUSPENSIONS; SPECTROSCOPY; IMPEDANCE; DISPERSION; POLYMERS; SPECTRA AB We examine the validity of three common methods for analysis and correction of the electrode polarization (EP) effect in dielectric spectroscopy measurements of conductive liquid samples. The methods considered are (i) algorithmic treatment by modeling the EP behavior at constant phase angle, (ii) varying the size of the electrode gap, and (iii) polypyrrole (PPyPss) layered electrodes. The latter is a relatively recent innovation suggested to be an efficient solution. We demonstrate that PPyPss coated electrodes do not diminish the effect of EP, and even add relaxation processes of its own. Our conclusion is that these polymer coated electrodes are not suitable for the correction of electrode polarization. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4746992] C1 [Ben Ishai, P.; Sobol, Z.] Hebrew Univ Jerusalem, Dept Appl Phys, IL-91904 Jerusalem, Israel. [Ben Ishai, P.; Nickels, J. D.; Agapov, A. L.; Sokolov, A. P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Ben Ishai, P.; Nickels, J. D.; Agapov, A. L.; Sokolov, A. P.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ben Ishai, P.; Nickels, J. D.; Sokolov, A. P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Ben Ishai, P (reprint author), Hebrew Univ Jerusalem, Dept Appl Phys, IL-91904 Jerusalem, Israel. EM Paulb@vms.huji.ac.il RI Ben Ishai, Paul/A-2230-2013; Nickels, Jonathan/I-1913-2012 OI Ben Ishai, Paul/0000-0001-7394-019X; Nickels, Jonathan/0000-0001-8351-7846 NR 36 TC 3 Z9 3 U1 1 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2012 VL 83 IS 8 AR 083118 DI 10.1063/1.4746992 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 000RU UT WOS:000308406500019 PM 22938285 ER PT J AU Coleman, PL Lamppa, DC Madden, RE Wilson-Elliott, K Jones, B Ampleford, DJ Bliss, DE Jennings, C Bixler, A Krishnan, M AF Coleman, P. L. Lamppa, D. C. Madden, R. E. Wilson-Elliott, K. Jones, B. Ampleford, D. J. Bliss, D. E. Jennings, C. Bixler, A. Krishnan, M. TI Development and use of a two-dimensional interferometer to measure mass flow from a multi-shell Z-pinch gas puff SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID DISTRIBUTIONS AB For gas puff Z-pinches, the K-shell x-ray yield is maximized with the use of a multi-shell nozzle. Optimization of the yield, verification of hydrodynamic models of the nozzle flows, and plausible MHD code modeling of the implosions require data on the radial and axial (R,Z) distribution of mass in the nozzle's flow field. Interferometry is a well-established technique for acquiring such data. We describe the development and use of a two-dimensional interferometer with emphasis on the required data reduction methods. We also show that the instrument can derive the flow from each individual nozzle in a multi-shell system. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4746269] C1 [Coleman, P. L.] Evergreen Hill Sci, Philomath, OR 97370 USA. [Lamppa, D. C.; Jones, B.; Ampleford, D. J.; Bliss, D. E.; Jennings, C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Madden, R. E.; Wilson-Elliott, K.; Krishnan, M.] AASC, San Leandro, CA 94577 USA. [Bixler, A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RP Coleman, PL (reprint author), Evergreen Hill Sci, Philomath, OR 97370 USA. FU Sandia National Laboratory, Albuquerque, NM [PO 941521, PO 1031214]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The interferometer and gas puff hardware, built by AASC, were funded by the Sandia National Laboratory, Albuquerque, NM under Contract Nos. PO 941521 and PO 1031214. 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 No. DE-AC04-94AL85000. NR 25 TC 8 Z9 8 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2012 VL 83 IS 8 AR 083116 DI 10.1063/1.4746269 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 000RU UT WOS:000308406500017 PM 22938283 ER PT J AU Johnston, MD Oliver, BV Droemer, DW Frogget, B Crain, MD Maron, Y AF Johnston, Mark D. Oliver, Bryan V. Droemer, Darryl W. Frogget, Brent Crain, Marlon D. Maron, Yitzhak TI Absolute calibration method for nanosecond-resolved, time-streaked, fiber optic light collection, spectroscopy systems SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB This paper describes a convenient and accurate method to calibrate fast (<1 ns resolution) streaked, fiber optic light collection, spectroscopy systems. Such systems are inherently difficult to calibrate due to the lack of sufficiently intense, calibrated light sources. Such a system is used to collect spectral data on plasmas generated in electron beam diodes fielded on the RITS-6 accelerator (8-12MV, 140-200kA) at Sandia National Laboratories. On RITS, plasma light is collected through a small diameter (200 mu m) optical fiber and recorded on a fast streak camera at the output of a 1 meter Czerny-Turner monochromator. For this paper, a 300 W xenon short arc lamp (Oriel Model 6258) was used as the calibration source. Since the radiance of the xenon arc varies from cathode to anode, just the area around the tip of the cathode ("hotspot") was imaged onto the fiber, to produce the highest intensity output. To compensate for chromatic aberrations, the signal was optimized at each wavelength measured. Output power was measured using 10 nm bandpass interference filters and a calibrated photodetector. These measurements give power at discrete wavelengths across the spectrum, and when linearly interpolated, provide a calibration curve for the lamp. The shape of the spectrum is determined by the collective response of the optics, monochromator, and streak tube across the spectral region of interest. The ratio of the spectral curve to the measured bandpass filter curve at each wavelength produces a correction factor (Q) curve. This curve is then applied to the experimental data and the resultant spectra are given in absolute intensity units (photons/sec/cm(2)/steradian/nm). Error analysis shows this method to be accurate to within +/-20%, which represents a high level of accuracy for this type of measurement. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4745385] C1 [Johnston, Mark D.; Oliver, Bryan V.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Droemer, Darryl W.; Frogget, Brent; Crain, Marlon D.] Natl Secur Technol LLC, Las Vegas, NV 89193 USA. [Maron, Yitzhak] Weizmann Inst Sci, IL-76100 Rehovot, Israel. RP Johnston, MD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] 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 DE-AC04-94AL85000. NR 9 TC 0 Z9 0 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2012 VL 83 IS 8 AR 083108 DI 10.1063/1.4745385 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 000RU UT WOS:000308406500009 PM 22938275 ER PT J AU Pablant, NA Bitter, M Delgado-Aparicio, L Goto, M Hill, KW Lazerson, S Morita, S Roquemore, AL Gates, D Monticello, D Nielson, H Reiman, A Reinke, M Rice, JE Yamada, H AF Pablant, N. A. Bitter, M. Delgado-Aparicio, L. Goto, M. Hill, K. W. Lazerson, S. Morita, S. Roquemore, A. L. Gates, D. Monticello, D. Nielson, H. Reiman, A. Reinke, M. Rice, J. E. Yamada, H. TI Layout and results from the initial operation of the high-resolution x-ray imaging crystal spectrometer on the Large Helical Device SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID TEMPERATURE; ION AB First results of ion and electron temperature profile measurements from the x-ray imaging crystal spectrometer (XICS) diagnostic on the Large Helical Device (LHD) are presented. This diagnostic system has been operational since the beginning of the 2011 LHD experimental campaign and is the first application of the XICS diagnostic technique to helical plasma geometry. The XICS diagnostic provides measurements of ion and electron temperature profiles in LHD with a spatial resolution of 2 cm and a maximum time resolution of 5 ms (typically 20 ms). Ion temperature profiles from the XICS diagnostic are possible under conditions where charge exchange recombination spectroscopy (CXRS) is not possible (high density) or is perturbative to the plasma (low density or radio frequency heated plasmas). Measurements are made by using a spherically bent crystal to provide a spectrally resolved 1D image of the plasma from line integrated emission of helium-like Ar16+. The final hardware design and configuration are detailed along with the calibration procedures. Line-integrated ion and electron temperature measurements are presented, and the measurement accuracy is discussed. Finally central temperature measurements from the XICS system are compared to measurements from the Thomson scattering and CXRS systems, showing excellent agreement. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4744935] C1 [Pablant, N. A.; Bitter, M.; Delgado-Aparicio, L.; Hill, K. W.; Lazerson, S.; Roquemore, A. L.; Gates, D.; Monticello, D.; Nielson, H.; Reiman, A.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Goto, M.; Morita, S.; Yamada, H.] Natl Inst Fus Sci, Toki, Gifu 5095292, Japan. [Reinke, M.; Rice, J. E.] MIT, Plasma Sci Fus Ctr, Cambridge, MA 02139 USA. RP Pablant, NA (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. FU U.S. Department of Energy (DOE) under Princeton University [DE-AC02-09CH11466] FX Research supported by the U.S. Department of Energy (DOE) under Contract No. DE-AC02-09CH11466 with Princeton University. NR 19 TC 12 Z9 12 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2012 VL 83 IS 8 AR 083506 DI 10.1063/1.4744935 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 000RU UT WOS:000308406500027 PM 22938293 ER PT J AU Weber, JC Schlager, JB Sanford, NA Imtiaz, A Wallis, TM Mansfield, LM Coakley, KJ Bertness, KA Kabos, P Bright, VM AF Weber, J. C. Schlager, J. B. Sanford, N. A. Imtiaz, A. Wallis, T. M. Mansfield, L. M. Coakley, K. J. Bertness, K. A. Kabos, P. Bright, V. M. TI A near-field scanning microwave microscope for characterization of inhomogeneous photovoltaics SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID CU(IN,GA)SE-2 THIN-FILMS; SOLAR-CELLS; OPTICAL MICROSCOPY; FORCE MICROSCOPE; TUNING FORK; PROBE; EFFICIENCY; RESOLUTION AB We present a near-field scanning microwave microscope (NSMM) that has been configured for imaging photovoltaic samples. Our system incorporates a Pt-Ir tip inserted into an open-ended coaxial cable to form a weakly coupled resonator, allowing the microwave reflection S-11 signal to be measured across a sample over a frequency range of 1 GHz - 5 GHz. A phase-tuning circuit increased impedance-measurement sensitivity by allowing for tuning of the S-11 minimum down to -78 dBm. A bias-T and preamplifier enabled simultaneous, non-contact measurement of the DC tip-sample current, and a tuning fork feedback system provided simultaneous topographic data. Light-free tuning fork feedback provided characterization of photovoltaic samples both in the dark and under illumination at 405 nm. NSMM measurements were obtained on an inhomogeneous, third-generation Cu(In,Ga)Se-2 (CIGS) sample. The S-11 and DC current features were found to spatially broaden around grain boundaries with the sample under illumination. The broadening is attributed to optically generated charge that becomes trapped and changes the local depletion of the grain boundaries, thereby modifying the local capacitance. Imaging provided by the NSMM offers a new RF methodology to resolve and characterize nanoscale electrical features in photovoltaic materials and devices. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4740513] C1 [Weber, J. C.; Schlager, J. B.; Sanford, N. A.; Imtiaz, A.; Wallis, T. M.; Coakley, K. J.; Bertness, K. A.; Kabos, P.] NIST, Boulder, CO 80305 USA. [Weber, J. C.; Bright, V. M.] Univ Colorado, Boulder, CO 80303 USA. [Mansfield, L. M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Kabos, P (reprint author), NIST, Boulder, CO 80305 USA. EM pavel.kabos@nist.gov; victor.bright@colorado.edu NR 48 TC 9 Z9 9 U1 4 U2 40 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2012 VL 83 IS 8 AR 083702 DI 10.1063/1.4740513 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 000RU UT WOS:000308406500032 PM 22938298 ER PT J AU Zhang, L Long, LJ Zhang, WY Du, D Lin, YH AF Zhang, Lin Long, Linjuan Zhang, Weiying Du, Dan Lin, Yuehe TI Study of Inhibition, Reactivation and Aging Processes of Pesticides Using Graphene Nanosheets/Gold Nanoparticles-Based Acetylcholinesterase Biosensor SO ELECTROANALYSIS LA English DT Article DE Acetylcholinesterase biosensor; Graphene-Au nanocomposite; Organophosphates; Carbamates ID ELECTROCHEMICAL BIOSENSORS; GOLD NANOPARTICLES; ORGANOPHOSPHATE; SENSITIVITY; INTERFACE; AGENTS; ASSAY AB Organophosphate (OP) and carbamate pesticides exert their toxicity via attacking the hydroxyl moiety of serine in the 'active site' of acetylcholinesterase (AChE). In this paper we developed a stable AChE biosensor based on self-assembling AChE to graphene nanosheet (GN)-gold nanoparticles (AuNPs) nanocomposite electrode for investigation of inhibition, reactivation and aging processes of different pesticides. It is confirmed that pesticides can inhibit AChE in a short time. OPs poisoning is treatable with oximes while carbarmates exposure is insensitive to oximes. The proposed electrochemical approach thus provides a new simple tool for comparison of pesticide sensitivity and guide of therapeutic intervention. C1 [Zhang, Lin; Long, Linjuan; Du, Dan] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China. [Zhang, Weiying; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Du, D (reprint author), Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China. EM dudan@mail.ccnu.edu.cn; yuehe.lin@pnnl.gov RI Du, Dan (Annie)/G-3821-2012; Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU National Natural Science Foundation of China [21075047]; CCNU from the colleges' basic research and operation of MOE [CCNU11C01002, CCNU10A02005]; Counter ACT Programm; Office of the Director; National Institutes of Health (OD); National Institute of Neurological Disorders and Stroke (NINDS) [U01 NS058161-01]; US-DOE [DE-AC05-76RL01830] FX This work was supported by the National Natural Science Foundation of China (21075047) and the self-determined research funds of CCNU from the colleges' basic research and operation of MOE (CCNU11C01002, CCNU10A02005). Y. Lin acknowledges the financial support by the Counter ACT Programm, Office of the Director, National Institutes of Health (OD) and National Institute of Neurological Disorders and Stroke (NINDS), Grant Number (U01 NS058161-01. The contents of this publication are solely the responsibility of the authors and do not necessarily represent the official views of the NIH. Pacific Northwest National Laboratory is operated by Battelle for US-DOE under Contract DE-AC05-76RL01830. NR 25 TC 14 Z9 15 U1 2 U2 41 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1040-0397 J9 ELECTROANAL JI Electroanalysis PD AUG PY 2012 VL 24 IS 8 BP 1745 EP 1750 DI 10.1002/elan.201200265 PG 6 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 000PD UT WOS:000308398100009 ER PT J AU Settimo, M Abreu, P Aglietta, M Ahlers, M Ahn, EJ Albuquerque, IFM Allard, D Allekotte, I Allen, J Allison, P Almela, A Alvarez Castillo, J Alvarez-Muniz, J Alves Batista, R Ambrosio, M Aminaei, A Anchordoqui, L Andring, S Anticic, T Aramo, C Arqueros, F Asorey, H Assis, P Aublin, J Ave, M Avenier, M Avila, G Badescu, AM Barber, KB Barbosa, AF Bardenet, R Baughman, B Bauml, J Baus, C Beatty, JJ Becker, KH Belletoile, A Bellido, JA BenZvi, S Berat, C Bertou, X Biermann, PL Billoir, P Blanco, F Blanco, M Bleve, C Blumer, H Bohacova, M Boncioli, D Bonifazi, C Bonino, R Boroda, N Brack, J Brancus, I Brogueira, P Brown, WC Bruijn, R Buchholz, P Bueno, A Buroker, L Burton, RE Cabellero-Mora, KS Caccianiga, B Caramete, L Caruso, R Castellina, A Catalano, O Cataldi, G Cazon, L Cester, R Chauvin, J Cheng, SH Chiavassa, A Chinellato, JA Chirinos Diaz, J Chudoba, J Cilmo, M Clay, RW Cocciolo, G Collica, L Coluccia, MR Conceicao, R Contreras, F Cook, H Cooper, MJ Coppens, J Cordier, A Coutu, S Covault, CE Creusot, A Criss, A Cronin, J Curutiu, A Dagoret-Campagne, S Dallier, R Daniel, B Dasso, S Daumiller, K Dawson, BR de Almeida, RM De Domenico, M De Donato, C de Jong, SJ De La Vega, G de Mello Junior, WJM de Mello Neto, JRT De Mitri, I de Souza, V de Vries, KD del Peral, L del Rio, M Deligny, O Dembinski, H Dhital, N Di Giulio, C Diaz Castro, ML Diep, PN Diogo, F Dobrigkeit, C Docters, W D'Olivo, JC Dong, PN Dorofeev, A dos Anjos, JC Dova, MT D'Urso, D Dutan, I Ebr, J Engel, R Erdmann, M Escobar, CO Espadanal, J Etchegoyen, A Facal San Luis, P Falcke, H Fang, K Farrar, G Fauth, AC Fazzini, N Ferguson, AP Fick, B Figueira, JM Filevich, A Filevich, A Fliescher, S Fracchiolla, CE Fraenkel, ED Fratu, O Frohlich, U Fuchs, B Gaior, R Gamarra, RF Gambetta, S Garcia, B Garcia Roca, ST Garcia-Gamez, D Garcia-Pinto, D Garilli, G Gascon Bravo, A Gemmeke, H Ghia, PL Giller, M Gitto, J Glass, H Gold, MS Golup, G Gomez Albarracin, F Gomez Berisso, M Gomez Vitale, PF Goncalves, P Gonzalez, JG Gookin, B Gorgi, A Gouffon, P Grashorn, E Grebe, S Griffith, N Grillo, AF Guardincerri, Y Guarino, F Guedes, GP Hansen, P Harari, D Harrison, TA Harton, JL Haungs, A Hebbeker, T Heck, D Herve, AE Hill, GC Hojvat, C Hollon, N Holmes, VC Homola, P Horandel, JR Horvath, P Hrabovsky, M Huber, D Huege, T Insolia, A Ionita, F Italiano, A Jansen, S Jarne, C Jiraskova, S Josebachuili, M Kadija, K Kampert, KH Karhan, P Kasper, P Katkov, I Kegl, B Keilhauer, B Keivani, A Kelley, JL Kemp, E Kieckhafer, RM Klages, HO Kleifges, M Kleinfeller, J Knapp, J Koang, DH Kotera, K Krohm, N Kromer, O Kruppke-Hansen, D Kuempel, D Kulbartz, JK Kunka, N La Rosa, G Lachaud, C LaHurd, D Latronico, L Lauer, R Lautridou, P Le Coz, S Leao, MSAB Lebrun, D Lebrun, P Leigui de Oliveira, MA Letessier-Selvon, A Lhenry-Yvon, I Link, K Lopez, R Lopez Aguera, A Louedec, K Lozano Bahilo, J Lu, L Lucero, A Ludwig, M Lyberis, H Maccarone, MC Macolino, C Maldera, S Maller, J Mandat, D Mantsch, P Mariazzi, AG Marin, J Marin, V Maris, IC Marquez Falcon, HR Marsella, G Martello, D Martin, L Martinez, H Martinez Bravo, O Martraire, D Masias Meza, JJ Mathes, HJ Matthews, J Matthews, JAJ Matthiae, G Maurel, D Maurizio, D Mazur, PO Medina-Tanco, G Melissas, M Melo, D Menichetti, E Menshikov, A Mertsch, P Messina, S Meurer, C Meyhandan, R Mi'canovi'c, S Micheletti, MI Minaya, IA Miramonti, L Molina-Bueno, L Mollerach, S Monasor, M Monnier Ragaigne, D Montanet, F Morales, B Morello, C Moreno, JC Mostafa, M Moura, CA Muller, MA Muller, G Munchmeyer, M Mussa, R Navarra, G Navarro, JL Navas, S Necesal, P Nellen, L Nelles, A Neuser, J Nhung, PT Niechciol, M Niemietz, L Nierstenhoefer, N Nitz, D Nosek, D Nozka, L Oehlschlager, J Olinto, A Ortiz, M Pacheco, N Pakk Selmi-Dei, D Palatka, M Pallotta, J Palmieri, N Parente, G Parizot, E Parra, A Pastor, S Paul, T Pech, M Pekala, J Pelayo, R Pepe, IM Perrone, L Pesce, R Petermann, E Petrera, S Petrolini, A Petrov, Y Pfendner, C Piegaia, R Pierog, T Pieroni, P Pimenta, M Pirronello, V Platino, M Plum, M Revenu, B Ridky, J Riggi, S Risse, M Ristori, P Rivera, H Rizi, V Roberts, J Rodrigues de Carvalho, W Rodriguez, G Rouille-d'Orfeuil, B Roulet, E Rovero, AC Ruhle, C Saftoiu, A Salamida, F Salazar, H Salesa Greus, F Salina, G Sanchez, F Santo, CE Santos, E Santos, EM Sarazin, F Sarkar, B Sarkar, S Sato, R Scharf, N Scherini, V Schieler, H Schiffer, P Schmidt, A Scholten, O Schoorlemmer, H Schovancova, J Schovanek, P Schroder, F Schuster, D Sciutto, SJ Scuderi, M Segreto, A Settimo, M Shadkam, A Shellard, RC Sidelnik, I Sigl, G Silva Lopez, HH Sima, O Smialkowski, A Smida, R Snow, GR Sommers, P Sorokin, J Spinka, H Squartini, R Srivastava, YN Stanic, S Stapleton, J Stasielak, J Stephan, M Stutz, A Suarez, F Suomijarvi, T Supanitsky, AD Susa, T Sutherland, MS Swain, J Szadkowski, Z Szuba, M Tapia, A Tartare, M Tascau, O Tcaciuc, R Thao, NT Thomas, D Tiffenberg, J Timmermans, C Tkaczyk, W Todero Peixoto, CJ Toma, G Tomankova, L Tome, B Tonachini, A Torralba Elipe, G Travnicek, P Tridapalli, DB Tristram, G Trovato, E Tueros, M Ulrich, R Unger, M Urban, M Valdes Galicia, JF Valino, I Valore, L van Aar, G van den Berg, AM van Velzen, S van Vliet, A Varela, E Vargas Cardenas, B Vazquez, JR Vazquez, RA Veberic, D Verzi, V Vicha, J Videla, M Villasenor, L Wahlberg, H Wahrlich, P Wainberg, O Walz, D Watson, AA Weber, M Weidenhaupt, K Weindl, A Werner, F Westerhoff, S Whelan, BJ Widom, A Wieczorek, G Wiencke, L Wilczynska, B Wilczynski, H Will, M Williams, C Winchen, T Wommer, M Wundheiler, B Yamamoto, T Yapici, T Younk, P Yuan, G Yushkov, A Zamorano Garcia, B Zas, E Zavrtanik, D Zavrtanik, M Zaw, I Zepeda, A Zhou, J Zhu, Y Zimbres Silva, M Ziolkowski, M AF Settimo, Mariangela Abreu, P. Aglietta, M. Ahlers, M. Ahn, E.J. Albuquerque, IFM Allard, D. Allekotte, I. Allen, J. Allison, P. Almela, A. Alvarez Castillo, J. Alvarez-Muiz, J. Alves Batista, R. Ambrosio, M. Aminaei, A Anchordoqui, L. Andring, S. Anticic, T. Aramo, C. Arqueros, F. Asorey, H. Assis, P. Aublin, J. Ave, M. Avenier, M. Avila, G. Badescu, A.M. Barber, K.B. Barbosa, A.F. Bardenet, R. Baughman, B. Bauml, J. Baus, C. Beatty, J.J. Becker, K.H. Belletoile, A. Bellido, J.A. BenZvi, S. Berat, C. Bertou, X. Biermann, P.L. Billoir, P. Blanco, F. Blanco, M. Bleve, C. Blumer, H. Bohacova, M. Boncioli, D. Bonifazi, C. Bonino, R. Boroda, N. Brack, J. Brancus, I. Brogueira, P. Brown, W.C. Bruijn, R. Buchholz, P. Bueno, A. Buroker, L. Burton, R.E. Cabellero-Mora, K.S. Caccianiga, B. Caramete, L. Caruso, R. Castellina, A. Catalano, O. Cataldi, G. Cazon, L. Cester, R. Chauvin, J. Cheng, S.H. Chiavassa, A. Chinellato, J.A. Chirinos Diaz, J. Chudoba, J. Cilmo, M. Clay, R.W. Cocciolo, G. Collica, L. Coluccia, M.R. Conceicao, R. Contreras, F. Cook, H. Cooper, M.J. Coppens, J. Cordier, A. Coutu, S. Covault, C.E. Creusot, A. Criss, A. Cronin, J. Curutiu, A. Dagoret-Campagne, S. Dallier, R. Daniel, B. Dasso, S. Daumiller, K. Dawson, B.R. de Almeida, R.M. De Domenico, M. De Donato, C. de Jong, S.J. De La Vega, G. de Mello Junior, W.J.M. de Mello Neto, J.R.T. De Mitri, I. de Souza, V. de Vries, K.D. del Peral, L. del Rio, M. Deligny, O. Dembinski, H. Dhital, N. Di Giulio, C. Diaz Castro, M.L. Diep, P.N. Diogo, F. Dobrigkeit, C. Docters, W. D'Olivo, J.C. Dong, PN Dorofeev, A. dos Anjos, JC Dova, M.T. D'Urso, D. Dutan, I. Ebr, J. Engel, R. Erdmann, M. Escobar, C.O. Espadanal, J. Etchegoyen, A. Facal San Luis, P. Falcke, H. Fang, K. Farrar, G. Fauth, A.C. Fazzini, N. Ferguson, A.P. Fick, B. Figueira, J.M. Filevich, A. Filevich, A. Fliescher, S. Fracchiolla, C.E. Fraenkel, E.D. Fratu, O. Frohlich, U. Fuchs, B. Gaior, R. Gamarra, R.F. Gambetta, S. Garcia, B. Garcia Roca, S.T. Garcia-Gamez, D. Garcia-Pinto, D. Garilli, G. Gascon Bravo, A. Gemmeke, H. Ghia, P.L. Giller, M. Gitto, J. Glass, H. Gold, M.S. Golup, G. Gomez Albarracin, F. Gomez Berisso, M. Gomez Vitale, P.F. Goncalves, P. Gonzalez, J.G. Gookin, B. Gorgi, A. Gouffon, P. Grashorn, E. Grebe, S. Griffith, N. Grillo, A.F. Guardincerri, Y. Guarino, F. Guedes, G.P. Hansen, P. Harari, D. Harrison, T.A. Harton, J.L. Haungs, A. Hebbeker, T. Heck, D. Herve, A.E. Hill, G.C. Hojvat, C. Hollon, N. Holmes, V.C. Homola, P. Horandel, J.R. Horvath, P. Hrabovsky, M. Huber, D. Huege, T. Insolia, A. Ionita, F. Italiano, A. Jansen, S. Jarne, C. Jiraskova, S. Josebachuili, M. Kadija, K. Kampert, K.H. Karhan, P. Kasper, P. Katkov, I. Kegl, B. Keilhauer, B. Keivani, A. Kelley, J.L. Kemp, E. Kieckhafer, R.M. Klages, H.O. Kleifges, M. Kleinfeller, J. Knapp, J. Koang, D.H. Kotera, K. Krohm, N. Kromer, O. Kruppke-Hansen, D. Kuempel, D. Kulbartz, J.K. Kunka, N. La Rosa, G. Lachaud, C. LaHurd, D. Latronico, L. Lauer, R. Lautridou, P. Le Coz, S. Leao, M.S.A.B. Lebrun, D. Lebrun, P. Leigui de Oliveira, M.A. Letessier-Selvon, A. Lhenry-Yvon, I. Link, K. Lopez, R. Lopez Aguera, A. Louedec, K. Lozano Bahilo, J. Lu, L. Lucero, A. Ludwig, M. Lyberis, H. Maccarone, M.C. Macolino, C. Maldera, S. Maller, J. Mandat, D. Mantsch, P. Mariazzi, A.G. Marin, J. Marin, V. Maris, I.C. Marquez Falcon, H.R. Marsella, G. Martello, D. Martin, L. Martinez, H. Martinez Bravo, O. Martraire, D. Masias Meza Mathes, H.J. Matthews, J. Matthews, J.A.J. Matthiae, G. Maurel, D. Maurizio, D. Mazur, P.O. Medina-Tanco, G. Melissas, M. Melo, D. Menichetti, E. Menshikov, A. Mertsch, P. Messina, S. Meurer, C. Meyhandan, R. Mi'canovi'c, S. Micheletti, M.I. Minaya, I.A. Miramonti, L. Molina-Bueno, L. Mollerach, S. Monasor, M. Monnier Ragaigne, D. Montanet, F. Morales, B. Morello, C. Moreno, J.C. Mostafa, M. Moura, C.A. Muller, M.A. Muller, G. Munchmeyer, M. Mussa, R. Navarra, G. Navarro, J.L. Navas, S. Necesal, P. Nellen, L. Nelles, A. Neuser, J. Nhung, P.T. Niechciol, M. Niemietz, L. Nierstenhoefer, N. Nitz, D. Nosek, D. Nozka, L. Oehlschlager, J. Olinto, A. Ortiz, M. Pacheco, N. Pakk Selmi-Dei, D. Palatka, M. Pallotta, J. Palmieri, N. Parente, G. Parizot, E. Parra, A. Pastor, S. Paul, T. Pech, M. Pekala, J. Pelayo, R. Pepe, I.M. Perrone, L. Pesce, R. Petermann, E. Petrera, S. Petrolini, A. Petrov, Y. Pfendner, C. Piegaia, R. Pierog, T. Pieroni, P. Pimenta, M. Pirronello, V. Platino, M. Plum, M. Revenu, B. Ridky, J. Riggi, S. Risse, M. Ristori, P. Rivera, H. Rizi, V. Roberts, J. Rodrigues de Carvalho, W. Rodriguez, G. Rouille-d'Orfeuil, B. Roulet, E. Rovero, A.C. Ruhle, C. Saftoiu, A. Salamida, F. Salazar, H. Salesa Greus, F. Salina, G. Sanchez, F. Santo, C.E. Santos, E. Santos, E.M. Sarazin, F. Sarkar, B. Sarkar, S. Sato, R. Scharf, N. Scherini, V. Schieler, H. Schiffer, P. Schmidt, A. Scholten, O. Schoorlemmer, H. Schovancova, J. Schovanek, P. Schroder, F. Schuster, D. Sciutto, S.J. Scuderi, M. Segreto, A. Settimo, M. Shadkam, A. Shellard, R.C. Sidelnik, I. Sigl, G. Silva Lopez, H.H. Sima, O. Smialkowski, A. Smida, R. Snow, G.R. Sommers, P. Sorokin, J. Spinka, H. Squartini, R. Srivastava, Y.N. Stanic, S. Stapleton, J. Stasielak, J. Stephan, M. Stutz, A. Suarez, F. Suomijarvi, T. Supanitsky, A.D. Susa, T. Sutherland, M.S. Swain, J. Szadkowski, Z. Szuba, M. Tapia, A. Tartare, M. Tascau, O. Tcaciuc, R. Thao, N.T. Thomas, D. Tiffenberg, J. Timmermans, C. Tkaczyk, W. Todero Peixoto, C.J. Toma, G. Tomankova, L. Tome, B. Tonachini, A. Torralba Elipe, G. Travnicek, P. Tridapalli, D.B. Tristram, G. Trovato, E. Tueros, M. Ulrich, R. Unger, M. Urban, M. Valdes Galicia, J.F. Valino, I. Valore, L. van Aar, G. van den Berg, A.M. van Velzen, S. van Vliet, A. Varela, E. Vargas Cardenas, B. Vazquez, JR Vazquez, R.A. Veberic, D. Verzi, V. Vicha, J. Videla, M. Villasenor, L. Wahlberg, H. Wahrlich, P. Wainberg, O. Walz, D. Watson, A.A. Weber, M. Weidenhaupt, K. Weindl, A. Werner, F. Westerhoff, S. Whelan, B.J. Widom, A. Wieczorek, G. Wiencke, L. Wilczynska, B. Wilczynski, H. Will, M. Williams, C. Winchen, T. Wommer, M. Wundheiler, B. Yamamoto, T. Yapici, T. Younk, P. Yuan, G. Yushkov, A. Zamorano Garcia, B. Zas, E. Zavrtanik, D. Zavrtanik, M. Zaw, I. Zepeda, A. Zhou, J. Zhu, Y. Zimbres Silva, M. Ziolkowski, M. CA Pierre Auger Collaboration TI Measurement of the cosmic ray energy spectrum using hybrid events of the Pierre Auger Observatory SO EUROPEAN PHYSICAL JOURNAL PLUS LA English DT Article ID EXTENSIVE AIR-SHOWERS; FLUORESCENCE DETECTOR; SURFACE DETECTOR; SIMULATION; ARRAY; RECONSTRUCTION; PROFILES; TRIGGER AB The energy spectrum of ultra-high energy cosmic rays above 10(18)eV is measured using the hybrid events collected by the Pierre Auger Observatory between November 2005 and September 2010. The large exposure of the Observatory allows the measurement of the main features of the energy spectrum with high statistics. Full Monte Carlo simulations of the extensive air showers (based on the CORSIKA code) and of the hybrid detector response are adopted here as an independent cross check of the standard analysis (Phys. Lett. B 685, 239 (2010)). The dependence on mass composition and other systematic uncertainties are discussed in detail and, in the full Monte Carlo approach, a region of confidence for flux measurements is defined when all the uncertainties are taken into account. An update is also reported of the energy spectrum obtained by combining the hybrid spectrum and that measured using the surface detector array. C1 [Settimo, Mariangela] Univ Siegen, Siegen, Germany. [Settimo, Mariangela] Univ Salento, Dipartimento Matemat & Fis Ennio De Giorgi, Lecce, Italy. [Pierre Auger Collaboration] Observ Pierre Auger, Malargue, Argentina. [Allekotte, I.] Ctr Atom Bariloche, San Carlos de Bariloche, Argentina. Inst Balseiro, CNEA UNCuyo CONICET, San Carlos de Bariloche, Argentina. CITEDEF, Ctr Invest Laseres & Aplicac, Buenos Aires, DF, Argentina. Consejo Nacl Invest Cient & Tecn, Buenos Aires, DF, Argentina. Consejo Nacl Invest Cient & Tecn, Buenos Aires, DF, Argentina. Univ Buenos Aires, FCEyN, Dept Fis, Buenos Aires, DF, Argentina. Univ Nacl La Plata, IFLP, La Plata, Argentina. Consejo Nacl Invest Cient & Tecn, La Plata, Argentina. CONICET UBA, Inst Astron & Fis Espacio, Buenos Aires, DF, Argentina. CONICET UNR, IFIR, Rosario, Argentina. UNR, Fac Ciencias Bioquim & Farmaceut, Rosario, Argentina. [Almela, A.] UNSAM, CONICET, CNEA, Inst Tecnol Detecc & Astroparticules, Buenos Aires, DF, Argentina. Natl Technol Univ, Fac Mendoza, CONICET CNEA, Mendoza, Argentina. Observ Pierre Auger, Malargue, Argentina. Observ Pierre Auger, Malargue, Argentina. Comis Nacl Energia Atom, Malargue, Argentina. [Almela, A.] Univ Tecnol Nacl, Fac Reg Buenos Aires, Buenos Aires, DF, Argentina. Univ Adelaide, Adelaide, SA, Australia. Ctr Brasileiro Pesquisas Fis, Rio de Janeiro, Brazil. [Albuquerque, IFM] Univ Sao Paulo, Inst Fis, Sao Carlos, SP, Brazil. [Alves Batista, R.] Univ Estadual, IFGW, Campinas, SP, Brazil. Univ Estadual de Feira de Santana, Santana, Brazil. Univ Fed da Bahia, Salvador, BA, Brazil. Univ Fed do ABC, Santo Andre, SP, Brazil. Univ Fed Rio de Janeiro, Inst Fis, Rio De Janeiro, RJ, Brazil. Univ Fed Fluminense, EEIMVR, Volta Redonda, RJ, Brazil. [Anticic, T.] Rudjer Boskovis Inst, Zagreb 10000, Croatia. Charles Univ Prague, Fac Math & Phys, Inst Particle & Nucl Phys, Prague, Czech Republic. Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. Palacky Univ, RCPTM, Olomouc, Czech Republic. [Salamida, F.] Univ Paris 11, Inst Phys Nucl Orsay IPNO, CNRS IN2P3, Orsay, France. [Allard, D.] Univ Paris 07, Lab AstroParticlue & Cosmol, CNRS IN2P3, Orsay, France. Univ Paris 11, Lab Accelerateur Lineaire LAL, CNRS IN2P3, Orsay, France. Univ Paris 6 & Paris 7, Lab Phsy Nucl & Hautes Energies LPNHE, CNRS IN2P3, Paris, France. Univ Joseph Fourier Grenoble, LPSC, CNRS IN2P3, Grenoble INP, France. Observ Paris, Stn Radioastron Nancay, CNRS IN2P3, Paris, France. Berg Univ Wuppertal, Wuppertal, Germany. Karlsruhe Inst Technol, Inst Kernphys, Karlsruhe, Germany. Karlsruhe Inst Technol, Inst Prozessdatenverarbeitung & Elektron, Karlsruhe, Germany. Karlsruhe Inst Technol, Inst Exptl Kernphys IEKP, Karlsruhe, Germany. Max Planck Inst Radioastron, Bonn, Germany. RWTH Aachen Univ III, Phys Inst A, Aachen, Germany. Univ Hamburg, Hamburg, Germany. Univ Genoa, Dipartimento Fis, Genoa, Italy. Ist Nazl Fis Nucl, Genoa, Italy. Univ Aquila, Laquila, Italy. Ist Nazl Fis Nucl, Laquila, Italy. Univ Milan, Milan, Italy. Sezione Ist Nazl Fis Nucl, Milan, Italy. [Ambrosio, M.; Aramo, C.] Univ Napoli Federico II, Naples, Italy. [Ambrosio, M.; Aramo, C.] Sezione Ist Nazl Fis Nucl, Naples, Italy. Univ Roma II Tor Vergata, Rome, Italy. Sezione Ist Nazl Fis Nucl, Rome, Italy. Univ Catania, Catania, Italy. Sezione Ist Nazl Fis Nucl, Catania, Italy. Univ Turin, Turin, Italy. Sezione Ist Nazl Fis Nucl, Turin, Italy. Univ Salento, Dipartimento Matemat & Fis E De Giorgi, Lecce, Italy. Sezione Ist Nazl Fis Nucl, Lecce, Italy. INAF, Inst Astrofis Spaziale & Fis Cosm Palermo, Palermo, Italy. [Aglietta, M.] Univ Turin, Ist Fis Spazio Interplanetario INAF, Turin, Italy. [Aglietta, M.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, Assergi, Lquila, Italy. Benemerita Univ Autonoma Puebla, Puebla, Mexico. IPN, CINVESTAV, Mexico City, DF, Mexico. Univ Michoacana, Morelia, Michoacan, Mexico. [Alvarez Castillo, J.] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [Aminaei, A] Radboud Univ Nijmegen, IMAPP, Nijmegen, Netherlands. Univ Groningen, Kernfys Versneller Inst, Groningen, Netherlands. Nikhef, Sci Pk, Amsterdam, Netherlands. ASTRON, Dwingeloo, Netherlands. PAN, Inst Nucl Phys, Krakow, Poland. Univ Lodz, Lodz, Poland. [Abreu, P.; Andring, S.] Univ Tecn Lisboa, LIP, Lisbon, Portugal. [Abreu, P.; Andring, S.] Univ Tecn Lisboa, Inst Super Tecn, Lisbon, Portugal. Horia Hulubei Natl Inst Phys & Nucl Engn, Bucharest Maguerele, Romania. Univ Bucharest, Dept Phys, Bucharest, Romania. Univ Politehn Bucuresti, Bucharest, Romania. J Stefan Inst, Ljubljana, Slovenia. Univ Nova Gorica, Lab Astrophys, Nova Gorica, Slovenia. Univ Valencia, CSIC, Inst Fis Corpuscular, Valencia, Spain. Univ Complutense Madrid, Madrid, Spain. Univ Alcala De Henares, Alcala De Henares, Madrid, Spain. Univ Granada, Granada, Spain. CAFPE, Granada, Spain. [Alvarez-Muiz, J.] Univ Santiago de Compostela, Santiago De Compostela, Spain. Univ Oxford, Rudolf Peierls Ctr Theoret Phys, Oxford, England. Univ Leeds, Sch Phys & Astron, Leeds, W Yorkshire, England. Argonne Natl Lab, Argonne, IL USA. Case Western Reserve Univ, Cleveland, OH USA. Colorado Sch Mines, Golden, CO USA. Colorado State Univ, Ft Collins, CO USA. Colorado State Univ, Pueblo, CO USA. [Ahn, E.J.] Fermilab Natl Accelerator Lab, Batavia, IL USA. Los Alamos Natl Lab, Los Alamos, NM USA. Louisiana State Univ, Baton Rouge, LA USA. Michigan Technol Univ, Houghton, MI USA. [Allen, J.] NYU, New York, NY USA. Northeastern Univ, Boston, MA USA. [Allison, P.] Ohio State Univ, Columbus, OH USA. Penn State Univ, University Pk, PA USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL USA. Univ Hawaii, Honolulu, HI USA. Univ Nebraska, Lincoln, NE USA. Univ New Mexico, Albuquerque, NM USA. Univ Wisconsin, Madison, WI USA. [Ahlers, M.; Anchordoqui, L.] Univ Wisconsin, Milwaukee, WI USA. Inst Nucl Sci & Technol INST, Hanoi, Vietnam. RP Settimo, M (reprint author), Univ Siegen, Siegen, Germany. EM settimo@hep.physik.uni-siegen.de RI Pastor, Sergio/J-6902-2014; Tome, Bernardo/J-4410-2013; Espirito Santo, Maria Catarina/L-2341-2014; Pimenta, Mario/M-1741-2013; Brogueira, Pedro/K-3868-2012; Sima, Octavian/C-3565-2011; Di Giulio, Claudio/B-3319-2015; Bueno, Antonio/F-3875-2015; Albuquerque, Ivone/H-4645-2012; Parente, Gonzalo/G-8264-2015; Alvarez-Muniz, Jaime/H-1857-2015; Pech, Miroslav/G-5760-2014; Bohacova, Martina/G-5898-2014; Cazon, Lorenzo/G-6921-2014; Schovanek, Petr/G-7117-2014; Ebr, Jan/H-8319-2012; Vicha, Jakub/G-8440-2014; Travnicek, Petr/G-8814-2014; Smida, Radomir/G-6314-2014; Ridky, Jan/H-6184-2014; Chudoba, Jiri/G-7737-2014; Horvath, Pavel/G-6334-2014; Garcia Pinto, Diego/J-6724-2014; Goncalves, Patricia /D-8229-2013; Assis, Pedro/D-9062-2013; Prouza, Michael/F-8514-2014; Mandat, Dusan/G-5580-2014; Chinellato, Jose Augusto/I-7972-2012; de souza, Vitor/D-1381-2012; Anjos, Joao/C-8335-2013; Fauth, Anderson/F-9570-2012; Caramete, Laurentiu/C-2328-2011; Nierstenhofer, Nils/H-3699-2013; Pakk Selmi-Dei, Daniel/H-2675-2013; Badescu, Alina/B-6087-2012; Todero Peixoto, Carlos Jose/G-3873-2012; dos Santos, Eva/N-6351-2013; Blanco, Francisco/F-1131-2015; Conceicao, Ruben/L-2971-2014; Sao Carlos Institute of Physics, IFSC/USP/M-2664-2016; Beatty, James/D-9310-2011; Guarino, Fausto/I-3166-2012; Bonino, Raffaella/S-2367-2016; Rodriguez Frias, Maria /A-7608-2015; Alves Batista, Rafael/K-6642-2012; Rodriguez Fernandez, Gonzalo/C-1432-2014; Nosek, Dalibor/F-1129-2017; De Domenico, Manlio/B-5826-2014; Lozano-Bahilo, Julio/F-4881-2016; scuderi, mario/O-7019-2014; zas, enrique/I-5556-2015; Sarkar, Subir/G-5978-2011; Chinellato, Carola Dobrigkeit /F-2540-2011; Arqueros, Fernando/K-9460-2014; Moura Santos, Edivaldo/K-5313-2016; Gouffon, Philippe/I-4549-2012; de Almeida, Rogerio/L-4584-2016; Navas, Sergio/N-4649-2014; Rosado, Jaime/K-9109-2014; Valino, Ines/J-8324-2012; Torralba Elipe, Guillermo/A-9524-2015; Carvalho Jr., Washington/H-9855-2015; Espadanal, Joao/I-6618-2015; De Donato, Cinzia/J-9132-2015; Vazquez, Jose Ramon/K-2272-2015; Martello, Daniele/J-3131-2012; Insolia, Antonio/M-3447-2015; Petrolini, Alessandro/H-3782-2011; de Mello Neto, Joao/C-5822-2013; OI Tome, Bernardo/0000-0002-7564-8392; Espirito Santo, Maria Catarina/0000-0003-1286-7288; Pimenta, Mario/0000-0002-2590-0908; Brogueira, Pedro/0000-0001-6069-4073; Di Giulio, Claudio/0000-0002-0597-4547; Bueno, Antonio/0000-0002-7439-4247; Albuquerque, Ivone/0000-0001-7328-0136; Parente, Gonzalo/0000-0003-2847-0461; Alvarez-Muniz, Jaime/0000-0002-2367-0803; Cazon, Lorenzo/0000-0001-6748-8395; Ebr, Jan/0000-0001-8807-6162; Ridky, Jan/0000-0001-6697-1393; Horvath, Pavel/0000-0002-6710-5339; Garcia Pinto, Diego/0000-0003-1348-6735; Goncalves, Patricia /0000-0003-2042-3759; Assis, Pedro/0000-0001-7765-3606; Prouza, Michael/0000-0002-3238-9597; Chinellato, Jose Augusto/0000-0002-3240-6270; Fauth, Anderson/0000-0001-7239-0288; Todero Peixoto, Carlos Jose/0000-0003-3669-8212; dos Santos, Eva/0000-0002-0474-8863; de Jong, Sijbrand/0000-0002-3120-3367; Sigl, Guenter/0000-0002-4396-645X; Navarro Quirante, Jose Luis/0000-0002-9915-1735; Settimo, Mariangela/0000-0002-1953-3152; Mantsch, Paul/0000-0002-8382-7745; Cataldi, Gabriella/0000-0001-8066-7718; Blanco, Francisco/0000-0003-4332-434X; Conceicao, Ruben/0000-0003-4945-5340; Beatty, James/0000-0003-0481-4952; Guarino, Fausto/0000-0003-1427-9885; Rodriguez Frias, Maria /0000-0002-2550-4462; Alves Batista, Rafael/0000-0003-2656-064X; Rodriguez Fernandez, Gonzalo/0000-0002-4683-230X; Nosek, Dalibor/0000-0001-6219-200X; De Domenico, Manlio/0000-0001-5158-8594; Lozano-Bahilo, Julio/0000-0003-0613-140X; scuderi, mario/0000-0001-9026-5317; zas, enrique/0000-0002-4430-8117; Sarkar, Subir/0000-0002-3542-858X; Chinellato, Carola Dobrigkeit /0000-0002-1236-0789; Arqueros, Fernando/0000-0002-4930-9282; Moura Santos, Edivaldo/0000-0002-2818-8813; Gouffon, Philippe/0000-0001-7511-4115; de Almeida, Rogerio/0000-0003-3104-2724; Navas, Sergio/0000-0003-1688-5758; Rosado, Jaime/0000-0001-8208-9480; Valino, Ines/0000-0001-7823-0154; Torralba Elipe, Guillermo/0000-0001-8738-194X; Carvalho Jr., Washington/0000-0002-2328-7628; Espadanal, Joao/0000-0002-1301-8061; De Donato, Cinzia/0000-0002-9725-1281; Vazquez, Jose Ramon/0000-0001-9217-5219; Martello, Daniele/0000-0003-2046-3910; Insolia, Antonio/0000-0002-9040-1566; Petrolini, Alessandro/0000-0003-0222-7594; de Mello Neto, Joao/0000-0002-3234-6634; Del Peral, Luis/0000-0003-2580-5668; Mertsch, Philipp/0000-0002-2197-3421; Zamorano, Bruno/0000-0002-4286-2835; Ulrich, Ralf/0000-0002-2535-402X; Dembinski, Hans/0000-0003-3337-3850 FU Comision Nacional de Energia Atomica; Fundacion Antorchas; Gobierno De La Provincia de Mendoza; Municipalidad de Malargue; NDM Holdings and Valle Las Lenas; Argentina; Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Financiadora de Estudos e Projetos (FINEP); Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ); Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP); Ministerio de Ciencia e Tecnologia (MCT), Brazil; AVCR [AV0Z10100502, AV0Z10100522]; GAAV [KJB100100904]; MSMT-CR [LA08016, LG11044, MEB111003, MSM0021620859, LA08015]; TACR, Czech Republic [TA01010517]; Centre de Calcul IN2P3/CNRS; Centre National de la Recherche Scientifique (CNRS); Conseil Regional Ile-de-France; Departement Physique Nucleaire et Corpusculaire [PNC-IN2P3/CNRS]; Departement Sciences de l'Univers (SDU-INSU/CNRS), France; Bundesministerium fur Bildung und Forschung (BMBF); Deutsche Forschungsgemeinschaft (DFG); Finanzministerium Baden-Wurttemberg, Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF); Ministerium fur Wissenschaft und Forschung; Nordrhein-Westfalen; Ministerium fur Wissenschaft; Forschung und Kunst; Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN); Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR), Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs; Cultuur en Wetenschap; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO); Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; Ministry of Science and Higher Education, Poland [N N202 200239, N N202 207238]; Portuguese national funds and FEDER funds within COMPETE - Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia, Portugal; Ministry for Higher Education, Science, and Technology, Slovenian Research Agency, Slovenia; Comunidad de Madrid, Consejeria de Educacion de la Comunidad de Castilla La Mancha; FEDER funds; Ministerio de Ciencia e Innovacion and Consolider-Ingenio; Xunta de Galicia, Spain; Science and Technology Facilities Council, United Kingdom; Department of Energy [DE-AC02-07CH11359, DE-FR02-04ER41300]; National Science Foundation [0450696]; Grainger Foundation USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET; European Particle Physics Latin American Network; European Union [PIRSES-2009-GA-246806]; UNESCO FX We are very grateful to the following agencies and organizations for financial support: Comision Nacional de Energia Atomica, Fundacion Antorchas, Gobierno De La Provincia de Mendoza, Municipalidad de Malargue, NDM Holdings and Valle Las Lenas, in gratitude for their continuing cooperation over land access, Argentina; the Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP), Ministerio de Ciencia e Tecnologia (MCT), Brazil; AVCR AV0Z10100502 and AV0Z10100522, GAAV KJB100100904, MSMT-CR LA08016, LG11044, MEB111003, MSM0021620859, LA08015 and TACR TA01010517, Czech Republic; Centre de Calcul IN2P3/CNRS, Centre National de la Recherche Scientifique (CNRS), Conseil Regional Ile-de-France, Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS), Departement Sciences de l'Univers (SDU-INSU/CNRS), France; Bundesministerium fur Bildung und Forschung (BMBF), Deutsche Forschungsgemeinschaft (DFG), Finanzministerium Baden-Wurttemberg, Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF), Ministerium fur Wissenschaft und Forschung, Nordrhein-Westfalen, Ministerium fur Wissenschaft, Forschung und Kunst, Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN), Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR), Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap, Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; Ministry of Science and Higher Education, Grant Nos. N N202 200239 and N N202 207238, Poland; Portuguese national funds and FEDER funds within COMPETE - Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia, Portugal; Ministry for Higher Education, Science, and Technology, Slovenian Research Agency, Slovenia; Comunidad de Madrid, Consejeria de Educacion de la Comunidad de Castilla La Mancha, FEDER funds, Ministerio de Ciencia e Innovacion and Consolider-Ingenio 2010 (CPAN), Xunta de Galicia, Spain; Science and Technology Facilities Council, United Kingdom; Department of Energy, Contract Nos. DE-AC02-07CH11359, DE-FR02-04ER41300, National Science Foundation, Grant No. 0450696, The Grainger Foundation USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET, European Particle Physics Latin American Network, European Union 7th Framework Program, Grant No. PIRSES-2009-GA-246806; and UNESCO. NR 65 TC 15 Z9 15 U1 2 U2 51 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 2190-5444 J9 EUR PHYS J PLUS JI Eur. Phys. J. Plus PD AUG PY 2012 VL 127 IS 8 AR 87 DI 10.1140/epjp/i2012-12087-9 PG 15 WC Physics, Multidisciplinary SC Physics GA 006NR UT WOS:000308826400004 ER PT J AU Foster, ME Wong, BM AF Foster, Michael E. Wong, Bryan M. TI Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ENERGIES AB Using a nonempirically tuned range-separated DFT approach, we study both the quasiparticle properties (HOMO-LUMO fundamental gaps) and excitation energies of DNA and RNA nucleobases (adenine, thymine, cytosine, guanine, and uracil). Our calculations demonstrate that a physically motivated, first principles tuned DFT approach accurately reproduces results from both experimental benchmarks and more computationally intensive techniques such as many body GW theory. Furthermore, in the same set of nucleobases, we show that the nonempirical range separated procedure also leads to significantly improved results for excitation energies compared to conventional DFT methods. The present results emphasize the importance of a nonempirically tuned range separation approach for accurately predicting both fundamental and excitation gaps in DNA and RNA nucleobases. C1 [Foster, Michael E.; Wong, Bryan M.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. RP Wong, BM (reprint author), Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. EM bmwong@sandia.gov RI Wong, Bryan/B-1663-2009 OI Wong, Bryan/0000-0002-3477-8043 FU Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories; United States Department of Energy [DEAC04-94AL85000] FX We thank Dr. Carina Faber and Dr. Xavier Blase for providing us with the Cartesian coordinates of the nucleobases studied here. B.M.W. acknowledges Dr. Pamela H. Li for her 30 years of stimulating ideas and inspiring discussions. Funding for this effort was provided by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DEAC04-94AL85000. NR 27 TC 65 Z9 65 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD AUG PY 2012 VL 8 IS 8 BP 2682 EP 2687 DI 10.1021/ct300420f PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 988GZ UT WOS:000307478800016 ER PT J AU Reinisch, G Miki, K Vignoles, GL Wong, BM Simmons, CS AF Reinisch, Guillaume Miki, Kenji Vignoles, Gerard L. Wong, Bryan M. Simmons, Chris S. TI An Efficient and Accurate Formalism for the Treatment of Large Amplitude Intramolecular Motion SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID TRANSITION-STATE THEORY; POTENTIAL-ENERGY SURFACES; VARIABLE REACTION COORDINATE; CHEMICAL-REACTIONS; FORCE-FIELD; MOLECULES; SYSTEM; APPROXIMATION; SIMULATIONS; TEMPERATURE AB We propose a general approach to describe large amplitude motions (LAM) with multiple degrees of freedom (DOF) in molecules or reaction intermediates, which is useful for the computation of thermochemical or kinetic data. The kinetic part of the LAM Lagrangian is derived using a Z-matrix internal coordinate representation within a new numerical procedure. This derivation is exact for a classical system, and the uncertainties on the prediction of observable quantities largely arise from uncertainties on the LAM potential energy surface (PES) itself. In order to rigorously account for these uncertainties, we present an approach based on Bayesian theory to infer a parametrized physical model of the PES using ab initio calculations.. This framework allows for quantification of uncertainties associated with a PES model as well as the forward propagation of these uncertainties to the quantity of interest. A selection and generalization of some treatments accounting for the coupling of the LAM with other internal or external DOF are also presented. Finally, we discuss and validate the approach with two applications: the calculation. of the partition function of 1,3 butadiene and the calculation of the high-pressure reaction rate of the CH3 + H -> CH4 recombination. C1 [Reinisch, Guillaume; Miki, Kenji; Simmons, Chris S.] Univ Texas Austin, Inst Computat Engn & Sci, Predict Engn & Computat Sci PECOS, Austin, TX 78712 USA. [Vignoles, Gerard L.] Univ Bordeaux 1, Lab Thermostruct Composites LCTS, UMR CNRS SNECMA CEA UB1 5801, F-33600 Pessac, France. [Wong, Bryan M.] Sandia Natl Labs, Sandia Mat Chem Dept, Livermore, CA 94551 USA. RP Reinisch, G (reprint author), Univ Texas Austin, Inst Computat Engn & Sci, Predict Engn & Computat Sci PECOS, Austin, TX 78712 USA. EM guillaume@ices.utexas.edu RI Wong, Bryan/B-1663-2009; VIGNOLES, Gerard/A-2406-2013 OI Wong, Bryan/0000-0002-3477-8043; VIGNOLES, Gerard/0000-0003-1606-6867 NR 65 TC 4 Z9 4 U1 2 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD AUG PY 2012 VL 8 IS 8 BP 2713 EP 2724 DI 10.1021/ct300278x PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 988GZ UT WOS:000307478800020 ER PT J AU Rutqvist, J Moridis, GJ Grover, T Silpngarmlert, S Collett, TS Holdich, SA AF Rutqvist, J. Moridis, G. J. Grover, T. Silpngarmlert, S. Collett, T. S. Holdich, S. A. TI Coupled multiphase fluid flow and wellbore stability analysis associated with gas production from oceanic hydrate-bearing sediments SO JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING LA English DT Article DE Hydrates; Geomechanics; Modeling; Well stability; Gas production; Subsidence ID DEPOSITS AB We conducted numerical modeling of coupled multiphase fluid-flow, thermal, and geomechanical processes during gas production from an oceanic hydrate deposit to study the geomechanical performance and wellbore stability. We investigated two alternative cases of depressurization-induced gas production: (1) production from horizontal wells in a Class 3 deposit (a hydrate layer sandwiched between two low-permeability layers): and (2) production from vertical wells in a Class 2 deposit (a hydrate layer with an underlying zone of mobile water). The analysis showed that geomechanical responses around the wellbore are driven by reservoir-wide pressure depletion, which in turn, depends on production rate and pressure decline at the wellbore. The calculated vertical compaction of the relatively soft sediments and increased shear stress caused local yielding of the formation around the well assembly for both the horizontal and vertical well cases. However, the analysis also showed that the extent of the yield zone can be reduced if using overbalanced drilling (at an internal well pressure above the formation fluid pressure) and well completion that minimizes any annular gap between the well assembly and the formation. Our further analysis indicated that the most extensive yield zone would occur around the perforated production interval of a vertical well, where the pressure gradient is the highest. In the field, such yielding and shearing of the sediments could lead to enhanced sand production if not prevented with appropriate sand control technology. Moreover, our analysis shows that the vertical compaction of the reservoir can be substantial, with subsidence on the order of several meters and vertical compaction strain locally exceeding 10%. In the field, such substantial compaction strain will require appropriate well design (such as slip joints or heavy wall casing) to avoid tensile or buckling failure of the well assembly. Published by Elsevier B.V. C1 [Rutqvist, J.; Moridis, G. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Grover, T.; Holdich, S. A.] Texas A&M Univ, Dept Petr Engn, College Stn, TX 77843 USA. [Silpngarmlert, S.] Conoco Phillips, Houston, TX 77252 USA. [Collett, T. S.] US Geol Survey, Denver Fed Ctr, Denver, CO 80225 USA. RP Rutqvist, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, MS 90-1116, Berkeley, CA 94720 USA. EM jrutqvist@lbl.gov RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 FU Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, under the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, under the US Department of Energy, Contract no. DE-AC02-05CH11231. The authors extend their thanks and appreciation to Dan Hawkes, Matthew Reagan and John Apps for their careful review and their helpful comments. NR 22 TC 13 Z9 13 U1 9 U2 63 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-4105 J9 J PETROL SCI ENG JI J. Pet. Sci. Eng. PD AUG PY 2012 VL 92-93 BP 65 EP 81 DI 10.1016/j.petrol.2012.06.004 PG 17 WC Energy & Fuels; Engineering, Petroleum SC Energy & Fuels; Engineering GA 005VS UT WOS:000308778800008 ER PT J AU Kim, J Moridis, GJ Rutqvist, J AF Kim, Jihoon Moridis, George J. Rutqvist, Jonny TI Coupled flow and geomechanical analysis for gas production in the Prudhoe Bay Unit L-106 well Unit C gas hydrate deposit in Alaska SO JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING LA English DT Article DE hydrate deposits; poromechanics; geological stability; wellbore stability; geomechanics; gas hydrates ID FLUID-FLOW; SEQUENTIAL-METHODS; METHANE HYDRATE; STABILITY; RESERVOIR; SEDIMENT; CONSOLIDATION; CONVERGENCE; ACCURACY; BEHAVIOR AB We perform numerical simulation for the gas hydrate reservoir, in the vicinity of Prudhoe Bay Unit L-Pad on the North Slope (i.e., Unit C in the PBU-L 106 site), considering vertical and horizontal well production scenarios. In order to analyze coupled flow and geomechanics more rigorously we employ two-way coupling between fluid flow and geomechanics, and compare the results with those from one-way coupling used in previous studies, where two-way coupling accounts for changes in pore volume induced by geomechanics, while one-way coupling does not. We find clear differences in the variables of flow and geomechanics between one-way and two-way couplings in this field case (e.g., pressure and effective stress). Using geomechanical properties used previously for the PBU-L 106 C unit, we find that the effective stresses are within the elastic region, located away from the Mohr-Coulomb yield function for both vertical and horizontal well production scenarios. This indicates that there is little danger in geomechanical instability and failure. We also investigate vertical displacement to assess well stability, using two-way coupling. The results from the vertical well scenario show small vertical displacement, from which we anticipate that the vertical well will be stable and safe. On the other hand, the horizontal well scenario causes larger subsidence for a given simulation time because of higher production rates. Even in the case that the hydrates are completely dissociated and the aqueous phase pressure is equilibrated with the constant bottom hole pressure, the estimates of the maximum vertical displacement and strain are 73 cm and 2%, respectively, which do not appear to be a danger of potential well failure. Based on the results and analyses, the horizontal well production is feasible for gas production from the hydrate layers of Unit C in the PBU-L 106 site. But the reservoir model used in this study is relatively generalized. Thus, a specific reservoir model for the site will be required for higher accuracy in the future, after we obtain accurately measured geomechanical data and failure models. Published by Elsevier B.V. C1 [Kim, Jihoon; Moridis, George J.; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Kim, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd 90R1116, Berkeley, CA 94720 USA. EM JihoonKim@lbl.gov; GJMoridis@lbl.gov; JRutqvist@lbl.gov RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 FU Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, under the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, under the U.S. Department of Energy. Contract no. DE-AC02-05CH11231. We are grateful to the two anonymous reviewers for their constructive reviews. NR 46 TC 5 Z9 5 U1 2 U2 42 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-4105 J9 J PETROL SCI ENG JI J. Pet. Sci. Eng. PD AUG PY 2012 VL 92-93 BP 143 EP 157 DI 10.1016/j.petrol.2012.04.012 PG 15 WC Energy & Fuels; Engineering, Petroleum SC Energy & Fuels; Engineering GA 005VS UT WOS:000308778800015 ER PT J AU Penczak, JS Liu, YM Schaller, RD Rich, DH Gordon, RJ AF Penczak, John S., Jr. Liu, Yaoming Schaller, Richard D. Rich, Daniel H. Gordon, Robert J. TI The mechanism for continuum polarization in laser induced breakdown spectroscopy of Si(111) SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Polarization-resolved laser-induced; breakdown spectroscopy; PRLIBS; Silicon ablation ID 2ND HARMONIC-GENERATION; ABLATION; SILICON; PLASMAS; PULSES AB Polarization of the plasma luminescence produced by both nanosecond and femtosecond laser ablation of Si(111) was analyzed under different conditions of fluence and detection geometry. It is shown that the luminescence is partially polarized and is directed in the plane of the crystal. The time evolution of the plasma emission signal was also investigated with the use of a streak camera. The mechanisrn for polarization is proposed to be preferential reflection of s-polarized light (i.e., light polarized normal to the plane of laser incidence) by the melted surface, in agreement with the Fresnel equations. Earlier reports of much stronger polarization are shown to be erroneous. (C) 2012 Elsevier B.V. All rights reserved. C1 [Penczak, John S., Jr.; Liu, Yaoming; Gordon, Robert J.] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. [Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Schaller, Richard D.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Rich, Daniel H.] Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. [Rich, Daniel H.] Ben Gurion Univ Negev, Ilse Katz Inst Nanoscale Sci & Technol, IL-84105 Beer Sheva, Israel. RP Gordon, RJ (reprint author), Univ Illinois, Dept Chem, Chicago, IL 60607 USA. EM rjgordon@uic.edu FU U.S. Air Force Surgeon General's Office (AF/SG) [FA7014-07-C-0047]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This project was supported under Contract Number FA7014-07-C-0047, with the U.S. Air Force Surgeon General's Office (AF/SG) and administered by the Air Force District of Washington (AFDW). Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 31 TC 6 Z9 6 U1 0 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD AUG-SEP PY 2012 VL 74-75 BP 3 EP 10 DI 10.1016/j.sab.2012.06.023 PG 8 WC Spectroscopy SC Spectroscopy GA 005UP UT WOS:000308775900002 ER PT J AU Martin, MZ Allman, S Brice, DJ Martin, RC Andre, NO AF Martin, Madhavi Z. Allman, Steve Brice, Deanne J. Martin, Rodger C. Andre, Nicolas O. TI Exploring laser-induced breakdown spectroscopy for nuclear materials analysis and in-situ applications SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Laser-induced breakdown spectroscopy; Strontium; Cerium; Cesium; PCA and PLS analysis ID QUANTITATIVE ELEMENTAL ANALYSIS; OPTICAL-EMISSION SPECTROMETRY; SPECTROCHEMICAL ANALYSIS; PLASMA SPECTROSCOPY; AQUEOUS-SOLUTIONS; LIBS; ABLATION; CHLORINE; URANIUM; SAMPLES AB Laser-induced breakdown spectroscopy (UBS) has been used to determine the limits of detection of strontium (Sr) and cesium (Cs), common nuclear fission products. Additionally, detection limits were determined for cerium (Ce), often used as a surrogate for radioactive plutonium in laboratory studies. Results were obtained using a laboratory instrument with a Nd:YAG laser at fundamental wavelength of 106,4 nm, frequency doubled to 532 nm with energy of 50 mJ/pulse. The data was compared for different concentrations of Sr and Ce dispersed in a CaCO3 (white) and carbon (black) matrix. We have addressed the sampling errors, limits of detection, reproducibility, and accuracy of measurements as they relate to multivariate analysis in pellets that were doped with the different elements at various concentrations. These results demonstrate that LIBS technique is inherently well suited for in situ analysis of nuclear materials in hot cells. Three key advantages are evident: (1) small samples (mg) can be evaluated; (2) nuclear materials can be analyzed with minimal sample preparation; and (3) samples can be remotely analyzed very rapidly (ms-seconds). Our studies also show that the methods can be made quantitative. Very robust multivariate models have been used to provide quantitative measurement and statistical evaluation of complex materials derived from our previous research on wood and soil samples. (C) 2012 Elsevier B.V. All rights reserved. C1 [Martin, Madhavi Z.; Allman, Steve] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Brice, Deanne J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Martin, Rodger C.] Oak Ridge Natl Lab, Fuel Cycle & Isotopes Div, Oak Ridge, TN 37831 USA. [Andre, Nicolas O.] Univ Tennessee, Ctr Renewable Carbon, Knoxville, TN 37996 USA. RP Martin, MZ (reprint author), Oak Ridge Natl Lab, Biosci Div, POB 2008, Oak Ridge, TN 37831 USA. EM martinm1@ornl.gov RI Allman, Steve/A-9121-2011; OI Allman, Steve/0000-0001-6538-7048; Martin, Madhavi/0000-0002-6677-2180 FU U.S. Department of Energy Office of Nuclear Energy; U.S. Department of Energy [DE-AC05-00OR22725] FX The nuclear materials work was supported by the U.S. Department of Energy Office of Nuclear Energy through the Deep Burn Project. This manuscript has been authored by UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 46 TC 24 Z9 25 U1 1 U2 58 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD AUG-SEP PY 2012 VL 74-75 BP 177 EP 183 DI 10.1016/j.sab.2012.06.049 PG 7 WC Spectroscopy SC Spectroscopy GA 005UP UT WOS:000308775900028 ER PT J AU Berman, GP Espy, MA Gorshkov, VN Tsifrinovich, VI Volegov, PL AF Berman, Gennady P. Espy, Michelle A. Gorshkov, Vyacheslav N. Tsifrinovich, Vladimir I. Volegov, Petr L. TI Radiation damping for speeding-up NMR applications SO CONCEPTS IN MAGNETIC RESONANCE PART A LA English DT Article DE nuclear magnetization; NMR applications; nuclear magnetic relaxation ID NUCLEAR MAGNETIC RESONANCE AB In this work, we address a problem of low repetition rate in NMR applications. We suggest using a dynamical regime in the radiation damping which allows returning the nuclear magnetization to its equilibrium state during a time interval that is negligible compared to the spin relaxation time. We show theoretically that the radiation damping in the spin echo technique can be as effective as application of special rf pulses. We obtain an analytical estimate for optimal damping which is consistent with our numerical simulations. (c) 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part A 40A: 179185, 2012. C1 [Berman, Gennady P.; Gorshkov, Vyacheslav N.] Los Alamos Natl Lab, Div Theoret, LANL, Los Alamos, NM 87544 USA. [Gorshkov, Vyacheslav N.] Natl Tech Univ Ukraine KPI, UA-03056 Kiev 56, Ukraine. [Tsifrinovich, Vladimir I.] NYU, Dept Appl Phys, Polytech Inst, MetroTech Ctr 6, Brooklyn, NY 11201 USA. RP Berman, GP (reprint author), Los Alamos Natl Lab, Div Theoret, LANL, T-4,MSB213, Los Alamos, NM 87544 USA. EM gpb@lanl.gov RI Gorshkov, Vyacheslav/J-3329-2015 OI Gorshkov, Vyacheslav/0000-0002-7700-5649 FU NNSA of the U.S. DOE at LANL [DEAC52-06NA25396]; LDRD program at LANL FX This work was carried out under the auspices of the NNSA of the U.S. DOE at LANL under Contract No. DEAC52-06NA25396. Authors thank the LDRD program at LANL for funding this research. NR 6 TC 0 Z9 0 U1 2 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1546-6086 J9 CONCEPT MAGN RESON A JI Concepts Magn. Reson. Part A PD AUG PY 2012 VL 40A IS 4 BP 179 EP 185 DI 10.1002/cmr.a.21237 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical; Radiology, Nuclear Medicine & Medical Imaging; Spectroscopy SC Chemistry; Physics; Radiology, Nuclear Medicine & Medical Imaging; Spectroscopy GA 995VF UT WOS:000308041200002 ER PT J AU Kittleson, JT Wu, GC Anderson, JC AF Kittleson, Joshua T. Wu, Gabriel C. Anderson, J. Christopher TI Successes and failures in modular genetic engineering SO CURRENT OPINION IN CHEMICAL BIOLOGY LA English DT Review ID ESCHERICHIA-COLI K-12; SYNTHETIC BIOLOGY; SINGLE CELLS; TRANSCRIPTIONAL REGULATORS; ISOPRENOID PRODUCTION; PATHWAY OPTIMIZATION; MEVALONATE PATHWAY; SIGNALING-NETWORK; BACILLUS-SUBTILIS; SYSTEMS BIOLOGY AB Synthetic biology relies on engineering concepts such as abstraction, standardization, and decoupling to develop systems that address environmental, clinical, and industrial needs. Recent advances in applying modular design to system development have enabled creation of increasingly complex systems. However, several challenges to module and system development remain, including syntactic errors, semantic errors, parameter mismatches, contextual sensitivity, noise and evolution, and load and stress. To combat these challenges, researchers should develop a framework for describing and reasoning about biological information, design systems with modularity in mind, and investigate how to predictively describe the diverse sources and consequences of metabolic load and stress. C1 [Kittleson, Joshua T.; Anderson, J. Christopher] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Wu, Gabriel C.] Univ Texas Austin, Inst Cellular & Mol Biol, Ctr Syst & Synthet Biol, Austin, TX 78712 USA. [Anderson, J. Christopher] Univ Calif Berkeley, Calif Inst Quantitat Biol Res, Berkeley, CA 94720 USA. [Anderson, J. Christopher] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Anderson, JC (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. EM jcanderson@berkeley.edu FU National Science Foundation Synthetic Biology Engineering Research Center (SynBERC); Siebel Scholar award; National Science Foundation Graduate Research Fellowship FX This work was supported by the National Science Foundation Synthetic Biology Engineering Research Center (SynBERC). J.T.K. received support from a Siebel Scholar award. G.C.W. is supported by a National Science Foundation Graduate Research Fellowship. NR 118 TC 26 Z9 28 U1 3 U2 52 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1367-5931 J9 CURR OPIN CHEM BIOL JI Curr. Opin. Chem. Biol. PD AUG PY 2012 VL 16 IS 3-4 BP 329 EP 336 DI 10.1016/j.cbpa.2012.06.009 PG 8 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 005UZ UT WOS:000308776900013 PM 22818777 ER PT J AU Chen, SQ Levine, MD Li, HY Yowargana, P Xie, LN AF Chen, Shuqin Levine, Mark D. Li, Haiying Yowargana, P. Xie, Linna TI Measured air tightness performance of residential buildings in North China and its influence on district space heating energy use SO ENERGY AND BUILDINGS LA English DT Article DE Air tightness performance; Blower door measurement; Residential buildings with district heating; Air change rate ID AIRTIGHTNESS AB There is little known about air tightness performance of residential buildings in north China and its effect on district heating. Air tightness performance of two buildings in the cold zone of China, namely Hui'an building and Ruiguang building was measured by blower door method. Hui'an building has the average air change rate of 0.24 h(-1), and Ruiguang building has the value of 0.98 h(-1). The families located at the ends of the building have the worse air tightness performance than the families in the middle, while the performance of the family on the top floor is worse than those on the middle floor. Comparing with the foreign studies, the performance of Hui'an building is comparable with the similar buildings in Lithuania, UK, Russia and USA. but Ruiguang building has the worst performance among all these studies. Foreign standards have higher requirement, where the performance of Hui'an building can only meet the Netherlands' standard, and falls behind the standards of Finland, Belgium, Denmark. Canada, USA and UK, and Ruiguang building cannot meet any of these standards. Simulation shows the total energy use of district heating is reduced by 12.6% when ACH of Ruiguang building is reduced from 0.98 h(-1) to 0.5 h(-1). (C) 2012 Elsevier B.V. All rights reserved. C1 [Chen, Shuqin] Tongji Univ, Res Ctr Green Bldg & New Energy, Shanghai 200092, Peoples R China. [Levine, Mark D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Li, Haiying] Hebei Polytech Univ, Coll Met & Energy, Tangshan 063009, Peoples R China. [Yowargana, P.] Azure Int Technol & Dev Beijing Ltd, Beijing 100027, Peoples R China. [Xie, Linna] Beijing Bldg Technol Dev Co, Beijing 100027, Peoples R China. RP Chen, SQ (reprint author), Tongji Univ, Res Ctr Green Bldg & New Energy, Ruian Bldg,Rm801,Siping Rd 1239, Shanghai 200092, Peoples R China. EM shuqinchen@tongji.edu.cn FU Fundamental Research Funds for the Central Universities [2011KJ035] FX This paper is funded by "the Fundamental Research Funds for the Central Universities (No. 2011KJ035)". NR 23 TC 8 Z9 9 U1 2 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PD AUG PY 2012 VL 51 BP 157 EP 164 DI 10.1016/j.enbuild.2012.05.004 PG 8 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 996AP UT WOS:000308056700019 ER PT J AU Zhao, Y Yan, YK Kumar, A Wang, H Porter, WD Priya, S AF Zhao, Yu Yan, Yongke Kumar, Ashok Wang, Hsin Porter, Wallace D. Priya, Shashank TI Thermal conductivity of self-assembled nano-structured ZnO bulk ceramics SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID AL-DOPED ZNO; THERMOELECTRIC PROPERTIES; PERFORMANCE AB In this study, we describe the changes in thermal conductivity behavior of ZnO-Al micro- and nano-two-phase self-assembled composites with varying grain sizes. The reduction in thermal conductivity values of micro-composites was limited to similar to 15% for ZnO-4% Al. However, nano-composites exhibited large reduction, by a factor of about three, due to uniform distribution of nano-precipitates (ZnAl2O4) and large grain boundary area. Interestingly, the micro-composites revealed continuous decrease in thermal conductivity with increase in Al substitution while the nano-composites exhibited the lowest magnitudes for 2% Al concentration. Raman spectra indicated that phonon confinement in ZnO-Al nano-composites causes drastic decrease in the value of thermal conductivity. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4745034] C1 [Zhao, Yu; Yan, Yongke; Kumar, Ashok; Priya, Shashank] Virginia Tech, Bioinspired Mat & Devices Lab BMDL, Ctr Energy Harvesting Mat & Syst CEHMS, Blacksburg, VA 24061 USA. [Wang, Hsin; Porter, Wallace D.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Zhao, Y (reprint author), Virginia Tech, Bioinspired Mat & Devices Lab BMDL, Ctr Energy Harvesting Mat & Syst CEHMS, Blacksburg, VA 24061 USA. EM zhaoyu@vt.edu; spriya@vt.edu RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 FU NSF/DOE; Department of Energy [DEAC05000OR22725] FX Authors gratefully acknowledge the financial support provided by NSF/DOE Thermoelectrics Partnership. The work was also supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies as part of the High Temperature Materials Laboratory User Program at Oak Ridge National Laboratory managed by the UT-Battelle LLC, for the Department of Energy under Contract DEAC05000OR22725. One of Authors Yu Zhao would like to thank Charles Farley for his help with Raman spectra measurement. NR 22 TC 5 Z9 5 U1 3 U2 48 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2012 VL 112 IS 3 AR 034313 DI 10.1063/1.4745034 PG 6 WC Physics, Applied SC Physics GA 999SN UT WOS:000308335400114 ER PT J AU Tokunaga, TK Wan, JM Denham, ME AF Tokunaga, Tetsu K. Wan, Jiamin Denham, Miles E. TI Estimates of Vadose Zone Drainage from a Capped Seepage Basin, F-Area, Savannah River Site SO VADOSE ZONE JOURNAL LA English DT Article ID URANIUM; PLUME AB Waste disposal into seepage basins has generated groundwater contaminant plumes at many locations. At the F Area within the Savannah River Site, Pu was extracted from depleted U from 1955 to 1988, with wastewater discharged into seepage basins. Basin 3 was the largest F-Area seepage basin, receiving acidic wastewater containing radionuclides (including H-3, I-129, and multiple isotopes of U, Pu, Sr, and Cs), elevated NO3, and some metals. Contaminants transported into the groundwater migrate toward Fourmile Branch, a tributary to the Savannah River. We developed a two-compartment model and used 20 yr of groundwater quality data to estimate the post-closure drainage of waste solutions through its vadose zone into the aquifer. Tritium, NO3-, and specific conductance were used as tracers in the model to estimate drainage rates. Our calculations indicate that early stages of post-closure waste drainage occurred with high water fluxes (similar to 0.5 m yr(-1)) and quickly declined. Even 20 yr after basin closure, however, drainage continues at several centimeters per year. While the magnitude of this late-stage drainage rate is low, its impact is large because of the high concentrations of contaminants it continues to supply to the groundwater. These estimated drainage fluxes constrain predictions on the waste plume behavior, especially with respect to its trailing gradient and time scales suitable for monitored natural attenuation. Our methodology requires only groundwater monitoring data and a small number of well-constrained input quantities. This approach can be useful for understanding contaminant dissipation at other locations as well, especially where the hydrogeological setting is relatively simple. C1 [Tokunaga, Tetsu K.; Wan, Jiamin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Denham, Miles E.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Tokunaga, TK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM tktokunaga@lbl.gov RI Tokunaga, Tetsu/H-2790-2014; Wan, Jiamin/H-6656-2014 OI Tokunaga, Tetsu/0000-0003-0861-6128; FU U.S. Department of Energy (DOE) Advanced Simulation Capability for Environmental Management (ASCEM) program; Subsurface Biogeochemical Research program; DOE Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; DOE Office of Environmental Management programs including ASCEM; Attenuation-Based Remedies for the Subsurface Applied Field Research Initiative (ABRS AFRI) FX This material is based on work supported as part of the U.S. Department of Energy (DOE) Advanced Simulation Capability for Environmental Management (ASCEM) program, as well as the Subsurface Biogeochemical Research program, funded by the DOE Office of Science, Office of Biological and Environmental Research, under Contract no. DE-AC02-05CH11231. The work conducted by SRNL is supported as part of the DOE Office of Environmental Management programs including ASCEM and the Attenuation-Based Remedies for the Subsurface Applied Field Research Initiative (ABRS AFRI). We thank the anonymous reviewers, especially Reviewer 2, for helpful comments. NR 25 TC 1 Z9 1 U1 1 U2 13 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD AUG PY 2012 VL 11 IS 3 DI 10.2136/vzj2011.0131 PG 8 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 002JB UT WOS:000308526800012 ER PT J AU Zhang, ZF Strickland, CE Field, JG Parker, DL Clayton, RE AF Zhang, Z. Fred Strickland, Chris E. Field, Jim G. Parker, Dan L. Clayton, Ray E. TI Evaluating the Performance of a Surface Barrier for Reducing Soil-Water Flow SO VADOSE ZONE JOURNAL LA English DT Article ID HYDRAULIC-PROPERTIES; FIELD PERFORMANCE; LANDFILL COVERS; LINE SOURCE; FLUX; CONDUCTIVITY; LYSIMETER; FLUXMETER; DRAINAGE AB Surface barriers reduce water percolation through contaminated vadose zones, but confirming flow reduction is challenging. We propose a hydraulic-conductivity factor as a conservative indicator of the reduction in soil-water flow beneath surface barriers. The factor can be formulated using measured soil-water contents or pressures without knowledge of saturated hydraulic conductivities or hydraulic gradients. Factor determination does not require direct measurements of water flux, hence it is cost effective. Pressure-and water-content-based formulas were demonstrated using data from a drainage experiment and the former was further demonstrated for an interim barrier over buried tanks, one of which leaked radioactive waste at the Hanford Site. Three years after barrier emplacement, hydraulic conductivity decreased at 1- ,2- and 5-m measurement depths. Numerical simulations explored the relations among flux and conductivity factors. Drainage rates changed slowly at depth, with years to decades for substantial flux reduction at the underlying water table after surface barrier emplacement. C1 [Zhang, Z. Fred; Strickland, Chris E.; Clayton, Ray E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Field, Jim G.; Parker, Dan L.] Washington River Protect Solut, Richland, WA 99352 USA. RP Zhang, ZF (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM fred.zhang@pnnl.gov FU Washington River Protection Solutions and performed at the Pacific Northwest National Laboratory; U.S. Department of Energy [DE-AC05-76RL01830] FX This work was supported by Washington River Protection Solutions and performed at the Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC05-76RL01830. We are grateful to the four anonymous reviewers and the associate editor, Dr. Dave Stonestrom, for constructive comments for improving the manuscript. We appreciate Dr. Stonestrom's thorough editorial advice. NR 41 TC 0 Z9 0 U1 1 U2 10 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD AUG PY 2012 VL 11 IS 3 DI 10.2136/vzj2011.0117 PG 10 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 002JB UT WOS:000308526800006 ER PT J AU Chae, WS Van Gough, D Ham, SK Robinson, DB Braun, PV AF Chae, Weon-Sik Van Gough, Dara Ham, Sung-Kyoung Robinson, David B. Braun, Paul V. TI Effect of Ordered Intermediate Porosity on Ion Transport in Hierarchically Nanoporous Electrodes SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE mesoporous; multimodal; ultracapacitor; admittance; frequency response ID SELF-ASSEMBLED MONOLAYERS; GOLD ELECTRODES; DOUBLE-LAYER; CAPACITORS; IMPEDANCE; CHARGE AB The high surface area of nanoporous electrodes makes them promising for use in electrochemical double-layer supercapacitors, desalination and pollution remediation, and drug delivery applications When designed well and operating near their peak power, their charging rates are limited by ion transport through their long, narrow pores. This can be alleviated by creating pores of intermediate diameter that penetrate the electrode. We have fabricated electrodes featuring these by creating colloidal crystal-templated opals of nanoporous gold formed by dealloying. The resulting electrodes contain a bimodal pore size distribution, with large pores on the order of several 100 nm and small pores on the order of 10 nm. Electrochemical impedance spectrometry shows that porous gold opals sacrifice some capacitance, but possess a lower internal resistance, when compared to a porous gold electrode with only the smaller diameter pores. The architectural flexibility of this approach provides a greater ability to design a balance between power density and energy density. C1 [Robinson, David B.] Sandia Natl Labs, Livermore, CA 94550 USA. [Chae, Weon-Sik; Ham, Sung-Kyoung] Korea Basic Sci Inst, Gangneung Ctr, Kangnung 210702, South Korea. [Van Gough, Dara; Braun, Paul V.] Univ Illinois, Dept Mat Sci & Engn, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Van Gough, Dara; Braun, Paul V.] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA. [Van Gough, Dara] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Robinson, DB (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM drobins@sandia.gov FU Laboratory-Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; KBSI through the International Joint Research Program [F32603]; Nanoscale Science and Engineering Initiative of the National Science Foundation under NSF [DMR-0642573] FX This work was supported by the Laboratory-Directed Research and Development program at Sandia National Laboratories, a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000; by KBSI through the International Joint Research Program (Grant F32603); and by the Nanoscale Science and Engineering Initiative of the National Science Foundation under NSF Award DMR-0642573. The authors also acknowledge H. Zhang and K. A. Arpin for aid in schematic design and SEM. NR 26 TC 22 Z9 22 U1 2 U2 50 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD AUG PY 2012 VL 4 IS 8 BP 3973 EP 3979 DI 10.1021/am300798j PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 991JZ UT WOS:000307698600030 PM 22799397 ER PT J AU He, F Wang, W Moon, JW Howe, J Pierce, EM Liang, LY AF He, Feng Wang, Wei Moon, Ji-Won Howe, Jane Pierce, Eric M. Liang, Liyuan TI Rapid Removal of Hg(II) from Aqueous Solutions Using Thiol-Functionalized Zn-Doped Biomagnetite Particles SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE Zn-doped biomagnetite; nanoparticles; (3-mercaptopropyl)trimethoxysilane (MPTMS); superparamagnetic; mercury sorption; stability ID FE3O4 MAGNETIC NANOPARTICLES; SELF-ASSEMBLED MONOLAYERS; SILICA MOLECULAR-SIEVES; ION-EXCHANGE-RESINS; MESOPOROUS SILICA; HEAVY-METALS; ACTIVATED CARBON; MERCURY REMOVAL; WASTE-WATER; ADSORPTION AB The surfaces of Zn-doped biomagnetite nanostructured particles were functionalized with (3-mercaptopropyl)trimethoxysilane (MPTMS) and used as a high-capacity and collectable adsorbent for the removal of Hg(II) from water. Fourier transform infrared spectroscopy (FTIR) confirmed the attachment of MPTMS on the particle surface. The crystallite size of the Zn-doped biomagnetite was similar to 17 nm, and the thickness of the MPTMS coating was similar to 5 nm. Scanning transmission electron microscopy and dynamic light scattering analyses revealed that the particles formed aggregates in aqueous solution with an average hydrodynamic size of 826 +/- 32 nm. Elemental analyses indicate, that the chemical composition of the biomagnetite is Zn0.46Fe2.54O4, and the loading of sulfur is 3.6 mmol/g. The MPTMS-modified biomagnetite has a calculated saturation magnetization of 37.9 emu/g and can be separated from water within a minute using a magnet. Sorption of Hg(II) to the nanostructured particles was much faster than other commercial sorbents, and the Ho) sorption isotherm in an industrial wastewater follows the Langmuir model with a maximum capacity of similar to 416 rng/g, indicating, two SH groups bonded to one Hg. This new Hg(II) sorbent was stable in a range of solutions, from contaminated water to 0.5 M acid solutions, with low leaching of Fe, Zn, Si, and S (<10%). C1 [He, Feng; Wang, Wei; Pierce, Eric M.; Liang, Liyuan] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Moon, Ji-Won] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Howe, Jane] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP He, F (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM hef2@ornl.gov RI He, Feng/B-9444-2012; Wang, Wei/B-5924-2012; Liang, Liyuan/O-7213-2014; Pierce, Eric/G-1615-2011; OI He, Feng/0000-0001-5702-4511; Liang, Liyuan/0000-0003-1338-0324; Pierce, Eric/0000-0002-4951-1931; Moon, Ji-Won/0000-0001-7776-6889 FU Office of Groundwater and Soil Remediation, Office of Environmental Management, U.S. Department of Energy (DOE), Applied Field Research Initiative (AFRI) Program at Oak Ridge National Laboratory (ORNL); Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Program; Office of Basic Energy Sciences, U.S. DOE; DOE [DE-AC05-00OR22725] FX This research was supported by the Office of Groundwater and Soil Remediation, Office of Environmental Management, U.S. Department of Energy (DOE) as part of the Applied Field Research Initiative (AFRI) Program at Oak Ridge National Laboratory (ORNL), which is managed by UT-Battelle LLC for the DOE under Contract No. DE-AC05-00OR22725. STEM work was sponsored by Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Program, which is sponsored by the Office of Basic Energy Sciences, U.S. DOE. NR 59 TC 30 Z9 31 U1 7 U2 122 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD AUG PY 2012 VL 4 IS 8 BP 4373 EP 4379 DI 10.1021/am301031g PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 991JZ UT WOS:000307698600081 PM 22853320 ER PT J AU Yang, ZZ Gao, SM Li, T Liu, FQ Ren, Y Xu, T AF Yang, Zhenzhen Gao, Shanmin Li, Tao Liu, Fa-Qian Ren, Yang Xu, Tao TI Enhanced Electron Extraction from Template-Free 3D Nanoparticulate Transparent Conducting Oxide (TCO) Electrodes for Dye-Sensitized Solar Cells SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE 3D TCO; 3D FTO; nanoparticles; Core-shell; conformal; DSSC ID CHARGE-COLLECTION EFFICIENCY; ATOMIC LAYER DEPOSITION; POTENTIAL DISTRIBUTION; TIO2 FILMS; INTERFERENCE REFLECTION; SEMICONDUCTOR NANOWIRES; PHOTOVOLTAIC PROPERTIES; NANOCRYSTALLINE SNO2; ENERGY-CONVERSION; NANOPOROUS TIO2 AB The semiconducting metal oxide-based photoanodes in the most efficient dye-sensitized solar cells (DSSCs) desires a low doping level to promote charge separation, which, however, limits the subsequent electron extraction in the slow diffusion regime. These conflicts are mitigated in a new photoanode design that decouples the charge separation and extraction functions. A three-dimensional highly doped fluorinated SnO2 (FTO) nanoparticulate film serves as conductive core for low-resistance and drift-assisted charge extraction while a thin, low-doped conformal TiO2 shell maintains a large resistance to recombination (and therefore long charge lifetime). EIS reveals that the,electron transit time is reduced by orders of magnitude, whereas the recombination resistance remains in the range of traditional nanoparticle TiO2 photoeledrodes. C1 [Yang, Zhenzhen; Gao, Shanmin; Liu, Fa-Qian; Xu, Tao] No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA. [Li, Tao; Ren, Yang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Xu, T (reprint author), No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA. EM txu@niu.edu RI li, tao/K-8911-2012; Yang, Zhenzhen/A-5904-2012 OI li, tao/0000-0001-5454-1468; FU National Science Foundation [CBET-1150617]; NIU-Argonne Nanoscience Fellowship via InSET; Electron Microscopy Center for Materials Research at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, and Office of Basic Energy Science [DE-AC02-06CH11357] FX We acknowledge the support from National Science Foundation (CBET-1150617) and NIU-Argonne Nanoscience Fellowship via InSET. The electron microscopy was conducted at the Electron Microscopy Center for Materials Research at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract DE-AC02-06CH11357 by UChicago Argonne, LLC. The use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Science under Contract DE-AC02-06CH11357. We thank Dr. Alex B. F. Martinson at Materials Science Division, Argonne National Laboratory for his help with atomic layer deposition and insightful discussion. NR 65 TC 25 Z9 25 U1 1 U2 62 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD AUG PY 2012 VL 4 IS 8 BP 4419 EP 4427 DI 10.1021/am301090a PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 991JZ UT WOS:000307698600088 PM 22834639 ER PT J AU Hoarfrost, ML Segalman, RA AF Hoarfrost, Megan L. Segalman, Rachel A. TI Conductivity Scaling Relationships for Nanostructured Block Copolymer/Ionic Liquid Membranes SO ACS MACRO LETTERS LA English DT Article ID IONIC LIQUID; PHASE-BEHAVIOR; DIBLOCK COPOLYMERS; VISCOSITY; ELECTROLYTES; TRANSPORT; POLYMERIZATION; PERCOLATION; TRANSITION; MORPHOLOGY AB To optimize. the properties of. membranes composed of mixtures of block copolymers with ionic liquids';, it is essential to Understand universal scaling relationships' between composition, structure, temperature, and ionic conductivity. In this work We demonstrate the universality relationships developed to describe the temperature and concentration dependence Of ionic conductivity in such membranes by comparing the conductivity behavior of mixtures of ionic liquid with two block copolymer chemistries., The conductivities of all the mixture's are described by a single expression; which, combines percolation theory with the Vogel-Tamman-Fulcher (VTF) equation. Percolation theory describes the power law dependence of conductivity on the Overall Volume fraction of ionic liquid, while the VTF equation take into account the effect of the glass transition temperature of the concluding phase on the temperature dependence:. The dominance of the overall volume fraction of ionic liquid in determining conductivity indicates that there is incredible flexibility in designing :highly conductive block copolymer/ionic liquid membranes C1 [Hoarfrost, Megan L.; Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Hoarfrost, Megan L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy & Environm Technol Div, Berkeley, CA 94720 USA. [Segalman, Rachel A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Segalman, RA (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM segalman@berkeley.edu OI Segalman, Rachel/0000-0002-4292-5103 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Hydrogen, Fuel Cell, and Infrastructure Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-SC0004993]; NSF Graduate Research Fellowship; U.S. Government FX This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, as follows: Material preparation and investigation of mixture morphology and conductivity was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Hydrogen, Fuel Cell, and Infrastructure Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231; Continued investigation of mixture conductivity and interpretation of conductivity data was supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993. M.L.H. thanks support from an NSF Graduate Research Fellowship. SAXS experiments were performed at the Advanced Light Source (ALS) and the Stanford Synchrotron Radiation Laboratory (SSRL). Both are national user facilities supported by the Department of Energy, Office of Basic Energy Sciences. We gratefully acknowledge Dr. Alexander Hexemer, Dr. Cheng Wang, and Dr. Eric Schaible for experimental assistance at the ALS and Dr. John Pople for experimental assistance at the SSRL. This report was prepared as an account of work sponsored by an agency of the U.S. Government. Neither the U.S. Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 36 TC 23 Z9 23 U1 2 U2 56 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD AUG PY 2012 VL 1 IS 8 BP 937 EP 943 DI 10.1021/mz300241g PG 7 WC Polymer Science SC Polymer Science GA 992TU UT WOS:000307803400003 ER PT J AU Qidwai, SM Turner, DM Niezgoda, SR Lewis, AC Geltmacher, AB Rowenhorst, DJ Kalidindi, SR AF Qidwai, Siddiq M. Turner, David M. Niezgoda, Stephen R. Lewis, Alexis C. Geltmacher, Andrew B. Rowenhorst, David J. Kalidindi, Surya R. TI Estimating the response of polycrystalline materials using sets of weighted statistical volume elements SO ACTA MATERIALIA LA English DT Article DE Microstructure; Polycrystals; Statistical volume element (SVE); Statistics; Finite-element modeling (FEM) ID 2-POINT CORRELATION-FUNCTIONS; CRYSTAL PLASTICITY; REPRESENTATIVE VOLUME; INTRAGRANULAR BEHAVIOR; HETEROGENEOUS BODIES; CELLULAR MATERIALS; ELASTIC PROPERTIES; TEXTURE EVOLUTION; TITANIUM-ALLOY; STRAIN FIELDS AB The traditional representative volume element (RVE) is usually obtained through an iterative procedure based on the convergence of a selected material property. Although RVEs produced in this manner are generally presumed to automatically capture the salient features of the underlying microstructure, they typically do not achieve this requirement. Alternatively, one can identify a weighted set of statistical volume elements (WSVEs) that captures selected dominant components of n-point spatial correlations of the microstructure to prescribed accuracy. The main advantage of using WSVEs is that the key microstructural features are captured within sets of computationally manageable models ensuring reliable calculation of the material behavior and its variance in an efficient manner. In this paper, this concept of WSVEs is applied and validated for a nearly randomly oriented body-centered cubic beta-Ti alloy. Specifically, two WSVE sets composed of members with an average of 100 grains and 200 grains, respectively, are derived from a 4300-grain reconstruction of real microstructure based on the dominant two-point spatial correlation statistics identified by principal component analyses. Crystal plasticity formulation is used to model the behavior of the material under selected globally applied loading conditions. The WSVEs obtained in this work were validated by comparing their overall stress strain responses with those of a traditional 500-grain RVE. Furthermore, the frequency plots of the microscale cumulative shear strains obtained using the WSVEs compared favorably with those obtained using the traditional RVE. It is concluded that WSVE sets based on microstructure provide a viable practical alternative to the traditionally defined RVE in estimating the response of large polycrystalline microstructure datasets, with reasonable accuracy and significantly smaller computational resource needs. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Qidwai, Siddiq M.; Lewis, Alexis C.; Geltmacher, Andrew B.; Rowenhorst, David J.] USN, Res Lab, Multifunct Mat Branch, Washington, DC 20375 USA. [Turner, David M.; Kalidindi, Surya R.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Niezgoda, Stephen R.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Qidwai, SM (reprint author), USN, Res Lab, Multifunct Mat Branch, Code 6350,4555 Overlook Ave SW, Washington, DC 20375 USA. EM siddiq.qidwai@nrl.navy.mil RI Niezgoda, Stephen/I-6750-2013; OI Niezgoda, Stephen/0000-0002-7123-466X; Qidwai, Siddiq/0000-0002-2389-118X; Kalidindi, Surya/0000-0001-6909-7507 FU Office of Naval Research and Defense Advanced Research Projects Agency [N0001407WX20381]; ONR awards [N0001411WX21189, N00014-11-1-0759]; Department of Defense High Performance Computing Modernization Program using the Air Force Research Laboratory Major Shared Resource Center [416, 231] FX This research was supported by the Office of Naval Research and Defense Advanced Research Projects Agency under Grant No. N0001407WX20381 (Dr. Julie Christodoulou, program manager). A.C.L. and D.J.R., and D.M.T. and S.R.K. also acknowledge funding from ONR awards N0001411WX21189 and N00014-11-1-0759, respectively (Dr. William M. Mullins, program manager). The finite-element analysis was supported by the Department of Defense High Performance Computing Modernization Program using the Air Force Research Laboratory Major Shared Resource Center under project 416, subproject 231. NR 58 TC 19 Z9 19 U1 2 U2 48 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD AUG PY 2012 VL 60 IS 13-14 BP 5284 EP 5299 DI 10.1016/j.actamat.2012.06.026 PG 16 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 002DJ UT WOS:000308510900029 ER PT J AU Teng, ZK Ghosh, G Miller, MK Huang, S Clausen, B Brown, DW Liaw, PK AF Teng, Z. K. Ghosh, G. Miller, M. K. Huang, S. Clausen, B. Brown, D. W. Liaw, P. K. TI Neutron-diffraction study and modeling of the lattice parameters of a NiAl-precipitate-strengthened Fe-based alloy SO ACTA MATERIALIA LA English DT Article DE Neutron diffraction; Lattice parameter; Modeling; Precipitation; Ferritic steels ID THERMAL-EXPANSION; SOLID-SOLUTIONS; ALPHA-IRON; CR ALLOYS; X-RAY; AL; NICKEL; SUPERALLOYS; MISMATCH; DEFORMATION AB The lattice misfit between the body-centered cubic alpha-Fe matrix and the B2-ordered NiAl-type beta' precipitates is a parameter of significant importance in controlling the creep resistance of precipitate-strengthened ferritic steels. However, the measurement of the lattice misfit is complicated due to the fact that the fundamental reflections of alpha and beta' phases almost completely overlap. In this study, neutron diffraction is used to determine the lattice parameters of these two phases in a Fe-18.9 Al-9.8 Cr-13 Ni-1.8 Mo (atomic percent, at.%) alloy as a function of temperature. The accuracy of the measurement at room temperature is verified by high-energy synchrotron X-ray diffraction. The comparison between these two techniques is discussed in terms of the difference in superlattice intensity. Furthermore, using the phase compositions determined by atom probe tomography, models are proposed to predict the lattice parameters of both phases at room temperature as a function of their compositions. The results are in very good agreement with those obtained experimentally. (c) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Teng, Z. K.; Miller, M. K.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Teng, Z. K.; Huang, S.; Liaw, P. K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Ghosh, G.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Clausen, B.; Brown, D. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Teng, ZK (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM zteng81@gmail.com; pliaw@utk.edu RI Lujan Center, LANL/G-4896-2012; Ghosh, Gautam/B-7517-2009; Huang, Shenyan/G-7361-2011; Clausen, Bjorn/B-3618-2015 OI Huang, Shenyan/0000-0001-9652-8114; Clausen, Bjorn/0000-0003-3906-846X FU Department of Energy (DOE), Office of Fossil Energy Program [DE-FG26-06NT42732, DE-09NT0008089]; US Department of Energy, the Office of Basic Energy Science - Materials Science [W-7405-ENG-36]; University of California; Oak Ridge National Laboratory (ORNL)'s Shared Research Equipment (SHaRE) User Facility; Office of Basic Energy Sciences, US Department of Energy FX This research is supported by The Department of Energy (DOE), Office of Fossil Energy Program, under Grant No. DE-FG26-06NT42732 and DE-09NT0008089, with Mr. Vito Cedro and Dr Patricia Rawls as the program managers. The Los Alamos Neutron Science Center (LANSCE) is a national user facility funded by the US Department of Energy, the Office of Basic Energy Science - Materials Science, under Contract No. W-7405-ENG-36 with the University of California. Atom probe tomography experiments were supported by Oak Ridge National Laboratory (ORNL)'s Shared Research Equipment (SHaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, US Department of Energy. The authors would like to thank Dr. Li Li from Shanghai Synchrotron Source for conducting the synchrotron X-ray experiment. NR 45 TC 10 Z9 11 U1 4 U2 45 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 AUG PY 2012 VL 60 IS 13-14 BP 5362 EP 5369 DI 10.1016/j.actamat.2012.05.033 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 002DJ UT WOS:000308510900035 ER PT J AU Walls, RL Athreya, B Cooper, L Elser, J Gandolfo, MA Jaiswal, P Mungall, CJ Preece, J Rensing, S Smith, B Stevenson, DW AF Walls, Ramona L. Athreya, Balaji Cooper, Laurel Elser, Justin Gandolfo, Maria A. Jaiswal, Pankaj Mungall, Christopher J. Preece, Justin Rensing, Stefan Smith, Barry Stevenson, Dennis W. TI ONTOLOGIES AS INTEGRATIVE TOOLS FOR PLANT SCIENCE SO AMERICAN JOURNAL OF BOTANY LA English DT Article DE bio-ontologies; genome annotation; OBO Foundry; phenomics; plant anatomy; plant genomics; Plant Ontology; plant systematics; semantic web ID SEMANTIC-WEB; GENE ONTOLOGY; COORDINATED EVOLUTION; CONTROLLED VOCABULARY; PHENOTYPE ONTOLOGIES; PROTEIN ONTOLOGY; OBO FOUNDRY; BIOLOGY; DATABASE; INFORMATION AB Premise of the study: Bio-ontologies are essential tools for accessing and analyzing the rapidly growing pool of plant genomic and phenomic data. Ontologies provide structured vocabularies to support consistent aggregation of data and a semantic framework for automated analyses and reasoning. They are a key component of the semantic web. Methods: This paper provides background on what bio-ontologies are, why they are relevant to botany, and the principles of ontology development. It includes an overview of ontologies and related resources that are relevant to plant science, with a detailed description of the Plant Ontology (PO). We discuss the challenges of building an ontology that covers all green plants (Viridiplantae). Key results: Ontologies can advance plant science in four keys areas: (1) comparative genetics, genomics, phenomics, and development; (2) taxonomy and systematics; (3) semantic applications; and (4) education. Conclusions: Bio-ontologies offer a flexible framework for comparative plant biology, based on common botanical understanding. As genomic and phenomic data become available for more species, we anticipate that the annotation of data with ontology terms will become less centralized, while at the same time, the need for cross-species queries will become more common, causing more researchers in plant science to turn to ontologies. C1 [Walls, Ramona L.; Stevenson, Dennis W.] New York Bot Garden, Bronx, NY 10458 USA. [Athreya, Balaji; Cooper, Laurel; Elser, Justin; Jaiswal, Pankaj; Preece, Justin] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA. [Gandolfo, Maria A.] Cornell Univ, Dept Plant Biol, Ithaca, NY 14853 USA. [Mungall, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Bioinformat Open Source Projects, Berkeley, CA 94720 USA. [Rensing, Stefan] Univ Freiburg, Fac Biol, D-79104 Freiburg, Germany. [Smith, Barry] SUNY Buffalo, Dept Philosophy, Buffalo, NY 14260 USA. RP Stevenson, DW (reprint author), New York Bot Garden, 2900 Southern Blvd, Bronx, NY 10458 USA. EM dws@nybg.org RI Jaiswal, Pankaj/H-7599-2016; Smith, Barry/A-9525-2011 OI Jaiswal, Pankaj/0000-0002-1005-8383; Smith, Barry/0000-0003-1384-116X FU U. S. National Science Foundation [IOS: 0822201] FX The authors thank Chris Sullivan (Center for Genome Research and Biocomputing at the Oregon State University) for hosting and maintenance of the Plant Ontology project web servers; Kevin C. Nixon (Cornell University) for access to and development of the PlantSystematics.org and Cornell University Plant Anatomy Collection (CU-PAC) databases and image servers; Hong Cui and James Macklin (Flora of North America), Naama Menda (Sol Genomics Network), Mary Schaeffer (MaizeGDB), Rosemary Shrestha (Consultative Group on International Agricultural Research, CGIAR), Rex Nelson (SoyBase), and the curators of The Arabidopsis Information Network (TAIR) for their work on term enrichment of the Plant Ontology; and numerous volunteers and reviewers of the Plant Ontology. Funding for this project came from the U. S. National Science Foundation, award IOS: 0822201. NR 74 TC 27 Z9 27 U1 4 U2 44 PU BOTANICAL SOC AMER INC PI ST LOUIS PA PO BOX 299, ST LOUIS, MO 63166-0299 USA SN 0002-9122 EI 1537-2197 J9 AM J BOT JI Am. J. Bot. PD AUG PY 2012 VL 99 IS 8 BP 1263 EP 1275 DI 10.3732/ajb.1200222 PG 13 WC Plant Sciences SC Plant Sciences GA 992VF UT WOS:000307807300013 PM 22847540 ER PT J AU Yang, B Zhang, YC Qian, Y AF Yang, Ben Zhang, Yaocun Qian, Yun TI Simulation of urban climate with high-resolution WRF model: A case study in Nanjing, China SO ASIA-PACIFIC JOURNAL OF ATMOSPHERIC SCIENCES LA English DT Article DE WRF; urban climate simulation; temperature; precipitation; urban planet boundary layer ID BOUNDARY-LAYER STRUCTURES; HEAT-ISLAND; CANOPY MODEL; SINGLE-LAYER; ATMOSPHERIC MODELS; METROPOLITAN-AREA; REGIONAL CLIMATE; MESOSCALE MODEL; ENERGY-BALANCE; PARAMETERIZATION AB In this study, urban climate in Nanjing of eastern China is simulated using 1-km resolution Weather Research and Forecasting (WRF) model coupled with a single-layer Urban Canopy Model. Based on the 10-summer simulation results from 2000 to 2009 we find that the WRF model is capable of capturing the high-resolution features of urban climate over Nanjing area. Although WRF underestimates the total precipitation amount, the model performs well in simulating the surface air temperature, relative humidity, and precipitation frequency and inter-annual variability. We find that extremely hot events occur most frequently in urban area, with daily maximum (minimum) temperature exceeding 36A degrees C (28A degrees C) in around 40% (32%) of days. Urban Heat Island (UHI) effect at surface is more evident during nighttime than daytime, with 20% of cases the UHI intensity above 2.5A degrees C at night. However, The UHI affects the vertical structure of Planet Boundary Layer (PBL) more deeply during daytime than nighttime. Net gain for latent heat and net radiation is larger over urban than rural surface during daytime. Correspondingly, net loss of sensible heat and ground heat are larger over urban surface resulting from warmer urban skin. Because of different diurnal characteristics of urban-rural differences in the latent heat, ground heat and other energy fluxes, the near surface UHI intensity exhibits a very complex diurnal feature. UHI effect is stronger in days with less cloud or lower wind speed. Model results reveal a larger precipitation frequency over urban area, mainly contributed by the light rain events (< 10 mm d(-1)). Consistent with satellite dataset, around 10-20% more precipitation occurs in urban than rural area at afternoon induced by more unstable urban PBL, which induces a strong vertical atmospheric mixing and upward moisture transport. A significant enhancement of precipitation is found in the downwind region of urban in our simulations in the afternoon. C1 [Yang, Ben; Zhang, Yaocun] Nanjing Univ, Sch Atmospher Sci, Nanjing 210093, Jiangsu, Peoples R China. [Qian, Yun] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yang, B (reprint author), Nanjing Univ, Sch Atmospher Sci, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China. EM brady1234.student@gmail.com RI qian, yun/E-1845-2011; Yang, Ben/O-8548-2015 FU National Basic Research program of China [2010CB428504]; U.S. DOE's Office of Science Biological and Environmental Research; U.S. DOE by Battelle Memorial Institute [DE-AC06-76RLO1830] FX We thank the constructive comment from two anonymous reviewers. This paper is supported by the National Basic Research program of China (2010CB428504). Yun Qian's contribution is sponsored by the U.S. DOE's Office of Science Biological and Environmental Research under a bilateral agreement with the China Ministry of Science and Technology on regional climate research. PNNL is operated for the U.S. DOE by Battelle Memorial Institute under contract DE-AC06-76RLO1830. NR 51 TC 18 Z9 20 U1 5 U2 42 PU KOREAN METEOROLOGICAL SOC PI SEOUL PA SHINKIL-DONG 508, SIWON BLDG 704, YONGDUNGPO-GU, SEOUL, 150-050, SOUTH KOREA SN 1976-7633 EI 1976-7951 J9 ASIA-PAC J ATMOS SCI JI Asia-Pac. J. Atmos. Sci. PD AUG PY 2012 VL 48 IS 3 BP 227 EP 241 DI 10.1007/s13143-012-0023-5 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 996OX UT WOS:000308101800003 ER PT J AU Vigan, A Patience, J Marois, C Bonavita, M De Rosa, RJ Macintosh, B Song, I Doyon, R Zuckerman, B Lafreniere, D Barman, T AF Vigan, A. Patience, J. Marois, C. Bonavita, M. De Rosa, R. J. Macintosh, B. Song, I. Doyon, R. Zuckerman, B. Lafreniere, D. Barman, T. TI The International Deep Planet Survey I. The frequency of wide-orbit massive planets around A-stars SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE instrumentation: adaptive optics; instrumentation: high angular resolution; methods: observational; stars: imaging; methods: statistical ID SUN-LIKE STARS; EXTRASOLAR GIANT PLANETS; ADAPTIVE OPTICS SYSTEM; BROWN DWARF COMPANION; DUSTY DEBRIS DISKS; HR 8799 B; BETA-PICTORIS; IMAGING SURVEY; HIGH-RESOLUTION; STELLAR MASS AB Breakthrough direct detections of planetary companions orbiting A-type stars confirm the existence of massive planets at relatively large separations, but dedicated surveys are required to estimate the frequency of similar planetary systems. To measure the first estimation of the giant exoplanetary systems frequency at large orbital separation around A-stars, we have conducted a deep-imaging survey of young (8-400 Myr), nearby (19-84 pc) A-and F-stars to search for substellar companions in the similar to 10-300 AU range. The sample of 42 stars combines all A-stars observed in previous AO planet search surveys reported in the literature with new AO observations from VLT/NaCo and Gemini/NIRI. It represents an initial subset of the International Deep Planet Survey (IDPS) sample of stars covering M-to B-stars. The data were obtained with diffraction-limited observations in H-and K-s-band combined with angular differential imaging to suppress the speckle noise of the central stars, resulting in typical 5 sigma detection limits in magnitude difference of 12 mag at 1 '', 14 mag at 2 '' and 16 mag at 5 '' which is sufficient to detect massive planets. A detailed statistical analysis of the survey results is performed using Monte Carlo simulations. Considering the planet detections, we estimate the fraction of A-stars having at least one massive planet (3-14 M-Jup) in the range 5-320 AU to be inside 5.9-18.8% at 68% confidence, assuming a flat distribution for the mass of the planets. By comparison, the brown dwarf (15-75 M-Jup) frequency for the sample is 2.0-8.9% at 68% confidence in the range 5-320 AU. Assuming power law distributions for the mass and semimajor axis of the planet population, the AO data are consistent with a declining number of massive planets with increasing orbital radius which is distinct from the rising slope inferred from radial velocity (RV) surveys around evolved A-stars and suggests that the peak of the massive planet population around A-stars may occur at separations between the ranges probed by existing RV and AO observations. Finally, we report the discovery of three new close M-star companions to HIP 104365 and HIP 42334. C1 [Vigan, A.; Patience, J.; De Rosa, R. J.] Univ Exeter, Sch Phys, Astrophys Grp, Exeter EX4 4QL, Devon, England. [Patience, J.; De Rosa, R. J.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Marois, C.] Natl Res Council Canada, Victoria, BC V9E 2E7, Canada. [Bonavita, M.] Univ Toronto, Dept Astron, Toronto, ON, Canada. [Macintosh, B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Song, I.] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. [Doyon, R.; Lafreniere, D.] Univ Montreal, Dept Phys, Montreal, PQ H3C 3J7, Canada. [Zuckerman, B.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Barman, T.] Lowell Observ, Flagstaff, AZ 86001 USA. RP Vigan, A (reprint author), Univ Exeter, Sch Phys, Astrophys Grp, Stocker Rd, Exeter EX4 4QL, Devon, England. EM arthur@astro.ex.ac.uk OI Vigan, Arthur/0000-0002-5902-7828 FU Science and Technology Facilities Council (STFC) grant [ST/H002707/1]; Leverhulme Trust [F/00144/BJ] FX A.V. and J.P. acknowledge support from a Science and Technology Facilities Council (STFC) grant (ST/H002707/1). J.P. acknowledges support from the Leverhulme Trust through a research project grant (F/00144/BJ). The authors would like to thank G. Chauvin for providing his published detection limits, as well as E. Nielsen, M. Viallet and F. Pont for fruitful discussions on the statistical analysis, and J. Johnson for information on comparisons with RV studies. We thank the ESO and Gemini staff for performing the observations. This research made use of the SIMBAD database, operated at CDS, Strasbourg, France. NR 116 TC 77 Z9 77 U1 1 U2 3 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 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD AUG PY 2012 VL 544 AR A9 DI 10.1051/0004-6361/201218991 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 999DS UT WOS:000308290100009 ER PT J AU Retterer, ST Simpson, ML AF Retterer, Scott T. Simpson, Michael L. TI Microscale and nanoscale compartments for biotechnology SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID PROTEIN NANOCAGE; CELLULAR UPTAKE; GOLD NANOCAGES; APO-FERRITIN; CELLS; ACCUMULATION; EVOLUTION; SURFACE; NANOPARTICLES; DESTRUCTION AB Compartmentalization is essential in the organization of biological systems, playing a fundamental role in modulating biochemical activity. An appreciation of the impact that biological compartments have on chemical reactions and an understanding of the physical and chemical phenomena that affect their assembly and function have inspired the development of synthetic compartments. Organic compartments assembled from amphiphilic molecules or derived from biological materials, have formed the basis of initial work in the field. However, inorganic and hybrid organic-inorganic compartments that capitalize on the optical and catalytic properties of metal and semiconductor materials are emerging. Methods for arraying these microcompartment and nanocompartment materials in higher order systems promise to enable the scaling and integration of these technologies for industrial and commercial applications. C1 [Retterer, Scott T.; Simpson, Michael L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. [Retterer, Scott T.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Simpson, Michael L.] Univ Tennessee, Knoxville, TN USA. RP Simpson, ML (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. EM rettererst@ornl.gov RI Simpson, Michael/A-8410-2011; Retterer, Scott/A-5256-2011 OI Simpson, Michael/0000-0002-3933-3457; Retterer, Scott/0000-0001-8534-1979 FU Center for Nanophase Materials Sciences; Office of Basic Energy Sciences, U.S. Department of Energy; UT-Battelle, LLC, for the U.S. DOE [DE-AC05-00OR22725] FX The authors acknowledge support from the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Office of Basic Energy Sciences, U.S. Department of Energy. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. DOE under Contract No. DE-AC05-00OR22725. NR 43 TC 9 Z9 9 U1 2 U2 52 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD AUG PY 2012 VL 23 IS 4 BP 522 EP 528 DI 10.1016/j.copbio.2012.01.002 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 998UO UT WOS:000308266100005 PM 22321942 ER PT J AU Karsenty, F Sarathy, SM Togbe, C Westbrook, CK Dayma, G Dagaut, P Mehl, M Pitz, WJ AF Karsenty, F. Sarathy, S. M. Togbe, C. Westbrook, C. K. Dayma, G. Dagaut, P. Mehl, M. Pitz, W. J. TI Experimental and Kinetic Modeling Study of 3-Methylheptane in a Jet-Stirred Reactor SO ENERGY & FUELS LA English DT Article ID RAPID COMPRESSION; ISOMERS; HEPTANE; COMBUSTION AB Improving the combustion of conventional and alternative fuels in practical applications requires the fundamental understanding of large hydrocarbon combustion chemistry. The focus of the present study is on a high-molecular-weight branched alkane, namely, 3-methylheptane, oxidized in a jet-stirred reactor. This fuel, along with 2-methylheptane, 2,5-dimethylhexane, and n-octane, are candidate surrogate components for conventional diesel fuels derived from petroleum, synthetic Fischer-Tropsch diesel and jet fuels derived from coal, natural gas, and/or biomass, and renewable diesel and jet fuels derived from the thermochemical treatment of bioderived fats and oils. This study presents new experimental results along with a low- and high-temperature chemical kinetic model for the oxidation of 3-methylheptane. The proposed model is validated against these new experimental data from a jet-stirred reactor operated at 10 atm, over the temperature range of 530-1220 K, and for equivalence ratios of 0.5, 1, and 2. Significant effort is placed on the understanding of the effects of methyl substitution on important combustion properties, such as fuel reactivity and species formation. It was found that 3-methylheptane reacts more slowly than 2-methylheptane at both low and high temperatures in the jet-stirred reactor. C1 [Sarathy, S. M.] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Makkah, Saudi Arabia. [Karsenty, F.; Togbe, C.; Dayma, G.; Dagaut, P.] CNRS, Inst Sci Ingn & Syst INSIS, F-45071 Orleans, France. [Westbrook, C. K.; Mehl, M.; Pitz, W. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sarathy, SM (reprint author), King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Makkah, Saudi Arabia. EM mani.sarathy@kaust.edu.sa RI Dagaut, Philippe/C-1709-2008; Sarathy, S. Mani/M-5639-2015; Mehl, Marco/A-8506-2009; OI Dagaut, Philippe/0000-0003-4825-3288; Sarathy, S. Mani/0000-0002-3975-6206; Mehl, Marco/0000-0002-2227-5035; Dayma, Guillaume/0000-0003-2761-657X FU U.S. Department of Energy by the LLNL [DE-AC52-07NA27344]; Office of Naval Research; Office of Vehicle Technologies, U.S. Department of Energy; European Research Council under the European Community [291049-2G-CSafe]; Natural Sciences and Engineering Research Council of Canada (NSERC); King Abdullah University of Science and Technology FX This work was performed under the auspices of the U.S. Department of Energy by the LLNL under Contract DE-AC52-07NA27344. The work at LLNL was supported by the Office of Naval Research (program manager Sharon Beermann-Curtin) and the Office of Vehicle Technologies, U.S. Department of Energy (program manager Gurpreet Singh). At CNRS, the research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement 291049-2G-CSafe. S. M. Sarathy acknowledges fellowship support from the Natural Sciences and Engineering Research Council of Canada (NSERC) and research funding from the King Abdullah University of Science and Technology. NR 23 TC 19 Z9 19 U1 1 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD AUG PY 2012 VL 26 IS 8 BP 4680 EP 4689 DI 10.1021/ef300852w PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 988ME UT WOS:000307494300009 ER PT J AU Tsujimura, T Pitz, WJ Gillespie, F Curran, HJ Weber, BW Zhang, Y Sung, CJ AF Tsujimura, Taku Pitz, William J. Gillespie, Fiona Curran, Henry J. Weber, Bryan W. Zhang, Yu Sung, Chih-Jen TI Development of Isopentanol Reaction Mechanism Reproducing Autoignition Character at High and Low Temperatures SO ENERGY & FUELS LA English DT Article ID RAPID COMPRESSION MACHINE; RATE CONSTANTS; SHOCK-TUBE; N-HEPTANE; HYDROGEN-ABSTRACTION; ELEVATED PRESSURES; GAS-PHASE; OXIDATION; IGNITION; RADICALS AB Isopentanol is one of a range of next-generation biofuels that can be produced by advanced biochemical production routes (i.e., genetically engineered metabolic pathways). Isopentanol is a C-5 branched alcohol and is also called 3-methyl-1-butanol. In comparison with the most frequently studied ethanol, the molecular structure of isopentanol has a longer carbon chain and includes a methyl branch. The volumetric energy density of isopentanol is over 30% higher than ethanol. Therefore, isopentanol has the capability to be a better alternative than ethanol to gasoline. In this study, a detailed chemical kinetic model for isopentanol has been developed focusing on autoignition characteristics over a wide range of temperatures. The isopentanol model developed in this study includes high- and low-temperature chemistry. In the isopentanol model, high-temperature chemistry is based on a reaction model for butanol isomers whose reaction paths are quite similar to isopentanol. The low-temperature chemistry is based on a reaction model for isooctane which is a branched molecular structure similar to isopentanol. The model includes a new reaction mechanism for a concerted HO2 elimination, a process recently examined by da Silva et al. for ethanol (J. Phys. Chem. A 2009, 113, 8923). In addition, important reaction mechanisms relevant to low-temperature chemistry were considered in this model. The authors conducted experiments with a shock-tube and a rapid compression machine to evaluate and improve accuracies of this model. The experiments were carried out over a wide range of temperatures, pressures, and equivalence ratios (652-1457 K, 0.7-2.3 MPa, and 0.5-2.0, respectively). Excellent agreement between model calculations and experimental data was achieved under most conditions. Therefore, it is believed that the isopentanol model developed in this study is useful for prediction and analysis of combustion performance involving autoignition processes such as a homogeneous charge compression ignition. C1 [Tsujimura, Taku] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058564, Japan. [Pitz, William J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Gillespie, Fiona; Curran, Henry J.] Natl Univ Ireland Univ Coll Galway, Galway, Ireland. [Weber, Bryan W.; Zhang, Yu; Sung, Chih-Jen] Univ Connecticut, Storrs, CT 06269 USA. RP Tsujimura, T (reprint author), Natl Inst Adv Ind Sci & Technol, 1-2-1 Namiki, Tsukuba, Ibaraki 3058564, Japan. EM tsujimura-taku@aist.go.jp RI Weber, Bryan/C-1493-2011; OI Weber, Bryan/0000-0003-0815-9270; Curran, Henry/0000-0002-5124-8562; Gillespie, Fiona/0000-0002-2603-9961 FU Ministry of Economy, Industry, and Trade (METI) Japan as a part of Japan-U.S. cooperation project for research and standardization of Clean Energy Technologies; U.S. Department of Energy, Office of Vehicle Technologies, Fuel Technologies Program; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Combustion Energy Frontier Research Center, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001198]; Science Foundation Ireland via their Principal Investigator Program [08/IN1./I2055] FX This work was supported by Ministry of Economy, Industry, and Trade (METI) Japan as a part of Japan-U.S. cooperation project for research and standardization of Clean Energy Technologies, and also was supported in part by the U.S. Department of Energy, Office of Vehicle Technologies, Fuel Technologies Program. The authors thank program manager Kevin Stork for their support. The modeling work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The RCM work was supported as part of the Combustion Energy Frontier Research Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (Award DE-SC0001198). The work at NUI Galway was supported by Science Foundation Ireland via their Principal Investigator Program under Grant [08/IN1./I2055]. The authors also thank Marco Mehl, Mani Sarathy, and Charles Westbrook (Lawrence Livermore National Laboratory, Chemical Combustion Group) for useful discussion on chemical kinetics and alcohols, and thank Kenji Yasunaga (NUT Galway at that time, National Defense Academy Japan at present) for his first trial on the shock-tube experiments with isopentanol fueling. NR 76 TC 17 Z9 17 U1 1 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD AUG PY 2012 VL 26 IS 8 BP 4871 EP 4886 DI 10.1021/ef300879k PG 16 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 988ME UT WOS:000307494300029 ER PT J AU Mastalerz, M He, LL Melnichenko, YB Rupp, JA AF Mastalerz, Maria He, Lilin Melnichenko, Yuri B. Rupp, John A. TI Porosity of Coal and Shale: Insights from Gas Adsorption and SANS/USANS Techniques SO ENERGY & FUELS LA English DT Article ID ANGLE NEUTRON-SCATTERING; SIZE DISTRIBUTION; BITUMINOUS COAL; CARBON-DIOXIDE; PORE STRUCTURE; METHANE; ROCKS; MICROSTRUCTURE; ACCESSIBILITY; PRESSURE AB Two Pennsylvanian coal samples (Spr326 and Spr879-IN1) and two Upper Devonian-Mississippian shale samples (MM1 and MM3) from the Illinois Basin were studied with regard to their porosity and pore accessibility. Shale samples are early mature stage as indicated by vitrinite reflectance (R-o) values of 0.55% for MM1 and 0.62% for MM3. The coal samples studied are of comparable maturity to the shale samples, having vitrinite reflectance of 0.52% (Spr326) and 0.62% (Spr879-IN1). Gas (N-2 and CO2) adsorption and small-angle and ultrasmall-angle neutron scattering techniques (SANS/USANS) were used to understand differences in the porosity characteristics of the samples. The results demonstrate that there is a major difference in mesopore (2-50 nm) size distribution between the coal and shale samples, while there was a close similarity in micropore (<2 nm) size distribution. Micropore and mesopore volumes correlate with organic matter content in the samples. Accessibility of pores in coal is pore-size specific and can vary significantly between coal samples; also, higher accessibility corresponds to higher adsorption capacity. Accessibility of pores in shale samples is low. C1 [Mastalerz, Maria; Rupp, John A.] Indiana Univ, Indiana Geol Survey, Bloomington, IN 47405 USA. [He, Lilin; Melnichenko, Yuri B.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Neutron Scattering Directorate, Oak Ridge, TN 37831 USA. RP Mastalerz, M (reprint author), Indiana Univ, Indiana Geol Survey, Bloomington, IN 47405 USA. EM mmastale@indiana.edu OI He, Lilin/0000-0002-9560-8101 FU U.S. Department of Energy, Basic Energy Sciences [DE-SC0006978]; Laboratory Directed Research and Development Program; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; ORNL Postdoctoral Research Associates Program FX The authors acknowledge support from the U.S. Department of Energy, Basic Energy Sciences, Grant No. DE-SC0006978. The research at Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Laboratory Directed Research and Development Program and the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This research was supported in part by the ORNL Postdoctoral Research Associates Program, administered jointly by the ORNL and the Oak Ridge Institute for Science and Education. Excellent comments of three reviewers are greatly appreciated. NR 34 TC 75 Z9 78 U1 8 U2 104 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD AUG PY 2012 VL 26 IS 8 BP 5109 EP 5120 DI 10.1021/ef300735t PG 12 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 988ME UT WOS:000307494300056 ER PT J AU Andriopoulou, M Roussos, E Krupp, N Paranicas, C Thomsen, M Krimigis, S Dougherty, MK Glassmeier, KH AF Andriopoulou, M. Roussos, E. Krupp, N. Paranicas, C. Thomsen, M. Krimigis, S. Dougherty, M. K. Glassmeier, K. -H. TI A noon-to-midnight electric field and nightside dynamics in Saturn's inner magnetosphere, using microsignature observations SO ICARUS LA English DT Article DE Saturn; Saturn, Magnetosphere; Saturn, Satellites; Satellites, Dynamics ID IO PLASMA TORUS; SATELLITES; ENCELADUS; ASYMMETRY; PROTONS; TETHYS; MODEL AB We have created a new, updated catalog of energetic electron microsignature events caused by the moons Tethys and Dione. We used electron data of the MIMI-LEMMS detector that is onboard the Cassini spacecraft, in the energy range 20-300 key and for the period from July 2004 to January 2011. The present study looks at how the location of a moon's wake deviates from the nearly circular orbital path of the body. The radial deviation of the wake from the moon's orbit is a very sensitive tracer of plasma motion in the magnetosphere including its small radial components. The positions of the dropouts the spacecraft detects when it flies through the wakes, or microsignatures, cannot be explained in our study by asymmetric magnetic fields in the inner magnetosphere. Instead, we hypothesize a uniform electric field of around 0.11-0.18 mV/m within 4.4-7.0 R-s approximately, oriented roughly from noon to midnight, to explain the persistent radial offsets of the microsignatures from their expected positions. This corresponds to a radial speed that is at most a few percent of rigid corotation and therefore very difficult to measure by direct means. We additionally report a tendency for microsignatures with non-monotonic energy dispersion to have drifted across the post-midnight sector more than those with zero or monotonic energy dispersion. (C) 2012 Elsevier Inc. All rights reserved. C1 [Andriopoulou, M.; Roussos, E.; Krupp, N.] Max Planck Inst Sonnensyst Forsch, D-37191 Katlenburg Lindau, Germany. [Andriopoulou, M.; Glassmeier, K. -H.] Tech Univ Carolo Wilhelmina Braunschweig, Inst Geophys & Extraterr Phys, D-38106 Braunschweig, Germany. [Paranicas, C.; Krimigis, S.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. [Thomsen, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Krimigis, S.] Acad Athens, Athens, Greece. [Dougherty, M. K.] Univ London Imperial Coll Sci Technol & Med, London, England. RP Andriopoulou, M (reprint author), Max Planck Inst Sonnensyst Forsch, Max Planck Str 2, D-37191 Katlenburg Lindau, Germany. EM andriopoulou@mps.mpg.de RI Paranicas, Christopher/B-1470-2016; OI Paranicas, Christopher/0000-0002-4391-8255; Roussos, Elias/0000-0002-5699-0678 FU German BMWi through the German Space Agency DLR [50 OH 0103, 50 OH 0801, 50 OH 0802, 50 OH 1101, 50 OH 1104]; Max Planck Society FX The German contribution of the Cassini MIMI/LEMMS Instrument was partially financed by the German BMWi through the German Space Agency DLR under Contracts 50 OH 0103, 50 OH 0801, 50 OH 0802, 50 OH 1101 and by the Max Planck Society. Karl-Heinz Glassmeier is financially supported by the German BMWi through the German Space Agency DLR under Contract 50 OH 1104. We thank Andreas Lagg (MPS) for extensive software support, and Martha Kusterer and Jon Vandegriff (both JHUAPL) for reducing the MIMI data. NR 33 TC 20 Z9 20 U1 1 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0019-1035 J9 ICARUS JI Icarus PD AUG PY 2012 VL 220 IS 2 BP 503 EP 513 DI 10.1016/j.icarus.2012.05.010 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 996AU UT WOS:000308057200016 ER PT J AU Schwank, J Marshall, P Brown, D Pease, R Girard, S Gouker, P Gerardin, S AF Schwank, Jim Marshall, Paul Brown, Dennis Pease, Ron Girard, Sylvain Gouker, Pascale Gerardin, Simone TI Untitled SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Editorial Material C1 [Schwank, Jim] Sandia Natl Labs, Livermore, CA 94550 USA. [Gouker, Pascale] MIT, Lincoln Lab, Cambridge, MA 02139 USA. [Gerardin, Simone] Univ Padua, I-35100 Padua, Italy. RP Schwank, J (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. RI GIRARD, Sylvain/A-7981-2013 NR 0 TC 0 Z9 0 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 696 EP 696 DI 10.1109/TNS.2012.2208872 PN 1 PG 1 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XQ UT WOS:000307893700002 ER PT J AU Gerardin, S Bagatin, M Paccagnella, A Schwank, JR Shaneyfelt, MR Blackmore, EW AF Gerardin, S. Bagatin, M. Paccagnella, A. Schwank, J. R. Shaneyfelt, M. R. Blackmore, E. W. TI Proton-Induced Upsets in 41-nm NAND Floating Gate Cells SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT Conference on Radiation Effects on Components and Systems (RADECS)/Radiation Effects Data Workshop CY SEP 19-23, 2011 CL Univ Sevilla, Escuela Super Ingenieros, Seville, SPAIN SP Inst Nacl Tecnica Aeroespacial (INTA), Univ Sevilla, Thales Alenia Space, ALTER Technol Grp, ESA, NASA, JPL (NASA/Cal Tech), RADECS Org, IEEE, Nucl & Plasma Sci Soc (NPSS) HO Univ Sevilla, Escuela Super Ingenieros DE Flash memories; radiation effects; single event upset ID FLASH MEMORIES AB The corruption of floating gate bits due to high-energy protons is analyzed in 41-nm single level NAND Flash memories. Proton-induced upsets at low doses are not negligible in deeply-scaled single-level cell Flash memories, due to a combination of direct and indirect ionization effects, which may lead to threshold voltage shifts larger than 2 V. Upsets cross sections are around 10(-19) cm(2), and increase with proton energy. Variability of energy deposition in the sensitive volume, the sequence of direct and indirect ionizing events, as well as the threshold voltage and electric field reduction associated with each event were included in a model of proton-induced upsets. C1 [Gerardin, S.; Bagatin, M.; Paccagnella, A.] Univ Padua, RREACT Grp, Dipartimento Ingn Informaz, I-35131 Padua, Italy. [Bagatin, M.; Paccagnella, A.] Ist Nazl Fis Nucl, I-35131 Padua, Italy. [Schwank, J. R.; Shaneyfelt, M. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Blackmore, E. W.] TRIUMF, Vancouver, BC V6T 2A3, Canada. RP Gerardin, S (reprint author), Univ Padua, RREACT Grp, Dipartimento Ingn Informaz, I-35131 Padua, Italy. EM simone.ger-ardin@dei.unipd.it NR 16 TC 7 Z9 7 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 838 EP 844 DI 10.1109/TNS.2012.2192750 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XQ UT WOS:000307893700025 ER PT J AU Shaneyfelt, MR Schwank, JR Dodd, PE Stevens, J Vizkelethy, G Swanson, SE Dalton, SM AF Shaneyfelt, Marty R. Schwank, James R. Dodd, Paul E. Stevens, Jeffrey Vizkelethy, Gyorgy Swanson, Scot E. Dalton, Scott M. TI SOI Substrate Removal for SEE Characterization: Techniques and Applications SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT Conference on Radiation Effects on Components and Systems (RADECS)/Radiation Effects Data Workshop CY SEP 19-23, 2011 CL Univ Sevilla, Escuela Super Ingenieros, Seville, SPAIN SP Inst Nacl Tecnica Aeroespacial (INTA), Univ Sevilla, Thales Alenia Space, ALTER Technol Grp, ESA, NASA, JPL (NASA/Cal Tech), RADECS Org, IEEE, Nucl & Plasma Sci Soc (NPSS) HO Univ Sevilla, Escuela Super Ingenieros DE Heavy-ion testing; laser testing; microbeam testing; substrate removal ID SINGLE; SOISRAMS; SILICON; XEF2 AB Techniques for removing the back substrate of SOI devices are described for both packaged devices and devices at the die level. The use of these techniques for microbeam, heavy-ion, and laser testing are illustrated. C1 [Shaneyfelt, Marty R.; Schwank, James R.; Dodd, Paul E.; Stevens, Jeffrey; Vizkelethy, Gyorgy; Swanson, Scot E.; Dalton, Scott M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Shaneyfelt, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM shaneymr@sandia.gov NR 19 TC 4 Z9 4 U1 2 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1142 EP 1148 DI 10.1109/TNS.2012.2189247 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XQ UT WOS:000307893700067 ER PT J AU Ferlet-Cavrois, V Schwank, JR Liu, S Muschitiello, M Beutier, T Javanainen, A Hedlund, A Poivey, C Mohammadzadeh, A Harboe-Sorensen, R Santin, G Nickson, B Menicucci, A Binois, C Peyre, D Hoeffgen, SK Metzger, S Schardt, D Kettunen, H Virtanen, A Berger, G Piquet, B Foy, JC Zafrani, M Truscott, P Poizat, M Bezerra, F AF Ferlet-Cavrois, Veronique Schwank, James R. Liu, Sandra Muschitiello, Michele Beutier, Thierry Javanainen, Arto Hedlund, Alex Poivey, Christian Mohammadzadeh, Ali Harboe-Sorensen, Reno Santin, Giovanni Nickson, Bob Menicucci, Alessandra Binois, Christian Peyre, Daniel Hoeffgen, Stefan Klaus Metzger, Stefan Schardt, Dieter Kettunen, Heikki Virtanen, Ari Berger, Guy Piquet, Bruno Foy, Jean-Claude Zafrani, Max Truscott, Pete Poizat, Marc Bezerra, Francoise TI Influence of Beam Conditions and Energy for SEE Testing SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT Conference on Radiation Effects on Components and Systems (RADECS)/Radiation Effects Data Workshop CY SEP 19-23, 2011 CL Univ Sevilla, Escuela Super Ingenieros, Seville, SPAIN SP Inst Nacl Tecnica Aeroespacial (INTA), Univ Sevilla, Thales Alenia Space, ALTER Technol Grp, ESA, NASA, JPL (NASA/Cal Tech), RADECS Org, IEEE, Nucl & Plasma Sci Soc (NPSS) HO Univ Sevilla, Escuela Super Ingenieros DE Ion beam energy; power MOSFET; species effect; SRAM ID VERTICAL POWER MOSFETS; SINGLE-EVENT UPSET; NUCLEAR-REACTIONS; ION ENERGY; SIMULATION AB The effects of heavy-ion test conditions and beam energy on device response are investigated. These effects are illustrated with two types of test vehicles: SRAMs and power MOSFETs. In addition, GEANT4 simulations have also been performed to better understand the results. Testing to high fluence levels is required to detect rare events. This increases the probability of nu-clear interactions. This is typically the case for power MOSFETs, which are tested at high fluences for single event burnout or gate rupture detection, and for single-event-upset (SEU) measurement in SRAMs below the direct ionization threshold. Differences between various test conditions (e.g., "in air" or vacuum irradiations, with or without degraders) are also explored. Nuclear interactions with any materials in the beam's path can increase the number of high collected charge events potentially impacting the experimental results. A "species" effect has been observed in the power MOSFET devices examined in this work. When the beam energy increases, the single-event-burnout (SEB) voltage is constant, such that the SEB voltage is determined only by the species of the ion beam. The species effect is shown to be due to high collected charge events induced by nuclear interactions, which can lead to premature SEB. If a device is sensitive to the species effect, the worst-case test conditions will be for the heaviest ion species, which can produce the largest linear-energy-transfer (LET) secondaries. SRAMs can also be sensitive to the species effect below the direct ionization threshold LET. For the devices used in this work, the worst-case energy for SEU characterization is similar to 10's MeV/u where the species dominates the device response. In the 10's MeV/u range the heaviest species result in the largest cross sections. However, at very high energies (100's MeV/u), the species is not the dominant parameter because of differences in the population of secondaries created by nuclear interactions. At very high energies the SEU cross section below the direct ionization threshold LET decreases by several orders of magnitude compared to 10's MeV/u SEU data. The results of this work emphasize that there is no such thing as an "ideal" test facility. Nevertheless, these results can be used by experimenters to optimize the integrity of their results for given test conditions. C1 [Ferlet-Cavrois, Veronique; Muschitiello, Michele; Poivey, Christian; Mohammadzadeh, Ali; Harboe-Sorensen, Reno; Santin, Giovanni; Nickson, Bob; Menicucci, Alessandra; Poizat, Marc] European Space Agcy, Estec, NL-2200 AG Noordwijk, Netherlands. [Schwank, James R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Liu, Sandra; Zafrani, Max] Int Rectifier Corp, El Segundo, CA 90245 USA. [Beutier, Thierry; Binois, Christian] EADS Astrium, F-78990 Elancourt, France. [Peyre, Daniel] EADS Astrium, F-78990 Elancourt, France. [Hoeffgen, Stefan Klaus; Metzger, Stefan] Fraunhofer INT, D-53879 Euskirchen, Germany. [Javanainen, Arto; Hedlund, Alex; Kettunen, Heikki; Virtanen, Ari] Univ Jyvaskyla, Dept Phys, Accelerator Lab, Accelerator Lab Survontie 9, FI-40014 Jyvaskyla, Finland. [Schardt, Dieter] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. [Berger, Guy] Catholic Univ Louvain, B-1348 Louvain, Belgium. [Piquet, Bruno; Foy, Jean-Claude] Grand Accelerateur Natl Ions Lourds, F-14076 Caen, France. [Truscott, Pete] QinetiQ, Dept Aerosp Div, Farnborough GU14 0LX, Hants, England. [Bezerra, Francoise] Ctr Natl Etud Spatiales, F-31401 Toulouse 9, France. RP Ferlet-Cavrois, V (reprint author), European Space Agcy, Estec, NL-2200 AG Noordwijk, Netherlands. EM Veronique.Ferlet-Cavrois@esa.int; schwanjr@sandia.gov; sliu1@irf.com; michele.muschitiello@esa.int; Thierry.BEUTIER@astrium.eads.net; arto.javanainen@jyu.fi; alex.hedlund@jyu.fi; christian.poivey@esa.int; ali.moham-madzadeh@esa.int; reno.harboe.sorensen@ziggo.nl; giovanni.santin@esa.int; Bob.Nickson@esa.int; alessandra.menicucci@esa.int; christian.binois@as-trium.eads.net; daniel.peyre@astrium.eads.net; stefan.hoeffgen@int.fraunhofer.de; stefan.met-zger@int.fraunhofer.de; D.Schardt@gsi.de; Heikki.Kettunen@jyu.fi; ari.virtanen@jyu.fi; berger@cyc.ucl.ac.be; piquet@ganil.fr; foy@ganil.fr; mzafran1@irf.com; marc.poizat@esa.int; marc.poizat@esa.int; francoise.bezerra@cnes.fr RI Hoeffgen, Stefan/C-7936-2011; Schardt, Dieter/M-1517-2014; Javanainen, Arto/P-6355-2016; OI Hoeffgen, Stefan/0000-0001-6641-8360; Schardt, Dieter/0000-0001-7851-5993; Javanainen, Arto/0000-0001-7906-3669; Virtanen, Ari/0000-0002-6591-6787 NR 31 TC 9 Z9 9 U1 3 U2 17 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1149 EP 1160 DI 10.1109/TNS.2012.2187681 PN 1 PG 12 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XQ UT WOS:000307893700068 ER PT J AU Griffin, PJ Peters, CD Vehar, DW AF Griffin, Patrick J. Peters, Curtis D. Vehar, David W. TI Recommended Neutron Dosimetry Cross Sections for the Characterization of Neutron Fields SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT Conference on Radiation Effects on Components and Systems (RADECS)/Radiation Effects Data Workshop CY SEP 19-23, 2011 CL Univ Sevilla, Escuela Super Ingenieros, Seville, SPAIN SP Inst Nacl Tecnica Aeroespacial (INTA), Univ Sevilla, Thales Alenia Space, ALTER Technol Grp, ESA, NASA, JPL (NASA/Cal Tech), RADECS Org, IEEE, Nucl & Plasma Sci Soc (NPSS) HO Univ Sevilla, Escuela Super Ingenieros DE Activation; covariance matrix; cross section; dosimetry; iron dpa; spectrum adjustment; spectrum unfold; uncertainty; 1-MeV(Si) ID SPECTRA AB This paper examines the consistency of the latest dosimetry cross sections in benchmark neutron fields. It presents an updated compendium of cross sections which are validated through calculated-to-experimental ratios and verified against previous recommendations. C1 [Griffin, Patrick J.; Vehar, David W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Peters, Curtis D.] Sandia Staffing Alliance, Albuquerque, NM 87110 USA. RP Griffin, PJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pjgriff@sandia.gov; cdpeter@sandia.gov; dwvehar@sandia.gov NR 16 TC 2 Z9 2 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1167 EP 1174 DI 10.1109/TNS.2012.2193900 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XQ UT WOS:000307893700070 ER PT J AU Schwank, JR Shaneyfelt, MR Ferlet-Cavrois, V Dodd, PE Blackmore, EW Pellish, JA Rodbell, KP Heidel, DF Marshall, PW LaBel, KA Gouker, PM Tam, N Wong, R Wen, SJ Reed, RA Dalton, SM Swanson, SE AF Schwank, James R. Shaneyfelt, Marty R. Ferlet-Cavrois, Veronique Dodd, Paul E. Blackmore, Ewart W. Pellish, Jonathan A. Rodbell, Kenneth P. Heidel, David F. Marshall, Paul W. LaBel, Kenneth A. Gouker, Pascale M. Tam, Nelson Wong, Richard Wen, Shi-Jie Reed, Robert A. Dalton, Scott M. Swanson, Scot E. TI Hardness Assurance Testing for Proton Direct Ionization Effects SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT Conference on Radiation Effects on Components and Systems (RADECS)/Radiation Effects Data Workshop CY SEP 19-23, 2011 CL Univ Sevilla, Escuela Super Ingenieros, Seville, SPAIN SP Inst Nacl Tecnica Aeroespacial (INTA), Univ Sevilla, Thales Alenia Space, ALTER Technol Grp, ESA, NASA, JPL (NASA/Cal Tech), RADECS Org, IEEE, Nucl & Plasma Sci Soc (NPSS) HO Univ Sevilla, Escuela Super Ingenieros DE Hardness assurance testing; proton direct ionization effects; single-event upset ID SINGLE-EVENT-UPSETS; NM SOI SRAM; ENERGY AB The potential for using the degraded beam of high-energy proton radiation sources for proton hardness assurance testing for ICs that are sensitive to proton direct ionization effects are explored. SRAMs were irradiated using high energy proton radiation sources (similar to 67 - 70 MeV). The proton energy was degraded using plastic or Al degraders. Peaks in the SEU cross section due to direct ionization were observed. To best observe proton direct ionization effects, one needs to maximize the number of protons in the energy spectrum below the proton energy SEU threshold. SRIM simulations show that there is a tradeoff between increasing the fraction of protons in the energy spectrum with low energies by decreasing the peak energy and the reduction in the total number of protons as protons are stopped in the device as the proton energy is decreased. Two possible methods for increasing the number of low energy protons is to decrease the primary proton energy to reduce the amount of energy straggle and to place the degrader close to the DUT to minimize angular dispersion. These results suggest that high-energy proton radiation sources may be useful for identifying devices sensitive to proton direct ionization. C1 [Schwank, James R.; Shaneyfelt, Marty R.; Dodd, Paul E.; Dalton, Scott M.; Swanson, Scot E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Ferlet-Cavrois, Veronique] ESA ESTEC, NL-2200 AG Noordwijk, Netherlands. [Blackmore, Ewart W.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Pellish, Jonathan A.; LaBel, Kenneth A.] NASA, Goddard Spaceflight Ctr, Greenbelt, MD 20771 USA. [Rodbell, Kenneth P.; Heidel, David F.] IBM TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Marshall, Paul W.] NASA, Brookneal, VA 24528 USA. [Gouker, Pascale M.] MIT, Lincoln Lab, Lexington, MA 02420 USA. [Tam, Nelson] Marvell, Santa Clara, CA 95054 USA. [Wong, Richard; Wen, Shi-Jie] Cisco Syst, San Jose, CA 95134 USA. [Reed, Robert A.] Vanderbilt Univ, Nashville, TN 37203 USA. RP Schwank, JR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM schwanjr@sandia.gov; shaneymr@sandia.gov; Veronique.Ferlet-Cavrois@esa.int; pedodd@sandia.gov; ewb@triumf.ca; jonathan.a.pellish@nasa.gov; rodbell@us.ibm.com; heidel@us.ibm.com; pwmar-shall@aol.com; ken.label@nasa.gov; pgouker@ll.mit.edu; smdalton@sandia.gov; swansose@sandia.gov NR 11 TC 10 Z9 10 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1197 EP 1202 DI 10.1109/TNS.2011.2177862 PN 1 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XQ UT WOS:000307893700074 ER PT J AU Kim, KH Bolotnikov, AE Camarda, GS Tappero, R Hossain, A Cui, Y Franc, J Marchini, L Zappettini, A Fochuk, P Yang, G Gul, R James, RB AF Kim, K. H. Bolotnikov, A. E. Camarda, G. S. Tappero, R. Hossain, A. Cui, Y. Franc, J. Marchini, L. Zappettini, A. Fochuk, P. Yang, G. Gul, R. James, R. B. TI New Approaches for Making Large-Volume and Uniform CdZnTe and CdMnTe Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE II-VI semiconductor materials; cadmium compounds; gamma-ray detectors; semiconductor growth; semiconductor radiation detectors; X-ray detectors ID RADIATION DETECTORS; TE INCLUSIONS; CRYSTALS AB Although CdZnTe (CZT) and CdMnTe (CMT) materials are leading contenders for room-temperature semiconductor detectors, nonetheless, both materials have limitations hindering their full usage in producing economical, uniform, large-volume devices due to their grain/twin boundaries, material purity, secondary-phase Te defects and material segregation. We tried to prevent the generation of twin and subgrain boundaries to achieve large-volume CZT crystals by means of local temperature control between the CZT melt and quartz crucible. Also, we have expanded the understanding of the electrical and structural properties of coherent/incoherent twin boundaries. The high residual impurities in the starting source materials, especially in manganese, were identified as obstacles against obtaining high-performance CMT detectors. We found that purifying manganese telluride (MnTe) via a floating Te melt-zone very effectively removes impurities, leading to better detectors. CMT detectors fabricated with purified material give a 2.1% energy resolution for 662 keV with a Cs-137 gamma source without any electron-loss corrections. Secondary-phase Te defects deteriorate detector performance due to incomplete charge collection caused by charge trapping. In situ growth interface studies reveal the thermo-migration of Te inclusions to CZT melts and the dependence of Te-inclusion size on the cooling rate. The effective segregation coefficient of Zn in the CdTe host is nearly 1.3, so about 5%-6% of Zn deviation was reported in Bridgman-grown CZT (Zn = 10% ingots. Such uncontrolled Zn variations cause a significant variation of the band-gap throughout the ingot and, consequently, affect the nonuniformity of the detectors' responses. Practically, this means that manufacturers cannot cut the ingot parallel to the crystal growth direction. We also demonstrated that the segregation of Zn can be controlled by creating particular thermal environments after growth. C1 [Kim, K. H.; Bolotnikov, A. E.; Camarda, G. S.; Tappero, R.; Hossain, A.; Cui, Y.; Yang, G.; Gul, R.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Franc, J.] Charles Univ Prague, Prague 12116, Czech Republic. [Marchini, L.; Zappettini, A.] IMEM CNR, I-43124 Parma, Italy. [Fochuk, P.] Chernivisti Natl Univ, UA-58012 Chernovtsy, Ukraine. RP Kim, KH (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM khkim@bnl.gov RI Fochuk, Petro/D-9409-2016; Franc, Jan/C-3802-2017; OI Fochuk, Petro/0000-0002-4149-4882; Franc, Jan/0000-0002-9493-3973; ZAPPETTINI, ANDREA/0000-0002-6916-2716 FU US Department of Energy, Office of Nonproliferation Research and Verification [NA 22]; US Department of Energy [DE-AC02-98CH1-886] FX This work was supported by the US Department of Energy, Office of Nonproliferation Research and Verification, NA 22. This work has been authored by Brookhaven Science Associates, LLC, under Contract No. DE-AC02-98CH1-886 with the US Department of Energy. NR 10 TC 10 Z9 10 U1 2 U2 41 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1510 EP 1515 DI 10.1109/TNS.2012.2202917 PN 3 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XS UT WOS:000307893900005 ER PT J AU Crocco, J Franc, J Zazvorka, J Hlidek, P Dieguez, E Babentsov, V Sochinskyi, MV James, RB AF Crocco, J. Franc, J. Zazvorka, J. Hlidek, P. Dieguez, E. Babentsov, V. Sochinskyi, M. V. James, R. B. TI Semi-Insulated Cd1-xZnxTe Grown by the Vertical Gradient Freeze Method SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; crystal growth; detector; photoluminecence; traps ID CRYSTAL-GROWTH; CDTE; DETECTOR AB One of the most fundamental parameters relating to bulk crystal growth of CZT from the melt is the temperature gradient applied at the solid-liquid interface throughout the growth cycle. Cd(1-x)Z(x)Te ingots grown by the vertical gradient freeze method, using dynamic temperature gradients are presented. Several complementary experimental methods have been implemented to investigate the material including mapping of resistivity, photosensitivity, infrared transmission, and measuring the low-temperature photoluminescence. Photoconductivity mapping was performed by the contactless method. Correlation of contactless resistivity and photoconductivity maps illustrate that both parameters are anticorrelated in the middle of the ingots, but correlated towards the tail end of the ingot. This observation is explained in terms of an energy shift of the Fermi level that changes the average occupation of a mid-gap level. This reasoning is further supported by photoluminescence data. C1 [Crocco, J.; Dieguez, E.] Univ Autonoma Madrid, Madrid, Spain. [Franc, J.; Zazvorka, J.; Hlidek, P.] Charles Univ Prague, Inst Phys, Fac Math & Phys, CZ-12116 Prague, Czech Republic. [Babentsov, V.] Natl Acad Sci Ukraine, Dept Phys & Technol Low Dimens Syst, Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Sochinskyi, M. V.] Consorzio CREO, Laquila, Italy. [James, R. B.] Brookhaven Natl Lab, Nonproliferat & Natl Secur Dept, Upton, NY 11973 USA. RP Crocco, J (reprint author), Univ Autonoma Madrid, Madrid, Spain. EM franc@karlov.mff.cuni.cz RI Franc, Jan/C-3802-2017 OI Franc, Jan/0000-0002-9493-3973 FU Grant Agency of the Czech Republic under GACR [102/10/0148]; grant agency of Charles University [48910/2010]; DOE Office of Nonproliferation and Verification [NA22]; [SVV-2010-261306] FX This paper was financially supported by the Grant Agency of the Czech Republic under GACR (102/10/0148) and the grant agency of Charles University (48910/2010). The work was also supported by the grant SVV-2010-261306. One of the authors acknowledges support from the DOE Office of Nonproliferation and Verification, NA22. NR 16 TC 2 Z9 2 U1 1 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1516 EP 1521 DI 10.1109/TNS.2012.2201219 PN 3 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XS UT WOS:000307893900006 ER PT J AU Babentsov, V Franc, J Dieguez, E Sochinskyi, MV James, RB AF Babentsov, V. Franc, J. Dieguez, E. Sochinskyi, M. V. James, R. B. TI Unique Deep Level in Spectroscopic CdZnTe: Compensation, Trapping, and Polarization SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdTe; detector; traps; photoconductivity ID CADMIUM TELLURIDE; ELECTRONIC LEVELS; CDTE; DEFECTS; CD1-XZNXTE; PHOTOLUMINESCENCE; LUMINESCENCE; CRYSTALS; PHOTOCONDUCTIVITY; CDS AB As yet, the role of the main native defects in the compensation, trapping, and polarization of x-ray and gamma-ray room-temperature detectors based on semi-insulated cadmium telluride (CdTe) and cadmium zinc telluride (CdZnTe) is indeterminate. To better quantify it, we assessed the ionization energy, i.e., the binding energy for the hole of the second (2-/1-) acceptor level of Cd vacancies in Cd1-xZnxTe(x approximate to 0.1). We characterized the defects in several ways, including measuring the photoconductivity at below-bandgap excitation, and photoconductivity quenching by comparing their positions in the bandgap with that of the native energy-levels in CdTe quantum dots (QDs) and other II-VI semiconductors. In this way, we determined unambiguously that a deep acceptor, Cd vacancy, behaves as a doubly charged acceptor, and the second ionization level is located at similar to Ev+(0.5 +/- 0.05) eV, i.e., relatively far from the midgap similar to 0.8 eV. This configuration may determine the lifetime of holes, but it does not stabilize precisely the compensation condition, and it is not responsible for electron trapping and polarization. C1 [Babentsov, V.] Natl Acad Sci Ukraine, Dept Phys & Technol Low Dimens Syst, Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Franc, J.] Charles Univ Prague, Inst Phys, Fac Math & Phys, CZ-12116 Prague, Czech Republic. [Dieguez, E.] Univ Autonoma Madrid, Dept Fis Mat, E-28049 Madrid, Spain. [Sochinskyi, M. V.] Consorzio CREO, I-67100 Laquila, Italy. [James, R. B.] Brookhaven Natl Lab, Nonproliferat & Natl Secur Dept, Upton, NY 11973 USA. RP Babentsov, V (reprint author), Natl Acad Sci Ukraine, Dept Phys & Technol Low Dimens Syst, Inst Semicond Phys, UA-03028 Kiev, Ukraine. EM babentsov@isp.kiev.ua; franc@karlov.mff.cuni.cz; ernesto.dieguez@uam.es; mykola.sochynskyi@gmail.com; rjames@bnl.gov RI Franc, Jan/C-3802-2017 OI Franc, Jan/0000-0002-9493-3973 FU Ministry of Education of the Czech Republic [MSM 0021620834]; Grant Agency of the Czech Republic [102/09/H074]; U.S. Department of Energy, Office of Non-Proliferation Research and Engineering [NA-22]; [SVV-2010-261306] FX This work was a part of the research plan MSM 0021620834 that was financed by the Ministry of Education of the Czech Republic and was partly supported by the Grant Agency of the Czech Republic under Contract No. 102/09/H074. The work of K. Franc was supported in part by student Grant No. SVV-2010-261306. The work of R. B. James was supported in part by the U.S. Department of Energy, Office of Non-Proliferation Research and Engineering, NA-22. NR 25 TC 2 Z9 2 U1 0 U2 34 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1531 EP 1535 DI 10.1109/TNS.2012.2191159 PN 3 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XS UT WOS:000307893900009 ER PT J AU Bolotnikov, AE Butcher, J Camarda, GS Cui, Y De Geronimo, G Fried, J Gul, R Fochuk, PM Hamade, M Hossain, A Kim, KH Kopach, OV Petryk, M Vernon, E Yang, G James, RB AF Bolotnikov, A. E. Butcher, J. Camarda, G. S. Cui, Y. De Geronimo, G. Fried, J. Gul, R. Fochuk, P. M. Hamade, M. Hossain, A. Kim, K. H. Kopach, O. V. Petryk, M. Vernon, E. Yang, G. James, R. B. TI Array of Virtual Frisch-Grid CZT Detectors With Common Cathode Readout for Correcting Charge Signals and Rejection of Incomplete Charge-Collection Events SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; crystal defects; virtual Frisch-grid detectors ID POSITION-SENSITIVE DETECTORS; CDZNTE DETECTORS; ELECTRODE GEOMETRY; PERFORMANCE; IMPROVEMENT AB New results from testing an array of 6 x 6 x 15 mm(3) virtual Frisch-grid CdZnTe (CZT) detectors with common-cathode readout for charge signals correction and rejection of incomplete charge collection events (ICC) are presented. The array employs parallelepiped-shaped crystals of a large geometrical aspect ratio with two planar contacts on the top and bottom surfaces (anode and cathode) and an additional shielding electrode placed on the sides to create the virtual Frisch-grid effect. The detectors are arranged in 2 2 or 3 3 detector modules with the common cathode readout by a single electronic channel. Because of the common cathode, the length of the shielding electrode can be further reduced with no adverse effects on the device performance. By implementing a novel technique for rejecting ICC events caused by the extended defects, we can achieve good spectral responses from ordinary CZT crystals, which can be produced with higher yield and at lower cost. For such crystals, the resolution of individual detectors is expected to be in the range of 0.8-1.5% FWHM at 662 keV with an average value of 1.3%. Arrays of virtual Frisch-grid detectors offer a robust and low-cost approach for making large-area detection modules that can potentially substitute for more advanced, but also more expensive and less available, pixel detectors in applications with slightly relaxed requirements on position-and energy-resolution (e. g., for coded aperture telescopes). In addition, such virtual Frisch-grid arrays will require a comparably smaller number of readout channels, which allows for lower power consumption. C1 [Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; De Geronimo, G.; Fried, J.; Gul, R.; Hossain, A.; Petryk, M.; Vernon, E.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Butcher, J.] Geneseo Univ, Geneseo, NY 14454 USA. [Fochuk, P. M.; Kopach, O. V.] Chernivtsi Natl Univ, Chernovtsy, Ukraine. [Hamade, M.] SUNY Stony Brook, Stony Brook, NY 11794 USA. RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM bolotnik@bnl.gov RI Fochuk, Petro/D-9409-2016; Kopach, Oleh/C-3993-2017 OI Fochuk, Petro/0000-0002-4149-4882; Kopach, Oleh/0000-0002-1513-5261 FU U.S. Department of Energy, Office of Nonproliferation Research and Development [NA-22]; BNL's Technology Maturation Award; U.S. Department of Energy [DE-AC02-98CH1-886] FX This work was supported in part by the U.S. Department of Energy, Office of Nonproliferation Research and Development, NA-22, and BNL's Technology Maturation Award. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract DE-AC02-98CH1-886 with the U.S. Department of Energy. NR 14 TC 18 Z9 18 U1 1 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1544 EP 1551 DI 10.1109/TNS.2012.2187932 PN 3 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XS UT WOS:000307893900011 ER PT J AU Mandal, KC Muzykov, PG Krishna, RM Terry, JR AF Mandal, Krishna C. Muzykov, Peter G. Krishna, Ramesh M. Terry, J. Russell TI Characterization of 4H-SiC Epitaxial Layers and High-Resistivity Bulk Crystals for Radiation Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Defects; electron beam induced current (EBIC); semi-insulating (SI); silicon carbide (SiC); soft X-ray detectors; thermally stimulated current (TSC) ID SILICON-CARBIDE; DEFECTS; CENTERS; DIODES AB Defect and electrical characterization of bulk semi-insulating (SI) 4H-SiC crystals and SI and n-type 4H-SiC epitaxial layers grown by chemical vapor deposition (CVD) on highly doped (0001) 4H-SiC substrates is reported. Optical microscopy, electron beam induced current (EBIC) imaging, current-voltage (I-V) measurements, thermally stimulated current (TSC) spectroscopy (94 K-620 K), Hall effect, and van der Pauw measurements have been conducted for characterization and defect correlation studies. Both epitaxial layers exhibited relatively shallow levels related to Al, B, L- and D-centers. Deep level centers in the n-type epitaxial layer peaked at similar to 400 K (E-a similar to 1.1 eV), and similar to 470 K were correlated with IL2 defect and 1.1 eV center in high-purity bulk SI 4H-SiC. The SI epitaxial layer exhibited peak at similar to 290 K (E-a = 0.82-0.87 eV) that was attributed to IL1 and HK2 centers, and at similar to 525 K that was related to intrinsic defects and their complexes with energy levels close to the middle of the band-gap. Results of EBIC and optical microscopy showed segregation of threading dislocations around comet tail defects in the n-type epitaxial layer. The I-V characteristics of the devices on SI epitaxial layer exhibited steps corresponding to the ultimate trap filling of deep centers. The high-temperature resistivity measurements of bulk SI 4H-SiC sample revealed resistivity hysteresis that was attributed to the filling of the deep-level electron trap centers. The responsivity of the n-type epitaxial 4H-SiC detector in the soft X-ray energy range is reported for the first time. C1 [Mandal, Krishna C.; Muzykov, Peter G.; Krishna, Ramesh M.] Univ S Carolina, Dept Elect Engn, Columbia, SC 29208 USA. [Terry, J. Russell] Los Alamos Natl Lab, Space Sci & Applicat Grp ISR 1, Intelligence & Space Res Div, Los Alamos, NM 87545 USA. RP Mandal, KC (reprint author), Univ S Carolina, Dept Elect Engn, Columbia, SC 29208 USA. EM mandalk@cec.sc.edu; rterry@lanl.gov FU Los Alamos National Laboratory/DOE [143479] FX This work was supported in part by the Los Alamos National Laboratory/DOE under Grant #143479. NR 28 TC 15 Z9 15 U1 4 U2 24 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1591 EP 1596 DI 10.1109/TNS.2012.2202916 PN 3 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XS UT WOS:000307893900018 ER PT J AU Cates, JW Hayward, JP Zhang, X Hausladen, PA Dabbs, B AF Cates, J. W. Hayward, J. P. Zhang, X. Hausladen, P. A. Dabbs, B. TI Timing Resolution Study of an Associated Particle Detector for Fast Neutron Imaging SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Associated particle technique; fiber optic faceplate; light transport; scintillator ID MATERIALS IDENTIFICATION SYSTEM; PET DETECTORS; OPTIMIZATION; GENERATOR AB D-T neutron generators have been used as an active interrogation source for associated particle imaging techniques. The D-T reaction yields a 14-MeV neutron and an alpha particle. The kinetics of the reaction allow the directionality and timing of the neutron to be determined utilizing position sensitive detectors for both the alpha and neutron. This information may be used for imaging applications. Since position and timing are required to form images, improved certainty in directional and timing will result in improved imaging performance. This requires maximum light transmission from its origin in the scintillator to conversion at the photosensor. This work is a study of the timing resolution of a first generation associated particle detector. An optical transport code, coupled with a timing model is also used to simulate the timing resolution. Good agreement is shown. Fundamental limits are presented with the aid of simulation and measurements. Based on these results, implications on the next-generation design are discussed. C1 [Cates, J. W.; Hayward, J. P.; Zhang, X.; Hausladen, P. A.; Dabbs, B.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Hayward, J. P.; Hausladen, P. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Cates, JW (reprint author), Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. EM jcates7@utk.edu FU U.S. Department of Homeland Security [2010-DN-077-ARI044-02] FX This work was supported by the U.S. Department of Homeland Security under Grant Award Numer 2010-DN-077-ARI044-02. NR 22 TC 8 Z9 8 U1 0 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1750 EP 1756 DI 10.1109/TNS.2012.2201751 PN 3 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XS UT WOS:000307893900035 ER PT J AU Hoff, JR Arora, R Cressler, JD Deptuch, GW Gui, P Lourenco, NE Wu, G Yarema, RJ AF Hoff, J. R. Arora, R. Cressler, J. D. Deptuch, G. W. Gui, P. Lourenco, N. E. Wu, G. Yarema, R. J. TI Lifetime Studies of 130 nm nMOS Transistors Intended for Long-Duration, Cryogenic High-Energy Physics Experiments SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Cryogenic electronics; degradation; FETs; hot carriers; transistors ID HOT-CARRIER DEGRADATION; PREDICTION; MODEL; CMOS AB Future neutrino physics experiments intend to use unprecedented volumes of liquid argon to fill a time projection chamber in an underground facility. To increase performance, integrated readout electronics should work inside the cryostat. Due to the scale and cost associated with evacuating and filling the cryostat, the electronics will be unserviceable for the duration of the experiment. Therefore, the lifetimes of these circuits must be well in excess of 20 years. The principle mechanism for lifetime degradation of MOSFET devices and circuits operating at cryogenic temperatures is via hot carrier degradation. Choosing a process technology that is, as much as possible, immune to such degradation and developing design techniques to avoid exposure to such damage are the goals. This requires careful investigation and a basic understanding of the mechanisms that underlie hot carrier degradation and the secondary effects they cause in circuits. In this work, commercially available 130 nm nMOS transistors operating at cryogenic temperatures are investigated. The results show that the difference in lifetime for room temperature operation and cryogenic operation for this process are not great and the lifetimes at both 300 K and at 77 K can be projected to more than 20 years at the nominal voltage (1.5 V) for this technology. C1 [Hoff, J. R.; Deptuch, G. W.; Yarema, R. J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Arora, R.; Cressler, J. D.; Lourenco, N. E.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Gui, P.; Wu, G.] So Methodist Univ, Dallas, TX 75205 USA. RP Hoff, JR (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM jimhoff@fnal.gov; cressler@ece.gatech.edu; dep-tuch@fnal.gov; pgui@smu.edu; yarema@fnal.gov FU Fermi Research Alliance LLC [DE-AC02-07CH11359]; United States Department of Energy FX This work was supported by Fermi Research Alliance LLC under Contract DE-AC02-07CH11359 with the United States Department of Energy. NR 22 TC 7 Z9 7 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2012 VL 59 IS 4 BP 1757 EP 1766 DI 10.1109/TNS.2012.2203828 PN 3 PG 10 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 993XS UT WOS:000307893900036 ER PT J AU Ryan, EM Recknagle, KP Liu, W Khaleel, MA AF Ryan, E. M. Recknagle, K. P. Liu, W. Khaleel, M. A. TI The Need for Nano-Scale Modeling in Solid Oxide Fuel Cells SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article; Proceedings Paper CT 3rd International Conference on Advanced Nano Materials (ANM) CY SEP 12-15, 2010 CL Agadir, MOROCCO DE Solid Oxide Fuel Cells; Numerical Modeling; Degradation; Performance; Renewable Energy ID YTTRIA-STABILIZED ZIRCONIA; SOFC BUTTON CELL; COAL SYNGAS; DUSTY-GAS; ANODE; TRANSPORT; PERFORMANCE; DIFFUSION; CATHODE; SYSTEMS AB Solid oxide fuel cells (SOFCs) are high temperature fuel cells, which are being developed for large scale and distributed power systems. SOFCs promise to provide cleaner, more efficient electricity than traditional fossil fuel burning power plants. Research over the last decade has improved the design and materials used in SOFCs to increase their performance and stability for long-term operation; however, there are still challenges for SOFC researchers to overcome before SOFCs can be considered competitive with traditional fossil fuel burning and renewable power systems. In particular degradation due to contaminants in the fuel and oxidant stream is a major challenge facing SOFCs. In this paper we discuss ongoing computational and experimental research into different degradation and design issues in SOFC electrodes. We focus on contaminants in gasified coal which cause electrochemical and structural degradation in the anode, and chromium poisoning which affects the electrochemistry of the cathode. Due to the complex microstructures and multi-physics of SOFCs, multi-scale computational modeling and experimental research is needed to understand the detailed physics behind different degradation mechanisms, the local conditions within the cell which facilitate degradation, and its effects on the overall SOFC performance. We will discuss computational modeling research of SOFCs at the macro-, meso- and nano-scales which is being used to investigate the performance and degradation of SOFCs. We will also discuss the need for a multi-scale modeling framework of SOFCs, and the application of computational and multi-scale modeling to several degradation issues in SOFCs. C1 [Ryan, E. M.; Recknagle, K. P.; Liu, W.; Khaleel, M. A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ryan, EM (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. OI khaleel, mohammad/0000-0001-7048-0749 NR 82 TC 2 Z9 2 U1 0 U2 17 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 AUG PY 2012 VL 12 IS 8 BP 6758 EP 6768 DI 10.1166/jnn.2012.4563 PG 11 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 000IM UT WOS:000308379900101 PM 22962819 ER PT J AU Park, JW Na, YS Hong, SH Ahn, JW Kim, DK Han, H Shim, SB Lee, HJ AF Park, Jin-Woo Na, Yong-Su Hong, Sang Hee Ahn, Joon-Wook Kim, Deok-Kyu Han, Hyunsun Shim, Seong Bo Lee, Hae June TI Simulation of Tokamak SOL and Divertor Region Including Heat Flux Mitigation by Gas Puffing (vol 1, pg 387, 2012) SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Correction C1 [Park, Jin-Woo; Na, Yong-Su; Hong, Sang Hee] Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea. [Ahn, Joon-Wook] Oak Ridge Natl Lab, Div Fus Energy, Oak Ridge, TN 37831 USA. [Kim, Deok-Kyu] Agcy Def Dev, Taejon 305152, South Korea. [Han, Hyunsun] Natl Fus Res Inst, Taejon 305806, South Korea. [Shim, Seong Bo; Lee, Hae June] Pusan Natl Univ, Dept Elect Engn, Pusan 609735, South Korea. RP Park, JW (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea. EM ysna@snu.ac.kr NR 1 TC 0 Z9 0 U1 2 U2 3 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2012 VL 61 IS 4 BP 663 EP 663 DI 10.3938/jkps.61.663 PG 1 WC Physics, Multidisciplinary SC Physics GA 999QI UT WOS:000308328900030 ER PT J AU Alam, TM Jenkins, JE Bolintineanu, DS Stevens, MJ Frischknecht, AL Buitrago, CF Winey, KI Opper, KL Wagener, KB AF Alam, Todd M. Jenkins, Janelle E. Bolintineanu, Dan S. Stevens, Mark J. Frischknecht, Amalie L. Buitrago, C. Francisco Winey, Karen I. Opper, Kathleen L. Wagener, Kenneth B. TI Heterogeneous Coordination Environments in Lithium-Neutralized Ionomers Identified Using H-1 and Li-7 MAS NMR SO MATERIALS LA English DT Article DE MAS NMR; REDOR; lithium ionomer; precise polymer; ionomer ID HYDROGEN-BONDED COMPLEXES; MOLECULAR-DYNAMICS; CHEMICAL-SHIFTS; PRECISE; ISOTOPE; ACID; CRYSTALLIZATION; SPECTROSCOPY; POLYOLEFINS; TEMPERATURE AB The carboxylic acid proton and the lithium coordination environments for precise and random Li-neutralized polyethylene acrylic acid P(E-AA) ionomers were explored using high speed solid-state H-1 and Li-7 MAS NMR. While the Li-7 NMR revealed only a single Li coordination environment, the chemical shift temperature variation was dependent on the precise or random nature of the P(E-AA) ionomer. The H-1 MAS NMR revealed two different carboxylic acid proton environments in these materials. By utilizing H-1-Li-7 rotational echo double resonance (REDOR) MAS NMR experiments, it was demonstrated that the proton environments correspond to different average H-1-Li-7 distances, with the majority of the protonated carboxylic acids having a close through space contact with the Li. Molecular dynamics simulations suggest that the shortest H-1-Li-7 distance corresponds to un-neutralized carboxylic acids directly involved in the coordination environment of Li clusters. These solid-state NMR results show that heterogeneous structural motifs need to be included when developing descriptions of these ionomer materials. C1 [Alam, Todd M.; Jenkins, Janelle E.] Sandia Natl Labs, Dept Nanostruct & Elect Mat, Albuquerque, NM 87185 USA. [Bolintineanu, Dan S.] Sandia Natl Labs, Dept Nanoscale & React Proc, Albuquerque, NM 87185 USA. [Stevens, Mark J.; Frischknecht, Amalie L.] Sandia Natl Labs, Computat Mat Sci & Engn Dept, Albuquerque, NM 87185 USA. [Buitrago, C. Francisco] Univ Penn, Dept Chem & Biomol Engn, Philadelphia, PA 19104 USA. [Winey, Karen I.] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Opper, Kathleen L.] DuPont Co Inc, Cent Res & Dev, Wilmington, DE 19880 USA. [Wagener, Kenneth B.] Univ Florida, Ctr Macromol Sci & Engn, Gainesville, FL 32611 USA. RP Alam, TM (reprint author), Sandia Natl Labs, Dept Nanostruct & Elect Mat, POB 5800, Albuquerque, NM 87185 USA. EM tmalam@sandia.gov; jejenki@sandia.gov; dsbolin@sandia.gov; msteve@sandia.gov; alfrisc@sandia.gov; buitrago@seas.upenn.edu; winey@seas.upenn.edu; Kathleen.Opper@usa.dupont.com; wagener@chem.ufl.edu RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 FU USA Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia Laboratory Directed Research Development (LDRD) program; Army Research Office; [NSF-DMR 11-03858] 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 USA Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The NMR and MD portion of this research was supported by funding from the Sandia Laboratory Directed Research Development (LDRD) program. The authors from the University of Pennsylvania acknowledge funding from NSF-DMR 11-03858. The authors from the University of Florida would like to acknowledge support from the Army Research Office. NR 40 TC 11 Z9 11 U1 1 U2 27 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1996-1944 J9 MATERIALS JI Materials PD AUG PY 2012 VL 5 IS 8 BP 1508 EP 1527 DI 10.3390/ma5081508 PG 20 WC Materials Science, Multidisciplinary SC Materials Science GA 998AP UT WOS:000308209900013 ER PT J AU Murat, D Falahati, V Bertinetti, L Csencsits, R Kornig, A Downing, K Faivre, D Komeili, A AF Murat, Dorothee Falahati, Veesta Bertinetti, Luca Csencsits, Roseann Koernig, Andre Downing, Kenneth Faivre, Damien Komeili, Arash TI The magnetosome membrane protein, MmsF, is a major regulator of magnetite biomineralization in Magnetospirillum magneticum AMB-1 SO MOLECULAR MICROBIOLOGY LA English DT Article ID MAGNETOTACTIC BACTERIA; PROTEOMIC ANALYSIS; GRYPHISWALDENSE; REVEALS; NANOTECHNOLOGY; NANOPARTICLES; NANOCRYSTALS; TOMOGRAPHY; CRYSTALS; CHAINS AB Magnetotactic bacteria (MTB) use magnetosomes, membrane-bound crystals of magnetite or greigite, for navigation along geomagnetic fields. In Magnetospirillum magneticum sp. AMB-1, and other MTB, a magnetosome gene island (MAI) is essential for every step of magnetosome formation. An 8-gene region of the MAI encodes several factors implicated in control of crystal size and morphology in previous genetic and proteomic studies. We show that these factors play a minor role in magnetite biomineralization in vivo. In contrast, MmsF, a previously uncharacterized magnetosome membrane protein encoded within the same region plays a dominant role in defining crystal size and morphology and is sufficient for restoring magnetite synthesis in the absence of the other major biomineralization candidates. In addition, we show that the 18 genes of the mamAB gene cluster of the MAI are sufficient for the formation of an immature magnetosome organelle. Addition of MmsF to these 18 genes leads to a significant enhancement of magnetite biomineralization and an increase in the cellular magnetic response. These results define a new biomineralization protein and lay down the foundation for the design of autonomous gene cassettes for the transfer of the magnetic phenotype in other bacteria. C1 [Murat, Dorothee; Falahati, Veesta; Komeili, Arash] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Bertinetti, Luca; Koernig, Andre; Faivre, Damien] Max Planck Inst Colloids & Interfaces, Dept Biomat, D-14424 Potsdam, Germany. [Csencsits, Roseann; Downing, Kenneth] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Komeili, A (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, 111 Koshland Hall, Berkeley, CA 94720 USA. EM komeili@berkeley.edu RI faivre, damien/D-3713-2009; bertinetti, luca/G-1436-2013; Bertinetti, Luca/M-8242-2016 OI faivre, damien/0000-0001-6191-3389; bertinetti, luca/0000-0002-4666-9610; Bertinetti, Luca/0000-0002-4666-9610 FU David and Lucille Packard Foundation; National Institute of Health [R01GM084122]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-05CH11231]; NIH [GM51487] FX We would like to thank the members of the Komeili lab for their helpful discussions and critical reading of the manuscript. A.K. was supported by a David and Lucille Packard Foundation Fellowship in Science and Engineering and the National Institute of Health (R01GM084122). We would also like to thank M. Wollgarten for access to the HRTEM. K.H.D and R.C. were supported by a US Department of Energy Contract, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 and by NIH Grant GM51487. NR 45 TC 45 Z9 45 U1 1 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0950-382X J9 MOL MICROBIOL JI Mol. Microbiol. PD AUG PY 2012 VL 85 IS 4 BP 684 EP 699 DI 10.1111/j.1365-2958.2012.08132.x PG 16 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 986AA UT WOS:000307310400007 PM 22716969 ER PT J AU Yang, DC Tan, KM Joachimiak, A Bernhardt, TG AF Yang, Desiree C. Tan, Kemin Joachimiak, Andrzej Bernhardt, Thomas G. TI A conformational switch controls cell wall-remodelling enzymes required for bacterial cell division SO MOLECULAR MICROBIOLOGY LA English DT Article ID L-ALANINE AMIDASES; ESCHERICHIA-COLI; BACILLUS-SUBTILIS; STAPHYLOCOCCUS-AUREUS; PEPTIDOGLYCAN HYDROLASE; CRYSTAL-STRUCTURE; INDUCED LYSIS; SEPARATION; RING; LYTM AB Remodelling of the peptidoglycan (PG) exoskeleton is intimately tied to the growth and division of bacteria. Enzymes that hydrolyse PG are critical for these processes, but their activities must be tightly regulated to prevent the generation of lethal breaches in the PG matrix. Despite their importance, the mechanisms regulating PG hydrolase activity have remained elusive. Here we investigate the control of cell division hydrolases called amidases (AmiA, AmiB and AmiC) required for Escherichia coli cell division. Poorly regulated amiB mutants were isolated encoding lytic AmiB variants with elevated basal PG hydrolase activities in vitro. The structure of an AmiB orthologue was also solved, revealing that the active site of AmiB is occluded by a conserved alpha helix. Strikingly, most of the amino acid substitutions in the lytic AmiB variants mapped to this domain and are predicted to disrupt its interaction with the active site. Our results therefore support a model in which cell separation is stimulated by the reversible relief of amidase autoinhibition governed by conserved subcomplexes within the cytokinetic ring. Analogous conformational control mechanisms are likely to be part of a general strategy used to control PG hydrolases present within multienzyme PG-remodelling machines. C1 [Yang, Desiree C.; Bernhardt, Thomas G.] Harvard Univ, Sch Med, Dept Microbiol & Immunobiol, Boston, MA 02115 USA. [Tan, Kemin; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Tan, Kemin; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. RP Bernhardt, TG (reprint author), Harvard Univ, Sch Med, Dept Microbiol & Immunobiol, Boston, MA 02115 USA. EM thomas_bernhardt@hms.harvard.edu FU Massachusetts Life Science Center; Burroughs Wellcome Fund; National Institutes of Health [R01 AI083365-01, GM094585]; US Department of Energy [DE-AC02-06CH11357] FX We thank all members of the Bernhardt lab past and present for helpful suggestions and comments as well as Renee Yang for help with the figures. The plasmid release method was originally developed by William D. Roof and Ryland F. Young to study bacteriophage-induced cell lysis. This work was supported by the Massachusetts Life Science Center, the Burroughs Wellcome Fund, the National Institutes of Health (R01 AI083365-01 for T.G.B. and GM094585 for A.J.), and the US Department of Energy under contract DE-AC02-06CH11357 (A.J.). T.G.B. holds a Career Award in the Biomedical Sciences from the Burroughs Wellcome Fund. NR 54 TC 36 Z9 36 U1 0 U2 15 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0950-382X J9 MOL MICROBIOL JI Mol. Microbiol. PD AUG PY 2012 VL 85 IS 4 BP 768 EP 781 DI 10.1111/j.1365-2958.2012.08138.x PG 14 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 986AA UT WOS:000307310400012 PM 22715947 ER PT J AU Tian, JF Cao, HL Wu, W Yu, QK Guisinger, NP Chen, YP AF Tian, Jifa Cao, Helin Wu, Wei Yu, Qingkai Guisinger, Nathan P. Chen, Yong P. TI Graphene Induced Surface Reconstruction of Cu SO NANO LETTERS LA English DT Article DE Graphene; Cu; STM; strain; surface reconstruction; dislocation ID CHEMICAL-VAPOR-DEPOSITION; SCANNING-TUNNELING-MICROSCOPY; EPITAXIAL GRAPHENE; ATOMIC-STRUCTURE; ELECTRONIC-PROPERTIES; GRAIN-BOUNDARIES; COPPER FOILS; LARGE-AREA; FILMS; SCATTERING AB An atomic-scale study utilizing scanning tunneling microscopy (STM) in ultrahigh vacuum (UHV) is performed on large single crystalline graphene grains synthesized on Cu foil by a chemical vapor deposition (CVD) method. After thermal annealing, we observe the presence of periodic surface depressions (stripe patterns) that exhibit long-range order formed in the area of Cu covered by graphene. We suggest that the observed stripe pattern is a Cu surface reconstruction formed by partial dislocations (which appeared to be stair-rod-like) resulting from the strain induced by the graphene overlayer. In addition, these graphene grains are shown to be more decoupled from the Cu substrate compared to previously studied grains that exhibited Moire patterns. C1 [Guisinger, Nathan P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Tian, Jifa; Cao, Helin; Chen, Yong P.] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Tian, Jifa; Cao, Helin; Chen, Yong P.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Wu, Wei] Univ Houston, Ctr Adv Mat, Houston, TX 77204 USA. [Wu, Wei] Univ Houston, Dept Elect & Comp Engn, Houston, TX 77204 USA. [Yu, Qingkai] SW Texas State Univ, Engn & Commercializat Program, Ingram Sch Engn & Mat Sci, San Marcos, TX 78666 USA. [Chen, Yong P.] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA. RP Guisinger, NP (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nguisinger@anl.gov; yongchen@purdue.edu RI Chen, Yong/K-7017-2012; Cao, Helin/B-5908-2013; Cao, Helin/G-5521-2012; Tian, Jifa/C-4047-2013 OI Chen, Yong/0000-0002-7356-4179; Tian, Jifa/0000-0003-2921-470X FU Argonne National Laboratory (ANL) Center for Nanoscale Materials (CNM) [998]; NSF; DHS; NRI-MIND center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; DOE "SISGR" [DE-FG02-09ER16109] FX This work was performed under the auspices of Argonne National Laboratory (ANL) Center for Nanoscale Materials (CNM) User Research Program (Proposal ID 998) and partially supported by the NSF, DHS and NRI-MIND center. The user facilities at ANL's CNM are supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. N.P.G. acknowledges DOE "SISGR" Contract No. DE-FG02-09ER16109. The authors also thank Prof. C. K. Shih for valuable discussions. NR 45 TC 38 Z9 38 U1 8 U2 185 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 3893 EP 3899 DI 10.1021/nl3002974 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000003 PM 22803962 ER PT J AU Tang, W Dayeh, SA Picraux, ST Huang, JY Tu, KN AF Tang, Wei Dayeh, Shadi A. Picraux, S. Tom Huang, Jian Yu Tu, King-Ning TI Ultrashort Channel Silicon Nanowire Transistors with Nickel Silicide Source/Drain Contacts SO NANO LETTERS LA English DT Article DE Nickel silicide; silicon nanowire; short channel; Schottky barrier field effect transistor; in situ TEM ID FIELD-EFFECT TRANSISTORS; EPITAXIAL-GROWTH; BUILDING-BLOCKS; HETEROSTRUCTURES; PERFORMANCE; CMOS; SI; DEVICES; NISI2 AB We demonstrate the shortest transistor channel length (17 nm) fabricated on a vapor-liquid-solid (VLS) grown silicon nanowire (NW) by a controlled reaction with Ni leads on an in situ transmission electron microscope (TEM) heating stage at a moderate temperature of 400 degrees C. NiSi2 is the leading phase, and the silicide-silicon interface is an atomically sharp type-A interface. At such channel lengths, high maximum on-currents of 890 (mu A/mu m) and a maximum transconductance of 430 (mu S/mu m) were obtained, which pushes forward the performance of bottom-up Si NW Schottky barrier field-effect transistors (SB-FETs). Through accurate control over the silicidation reaction, we provide a systematic study of channel length dependent carrier transport in a large number of SB-FETs with channel lengths in the range of 17 nm to 3.6 mu m. Our device results corroborate with our transport simulations and reveal a characteristic type of short channel effects in SB-FETs, both in on- and off-state, which is different from that in conventional MOSFETs, and that limits transport parameter extraction from SB-FETs using conventional field-effect transconductance measurements. C1 [Tang, Wei; Tu, King-Ning] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90024 USA. [Tang, Wei; Dayeh, Shadi A.; Picraux, S. Tom] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Huang, Jian Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87123 USA. RP Tang, W (reprint author), Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90024 USA. EM weitang@ucla.edu; shadi@lanl.gov RI Tang, Wei/A-6917-2015 OI Tang, Wei/0000-0001-6113-7201 FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was performed, in part, at the Center for Integrated Nanotechnologies (Proposal No. C2011A1023), a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. 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. We thank Blythe Clark from Sandia National Laboratory for providing the in situ TEM heating stage and John Nogan for assistance in fabrication facilities at CINT. NR 47 TC 31 Z9 31 U1 1 U2 62 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 3979 EP 3985 DI 10.1021/nl3011676 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000018 PM 22731955 ER PT J AU Schiros, T Nordlund, D Palova, L Prezzi, D Zhao, LY Kim, KS Wurstbauer, U Gutierrez, C Delongchamp, D Jaye, C Fischer, D Ogasawara, H Pettersson, LGM Reichman, DR Kim, P Hybertsen, MS Pasupathy, AN AF Schiros, Theanne Nordlund, Dennis Palova, Lucia Prezzi, Deborah Zhao, Liuyan Kim, Keun Soo Wurstbauer, Ulrich Gutierrez, Christopher Delongchamp, Dean Jaye, Cherno Fischer, Daniel Ogasawara, Hirohito Pettersson, Lars G. M. Reichman, David R. Kim, Philip Hybertsen, Mark S. Pasupathy, Abhay N. TI Connecting Dopant Bond Type with Electronic Structure in N-Doped Graphene SO NANO LETTERS LA English DT Article DE Nitrogen-doped graphene; workfunction; bonding; electronic structure; X-ray spectroscopy ID X-RAY SPECTROSCOPY; CHEMISORBED MOLECULES; FILMS; ABSORPTION; DEPOSITION; GRAPHITE; SPECTRA AB Robust methods to tune the unique electronic properties of graphene by chemical modification are in great demand due to the potential of the two dimensional material to impact a range of device applications. Here we show that carbon and nitrogen core-level resonant X-ray spectroscopy is a sensitive probe of chemical bonding and electronic structure of chemical dopants introduced in single-sheet graphene films. In conjunction with density functional theory based calculations, we are able to obtain a detailed picture of bond types and electronic structure in graphene doped with nitrogen at the sub-percent level. We show that different N-bond types, including graphitic, pyridinic, and nitrilic, can exist in a single, dilutely N-doped graphene sheet. We show that these various bond types have profoundly different effects on the carrier concentration, indicating that control over the dopant bond type is a crucial requirement in advancing graphene electronics. C1 [Schiros, Theanne] Columbia Univ, Energy Frontier Res Ctr, New York, NY 10027 USA. [Nordlund, Dennis; Ogasawara, Hirohito] Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Palova, Lucia; Reichman, David R.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Prezzi, Deborah] CNR Nanosci Inst, Ctr S3, I-41125 Modena, Italy. [Zhao, Liuyan; Wurstbauer, Ulrich; Gutierrez, Christopher; Kim, Philip; Pasupathy, Abhay N.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Kim, Keun Soo] Sejong Univ, Dept Phys, Seoul 143747, South Korea. [Kim, Keun Soo] Sejong Univ, Graphene Res Inst, Seoul 143747, South Korea. [Delongchamp, Dean] Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA. [Jaye, Cherno] Natl Inst Stand & Technol, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Fischer, Daniel] Natl Inst Stand & Technol, Div Ceram, Gaithersburg, MD 20899 USA. [Pettersson, Lars G. M.] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Hybertsen, Mark S.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Schiros, T (reprint author), Columbia Univ, Energy Frontier Res Ctr, New York, NY 10027 USA. EM ts2526@columbia.edu; apn2108@columbia.edu RI Kim, Keun Soo/C-1601-2013; Prezzi, Deborah/E-8403-2010; Pettersson, Lars/J-4925-2013; Nordlund, Dennis/A-8902-2008; Ogasawara, Hirohito/D-2105-2009; OI Prezzi, Deborah/0000-0002-7294-7450; Pettersson, Lars/0000-0003-1133-9934; Nordlund, Dennis/0000-0001-9524-6908; Ogasawara, Hirohito/0000-0001-5338-1079; Hybertsen, Mark S/0000-0003-3596-9754; Gutierrez, Christopher/0000-0002-8307-6419 FU EFRC Center for Re-Defining Photovoltaic Efficiency through Molecule Scale Control [DE-SC0001085]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; AFOSR [DE-AC02-98CH10886, FA9550-11-1-0010]; National Synchrotron Light Source [DE-AC02-98CH10886]; ONR under Graphene MURI; NSF [CHE-0641523]; NYSTAR; National Research Foundation of Korea (NRF) [2012-0005859, 2011-0029645]; Ministry of Education, Science, and Technology; EU FP7 HYPOMAP network FX Research supported by the EFRC Center for Re-Defining Photovoltaic Efficiency through Molecule Scale Control (award DE-SC0001085). Portions of this research were carried out at beamlines 11-3 and 13-2 at the Stanford Synchrotron Radiation Laboratory, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences, and at the Center for Functional Nanomaterials, and beamlines X-9 and U7A at the National Synchrotron Light Source, Brookhaven National Laboratory, which are supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Support also provided by AFOSR under Grant FA9550-11-1-0010 (A.N.P), for research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, Contract No. DE-AC02-98CH10886 (M.S.H.), and at the National Synchrotron Light Source, Contract No. DE-AC02-98CH10886, by ONR under Graphene MURI (A.P. and P.K.), by NSF under Grant CHE-0641523 (A.P.), by NYSTAR, and by Priority Research Centers Program (2012-0005859), Basic Science Program (2011-0029645) through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science, and Technology (K.S.K). L.G.M.P. acknowledges support from the EU FP7 HYPOMAP network. NR 37 TC 124 Z9 125 U1 17 U2 181 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4025 EP 4031 DI 10.1021/nl301409h PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000025 PM 22746249 ER PT J AU Chen, XL Li, XL Ding, F Xu, W Xiao, J Cao, YL Meduri, P Liu, J Graff, GL Zhang, JG AF Chen, Xilin Li, Xiaolin Ding, Fei Xu, Wu Xiao, Jie Cao, Yuliang Meduri, Praveen Liu, Jun Graff, Gordon L. Zhang, Ji-Guang TI Conductive Rigid Skeleton Supported Silicon as High-Performance Li-Ion Battery Anodes SO NANO LETTERS LA English DT Article DE Silicon; anode; rigid skeleton; core-shell structure; lithium-ion batteries; energy storage; boron carbide ID LITHIUM SECONDARY BATTERIES; LONG CYCLE LIFE; HIGH-CAPACITY; GRAPHITE COMPOSITES; NANOWIRES; ELECTRODES; REDUCTION; STORAGE; MATRIX AB A cost-effective and scalable method is developed to prepare a core shell structured Si/B4C composite with graphite coating with high efficiency, exceptional rate performance, and long-term stability. In this material, conductive B4C with a high Mohs hardness serves not only as micro/nano-millers in the ball-milling process to break down micron-sized Si but also as the conductive rigid skeleton to support the in situ formed sub-10 nm Si particles to alleviate the volume expansion during charge/discharge. The Si/B4C composite is coated with a few graphitic layers to further improve the conductivity and stability of the composite. The Si/B4C/graphite (SBG) composite anode shows excellent cyclability with a specific capacity of similar to 822 mAh.g(-1) (based on the weight of the entire electrode, including binder and conductive carbon) and similar to 94% capacity retention over 100 cycles at 0.3 C rate. This new structure has the potential to provide adequate storage capacity and stability for practical applications and a good opportunity for large-scale manufacturing using commercially available materials and technologies. C1 [Chen, Xilin; Li, Xiaolin; Ding, Fei; Xu, Wu; Xiao, Jie; Cao, Yuliang; Meduri, Praveen; Liu, Jun; Graff, Gordon L.; Zhang, Ji-Guang] Pacific NW Natl Lab, Richland, WA 99354 USA. [Ding, Fei] Tianjin Inst Power Sources, Natl Key Lab Power Sources, Tianjin 300381, Peoples R China. [Cao, Yuliang] Wuhan Univ, Dept Chem, Wuhan 430072, Peoples R China. RP Liu, J (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM jun.liu@pnnl.gov; jiguang.zhang@pnnl.gov RI Chen, Xilin/A-1409-2012; OI Xu, Wu/0000-0002-2685-8684 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; Batteries for Advanced Transportation Technologies (BATT) program [18769]; Department of Energy's Office of Biological and Environmental Research FX J.Z., J.L., X.C., Y.C., and X.L. conceived and designed the experiments. X.C. did the materials synthesis, electrode preparation, cell assembly, and characterization. X. L, W.X., and F.D. prepared the electrolyte. X.L. did the microscopic and XRD work. X.C. wrote the manuscript. XL, J.Z., J.L., G.L.G., J.X., and P.M. edited the manuscript. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, Subcontract No. 18769 under the Batteries for Advanced Transportation Technologies (BATT) program. A portion of the research was performed in 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 36 TC 91 Z9 91 U1 26 U2 224 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4124 EP 4130 DI 10.1021/nl301657y PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000041 PM 22800407 ER PT J AU Wang, CA Chien, JC Fang, H Takei, K Nah, J Plis, E Krishna, S Niknejad, AM Javey, A AF Wang, Chuan Chien, Jun-Chau Fang, Hui Takei, Kuniharu Nah, Junghyo Plis, E. Krishna, Sanjay Niknejad, Ali M. Javey, Ali TI Self-Aligned, Extremely High Frequency III-V Metal-Oxide-Semiconductor Field-Effect Transistors on Rigid and Flexible Substrates SO NANO LETTERS LA English DT Article DE III-V-on-insulator; XOI; two-dimensional membranes; radio frequency transistors; flexible electronics ID THIN-FILM TRANSISTORS; HIGH-SPEED; GRAPHENE TRANSISTORS; RADIO-FREQUENCY; INAS; GHZ; ELECTRONICS; CARBON; PERFORMANCE; GATE AB This paper reports the radio frequency (RF) performance of InAs nanomembrane transistors on both mechanically rigid and flexible substrates. We have employed a self-aligned device architecture by using a T-shaped gate structure to fabricate high performance InAs metal-oxide-semiconductor field-effect transistors (MOSFETs) with channel lengths down to 75 nm. RF measurements reveal that the InAs devices made on a silicon substrate exhibit a cutoff frequency (f(t)) of similar to 165 GHz, which is one of the best results achieved in III-V MOSFETs on silicon. Similarly, the devices fabricated on a bendable polyimide substrate provide a f(t) of similar to 105 GHz, representing the best performance achieved for transistors fabricated directly on mechanically flexible substrates. The results demonstrate the potential of III-V-on-insulator platform for extremely high-frequency (EHF) electronics on both conventional silicon and flexible substrates. C1 [Wang, Chuan; Fang, Hui; Takei, Kuniharu; Nah, Junghyo; Javey, Ali] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Wang, Chuan; Fang, Hui; Takei, Kuniharu; Nah, Junghyo; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Plis, E.; Krishna, Sanjay] Univ New Mexico, Albuquerque, NM 87106 USA. RP Javey, A (reprint author), Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. EM ajavey@eecs.berkeley.edu RI Wang, Chuan/B-3649-2011; Fang, Hui/I-8973-2014; Javey, Ali/B-4818-2013; Nah, Junghyo/P-3761-2015 OI Fang, Hui/0000-0002-4651-9786; Nah, Junghyo/0000-0001-9975-239X FU DARPA; MARCO/MSD; Intel; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; World Class University program at Sunchon National University; Sloan Fellowship; AFOSR [FA9550-10-1-0113]; KRISS-GRL program FX The device processing and characterization part of this work were funded by DARPA, MARCO/MSD, and Intel. The materials characterization part of this work was partially supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. A.J. acknowledges support from the World Class University program at Sunchon National University and a Sloan Fellowship. S.K. acknowledges support from AFOSR FA9550-10-1-0113 and the KRISS-GRL program. NR 38 TC 38 Z9 38 U1 2 U2 76 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4140 EP 4145 DI 10.1021/nl301699k PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000043 PM 22746202 ER PT J AU Johnston, DE Yager, KG Nam, CY Ocko, BM Black, CT AF Johnston, Danvers E. Yager, Kevin G. Nam, Chang-Yong Ocko, Benjamin M. Black, Charles T. TI One-Volt Operation of High-Current Vertical Channel Polymer Semiconductor Field-Effect Transistors SO NANO LETTERS LA English DT Article DE Organic semiconductors; field-effect transistor; electronic mobility; semiconducting polymers; wide-angle x-ray scattering; polythiophene ID POLYTHIOPHENE THIN-FILM; REGIOREGULAR POLYTHIOPHENE; CONJUGATED POLYMERS; ORGANIC TRANSISTORS; EFFECT MOBILITY; LITHOGRAPHY; POLY(3-HEXYLTHIOPHENE); FABRICATION; THICKNESS; DEVICES AB We realize a vertical channel polymer semiconductor field effect transistor architecture by confining the organic material within gratings of interdigitated trenches. The geometric space savings of a perpendicular channel orientation results in devices sourcing areal current densities in excess of 40 mA/cm(2), using a one-volt supply voltage, and maintaining near-ideal device operating characteristics. Vertical channel transistors have a similar electronic mobility to that of planar devices using the same polymer semiconductor, consistent with a molecular reorientation within confining trenches we understand through X-ray scattering measurements. C1 [Johnston, Danvers E.; Yager, Kevin G.; Nam, Chang-Yong; Black, Charles T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Ocko, Benjamin M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Black, CT (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ctblack@bnl.gov RI Yager, Kevin/F-9804-2011; Nam, Chang-Yong/D-4193-2009 OI Yager, Kevin/0000-0001-7745-2513; Nam, Chang-Yong/0000-0002-9093-4063 FU U.S. Department of Energy, Basic Energy Sciences, at the Center for Functional Nanomaterials; Materials Sciences and Engineering Division [DE-AC02-98CH10886]; Energy Laboratory Research and Development Initiative at Brookhaven National Laboratory FX The authors gratefully acknowledge A. Stein for fabricating planar device electrodes. This research is supported by the U.S. Department of Energy, Basic Energy Sciences, at the Center for Functional Nanomaterials (D.J., K.Y., C.N., and C.B.) and the Materials Sciences and Engineering Division (B.O.) (Contract No. DE-AC02-98CH10886). This work was partially supported by the Energy Laboratory Research and Development Initiative at Brookhaven National Laboratory. NR 36 TC 22 Z9 22 U1 7 U2 50 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4181 EP 4186 DI 10.1021/nl301759j PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000049 PM 22812715 ER PT J AU Hannah, DC Yang, JH Podsiadlo, P Chan, MKY Demortiere, A Gosztola, DJ Prakapenka, VB Schatz, GC Kortshagen, U Schaller, RD AF Hannah, Daniel C. Yang, Jihua Podsiadlo, Paul Chan, Maria K. Y. Demortiere, Arnaud Gosztola, David J. Prakapenka, Vitali B. Schatz, George C. Kortshagen, Uwe Schaller, Richard D. TI On the Origin of Photoluminescence in Silicon Nanocrystals: Pressure-Dependent Structural and Optical Studies SO NANO LETTERS LA English DT Article DE Quantum dot; nanocrystal; silicon; pressure; photoluminescence; X-ray diffraction; diamond anvil cell ID SI NANOCRYSTALS; QUANTUM DOTS; ROOM-TEMPERATURE; POROUS SILICON; SURFACE-STATES; LUMINESCENCE; LIGHT; TRANSFORMATIONS; TRANSITIONS; DYNAMICS AB A lack of consensus persists regarding the origin of photoluminescence in silicon nanocrystals. Here we report pressure-dependences of X-ray diffraction and photoluminescence from alkane-terminated colloidal particles. We determine the diamond-phase bulk modulus, observe multiple phase transitions, and importantly find a systematic photoluminescence red shift that matches the X-conduction-to-Gamma(valence) transition of bulk crystalline silicon. These results, reinforced by calculations, suggest that the efficient photoluminescence, frequently attributed to defects, arises instead from core-states that remain highly indirect despite quantum confinement. C1 [Hannah, Daniel C.; Schatz, George C.; Schaller, Richard D.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Yang, Jihua; Kortshagen, Uwe] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. [Podsiadlo, Paul; Chan, Maria K. Y.; Demortiere, Arnaud; Gosztola, David J.; Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Prakapenka, Vitali B.] Univ Chicago, Ctr Adv Radiat Sources, Argonne, IL 60439 USA. RP Schaller, RD (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM schaller@anl.gov RI Gosztola, David/D-9320-2011; Kortshagen, Uwe/B-8744-2016 OI Gosztola, David/0000-0003-2674-1379; Kortshagen, Uwe/0000-0001-5944-3656 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-ACO2-06CH11357]; National Science Foundation; Earth Sciences [EAR-0622171]; Department of Energy; Geosciences [DE-FG02-94ER14466]; Center for Advanced Solar Photophysics; Department of Energy, Office of Basic Energy Sciences; Nonequilibrium Energy Research Center (NERC); U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0000989]; Energy Frontier Research Center FX Use of the Center for Nanoscale Materials and 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-ACO2-06CH11357. GeoSoilEnviro-CARS is supported by the National Science Foundation; Earth Sciences (EAR-0622171) and Department of Energy; Geosciences (DE-FG02-94ER14466). J.Y. and U.K. were supported by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the Department of Energy, Office of Basic Energy Sciences. D.C.H. and G.C.S. were supported by the Nonequilibrium Energy Research Center (NERC), which is an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Award Number DE-SC0000989. NR 53 TC 61 Z9 63 U1 6 U2 101 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4200 EP 4205 DI 10.1021/nl301787g PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000052 PM 22757779 ER PT J AU Ha, JW Marchuk, K Fang, N AF Ha, Ji Won Marchuk, Kyle Fang, Ning TI Focused Orientation and Position Imaging (FOPI) of Single Anisotropic Plasmonic Nanoparticles by Total Internal Reflection Scattering Microscopy SO NANO LETTERS LA English DT Article DE Focused orientation imaging; total internal reflection scattering microscopy; gold nanorod; gold film; single-particle tracking ID GOLD NANORODS; ROTATIONAL-DYNAMICS; DIELECTRIC-CONSTANT; POLARIZATION; MOLECULE; TRACKING; SENSORS; ABSORPTION; SURFACES; MATTER AB The defocused orientation and position imaging (DOPI) and polarization-based in-focus imaging techniques have been widely used for detecting rotational motions with anisotropic gold nanorods (AuNRs) as orientation probes. However, these techniques have a number of significant limitations, such as the greatly reduced signal intensity and relatively low spatial and temporal resolutions for out-of-focus AuNRs and the angular degeneracy for in-focus AuNRs. Herein, we present a total internal reflection (TIR) scattering-based focused orientation and position imaging (FOPI) of AuNRs supported on a 50 nm thick gold film, which enables us to overcome the aforementioned limitations. Imaging AuNRs under the TIR scattering microscope provides excellent signal-to-noise ratio and results in no deteriorating images. The scattering patterns of AuNRs on the gold substrate are affected by the strong interaction of the excited dipole in the AuNR with the image dipole in the gold substrate. The doughnut-shaped scattering field distribution allows for high-throughput determination of the three-dimensional spatial orientation of infocus AuNRs within a single frame without angular degeneracy. Therefore, the TIR scattering-based FOPI method is demonstrated to be an outstanding candidate for studying dynamics of functionalized nanoparticles on a large variety of functional surfaces. C1 [Fang, Ning] US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Fang, N (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM nfang@iastate.edu RI Fang, Ning/A-8456-2011 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; U.S. Department of Energy [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract no. DE-AC02-07CH11358. NR 43 TC 21 Z9 22 U1 1 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4282 EP 4288 DI 10.1021/nl301972t PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000065 PM 22793645 ER PT J AU Petkov, V Wanjala, BN Loukrakpam, R Luo, J Yang, LF Zhong, CJ Shastri, S AF Petkov, Valeri Wanjala, Bridgid N. Loukrakpam, Rameshwori Luo, Jin Yang, Lefu Zhong, Chuan-Jian Shastri, Sarvjit TI Pt-Au Alloying at the Nanoscale SO NANO LETTERS LA English DT Article DE High-energy resonant XRD; atomic pair distribution functions; reverse Monte Carlo modeling; structure of metallic nanoparticles; catalysis ID GOLD-PLATINUM NANOPARTICLES; DENSITY-FUNCTIONAL THEORY; X-RAY-DIFFRACTION; ELECTROCATALYTIC ACTIVITY; CATALYTIC-ACTIVITY; NANOCRYSTALLINE PALLADIUM; SOLID-SOLUTIONS; PARTICLE-SIZE; CO OXIDATION; FUEL-CELLS AB The formation of nanosized alloys between a pair of elements, which are largely immiscible in bulk, is examined in the archetypical case of Pt and Au. Element specific resonant high-energy X-ray diffraction experiments coupled to atomic pair distribution functions analysis and computer simulations prove the formation of Pt Au alloys in particles less than 10 nm in size. In the alloys, Au Au and Pt Pt bond lengths differing in 0.1 angstrom are present leading to extra structural distortions as compared to pure Pt and Au particles. The alloys are found to be stable over a wide range of Pt Au compositions and temperatures contrary to what current theory predicts. The alloy-type structure of Pt Au nanoparticles comes along with a high catalytic activity for electrooxidation of methanol making an excellent example of the synergistic effect of alloying at the nanoscale on functional properties. C1 [Petkov, Valeri] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. [Wanjala, Bridgid N.; Loukrakpam, Rameshwori; Luo, Jin; Yang, Lefu; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA. [Shastri, Sarvjit] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. EM petkov@phy.cmich.edu RI Zhong, Chuan-Jian/D-3394-2013 FU DOE-BES [DE-SC0006877]; DOE [DEAC02-06CH11357] FX Work shown in this paper was supported by DOE-BES Grant DE-SC0006877. Work at the Advanced Photion Source was supported by DOE under Contract DEAC02-06CH11357. The authors also thank Dr. Deric Mott for his help with the STEM-EDX experiments. NR 78 TC 40 Z9 41 U1 14 U2 141 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4289 EP 4299 DI 10.1021/nl302329n PG 11 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 984SD UT WOS:000307211000066 PM 22784003 ER PT J AU Regan, W Byrnes, S Gannett, W Ergen, O Vazquez-Mena, O Wang, F Zettl, A AF Regan, William Byrnes, Steven Gannett, Will Ergen, Onur Vazquez-Mena, Oscar Wang, Feng Zettl, Alex TI Screening-Engineered Field-Effect Solar Cells SO NANO LETTERS LA English DT Article DE Photovoltaics; earth abundant semiconductors; electric field effect; Schottky barriers ID GRAPHENE; DIODES AB Photovoltaics (PV) are a promising source of clean renewable energy, but current technologies face a cost-to-efficiency trade-off that has slowed widespread implementation.(1,2) We have developed a PV architecture screening-engineered field-effect photovoltaics (SFPV) that in principle enables fabrication of low-cost, high efficiency PV from virtually any semiconductor, including the promising but hard-to-dope metal oxides, sulfides, and phosphides.(3) Prototype SFPV devices have been constructed and are found to operate successfully in accord with model predictions. C1 [Regan, William; Byrnes, Steven; Gannett, Will; Ergen, Onur; Vazquez-Mena, Oscar; Wang, Feng; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Regan, William; Byrnes, Steven; Gannett, Will; Ergen, Onur; Vazquez-Mena, Oscar; Wang, Feng; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ergen, Onur; Wang, Feng; Zettl, Alex] Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA. RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@berkeley.edu RI Zettl, Alex/O-4925-2016; wang, Feng/I-5727-2015; OI Zettl, Alex/0000-0001-6330-136X; Regan, William/0000-0003-0143-9827; Vazquez Mena, Oscar/0000-0002-9351-550X; Vazquez-Mena, Oscacr/0000-0001-9054-5183 FU Office of Energy Research, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation within the Center of Integrated Nanomechanical Systems [EEC-0832819]; Department of Energy [DE-SC0003949]; National Science Foundation; Swiss National Science Foundation (SNSF); Office of Naval Research (MURI) FX This research was supported in part by the Director, Office of Energy Research, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 which provided for theoretical analysis, design of the experiment, and characterization of the cells; by the National Science Foundation within the Center of Integrated Nanomechanical Systems, under Grant EEC-0832819, which provided for Cu2O synthesis; and by the Office of Naval Research (MURI) which provided for graphene synthesis and assembly. F.W. and S.B. acknowledge support through a Department of Energy Early Career Award, DE-SC0003949. W.R. and S.B. acknowledge support through a National Science Foundation Graduate Research Fellowship, and O.V. acknowledges support by the Swiss National Science Foundation (SNSF). W.R, S.B., F.W., and A.Z. conceived the SFPV device structures, and W.R. and A.Z. conceived the self-gating configuration; S.B. performed all simulations; W.R. fabricated and tested all devices, with assistance from W.G., O.E., and O.V.; W.R., S.B., and A.Z. wrote the paper. All authors discussed the results and commented on the manuscript. NR 24 TC 22 Z9 22 U1 1 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4300 EP 4304 DI 10.1021/nl3020022 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 984SD UT WOS:000307211000067 PM 22800198 ER PT J AU Lee, O Harrington, SA Kursumovic, A Defay, E Wang, HY Bi, ZX Tsai, CF Yan, L Jia, QX MacManus-Driscoll, JL AF Lee, OonJew Harrington, Sophie A. Kursumovic, Ahmed Defay, Emmanuel Wang, Haiyan Bi, Zhenxing Tsai, Chen-Fong Yan, Li Jia, Quanxi MacManus-Driscoll, Judith L. TI Extremely High Tunability and Low Loss in Nanoscaffold Ferroelectric Films SO NANO LETTERS LA English DT Article DE Vertical aligned nanocomposites; ferroelectricity; tunability; loss tangent; microwave dielectrics; tunable radio frequency ID TUNABLE MICROWAVE DEVICES; PULSED-LASER DEPOSITION; THIN-FILMS; DIELECTRIC-PROPERTIES; BA0.6SR0.4TIO3 FILMS; STRAIN CONTROL; CERAMICS AB There are numerous radio frequency and microwave device applications which require materials with high electrical tunability and low dielectric loss. For phased array antenna applications there is also a need for materials which can operate above room temperature and which have a low temperature coefficient of capacitance. We have created a nanoscaffold composite ferroelectric material containing Ba0.6Sr0.4TiO3 and Sm2O3 which has a very high tunability which scales inversely with loss. This behavior is opposite to what has been demonstrated in any previous report. Furthermore, the materials operate from room temperature to above 150 degrees C, while maintaining high tunability and low temperature coefficient of tunability. This new paradigm in dielectric property control comes about because of a vertical strain control mechanism which leads to high tetragonality (c/a ratio of 1.0126) in the BSTO. Tunability values of 75% (200 kV/cm field) were achieved at room temperature in micrometer thick films, the value remaining to >50% at 160 degrees C. Low dielectric loss values of <0.01 were also achieved, significantly lower than reference pure films. C1 [Lee, OonJew; Harrington, Sophie A.; Kursumovic, Ahmed; Defay, Emmanuel; MacManus-Driscoll, Judith L.] Univ Cambridge, Dept Mat Sci, Cambridge CB2 3QZ, England. [Wang, Haiyan; Bi, Zhenxing; Tsai, Chen-Fong] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Bi, Zhenxing; Yan, Li; Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Defay, Emmanuel] CEA, LETI, F-38054 Grenoble, France. RP MacManus-Driscoll, JL (reprint author), Univ Cambridge, Dept Mat Sci, Pembroke St, Cambridge CB2 3QZ, England. EM jld35@cam.ac.uk RI Jia, Q. X./C-5194-2008; Wang, Haiyan/P-3550-2014 OI Wang, Haiyan/0000-0002-7397-1209 FU U.K. Engineering and Physical Sciences Research Council (EPSRC); U.S. National Science Foundation [NSF-1007969]; European Research Council (ERC) [ERC-2009-AdG-247276-NOVOX]; Ministry of Higher Education, Malaysia FX The work was supported by the U.K. Engineering and Physical Sciences Research Council (EPSRC), the U.S. National Science Foundation (Grant No. NSF-1007969), the European Research Council (ERC) (Advanced Investigator Grant ERC-2009-AdG-247276-NOVOX), and the Ministry of Higher Education, Malaysia. We wish to acknowledge the assistance of M. Vickers and the use of the Chemical Database Service at Daresbury. The work at Los Alamos National Laboratory was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. We are also grateful to Dr. T. J. Jackson of the University of Birmingham for fruitful discussions. NR 46 TC 25 Z9 25 U1 9 U2 78 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4311 EP 4317 DI 10.1021/nl302032u PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 984SD UT WOS:000307211000069 PM 22830673 ER PT J AU Brovelli, S Galland, C Viswanatha, R Klimov, VI AF Brovelli, Sergio Galland, Christophe Viswanatha, Ranjani Klimov, Victor I. TI Tuning Radiative Recombination in Cu-Doped Nanocrystals via Electrochemical Control of Surface Trapping SO NANO LETTERS LA English DT Article DE Nanocrystal quantum dot; copper doped nanocrystal; ZnSe/CdSe core/shell; spectro-electrochemistry; trapping; fluorescence line narrowing ID DOPING SEMICONDUCTOR NANOCRYSTALS; INVERTED CORE/SHELL NANOCRYSTALS; ZNSE QUANTUM DOTS; LUMINESCENCE; BLINKING; HETERONANOCRYSTALS; DEPENDENCE; MANGANESE; CRYSTALS; EMITTERS AB The incorporation of copper dopants into II-VI colloidal nanocrystals (NCs) leads to the introduction of intragap electronic states and the development of a new emission feature due to an optical transition which couples the NC conduction band to the Cu-ion state. The mechanism underlying Cu-related emission and specifically the factors that control the branching between the intrinsic and impurity-related emission channels remain unclear. Here, we address this problem by conducting spectro-electrochemical measurements on Cu-doped core/shell ZnSe/CdSe NCs. These measurements indicate that the distribution of photoluminescence (PL) intensity between the intrinsic and the impurity bands as well as the overall PL efficiency can be controlled by varying the occupancy of surface defect sites. Specifically, by activating hole traps under negative electrochemical potential (the Fermi level is raised), we can enhance the Cu band at the expense of band-edge emission, which is consistent with the predominant Cu2+ character of the dopant ions. Furthermore, we observe an overall PL "brightening" under negative potential and "dimming" under positive potential, which we attribute to changes in the occupancy of the electron trap sites (that is, the degree of their electronic passivation) that control nonradiative losses due to electron surface trapping. C1 [Brovelli, Sergio; Galland, Christophe; Viswanatha, Ranjani; Klimov, Victor I.] Los Alamos Natl Lab, Ctr Adv Solar Photophys, Los Alamos, NM 87545 USA. [Brovelli, Sergio] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy. [Viswanatha, Ranjani] Jawaharlal Nehru Ctr Adv Sci Res, Int Ctr Mat Sci, Bangalore 560064, Karnataka, India. [Viswanatha, Ranjani] Jawaharlal Nehru Ctr Adv Sci Res, New Chem Unit, Bangalore 560064, Karnataka, India. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Ctr Adv Solar Photophys, POB 1663, Los Alamos, NM 87545 USA. EM klimov@lanl.gov RI Galland, Christophe/A-1075-2013; OI Galland, Christophe/0000-0001-5627-0796; Brovelli, Sergio/0000-0002-5993-855X; Klimov, Victor/0000-0003-1158-3179 FU Center for Advanced Solar Photophysics, an Energy Frontier Research Center; U.S. Department of Energy (DOE), Office of Science (OS), Office of Basic Energy Sciences (BES); Chemical Sciences, Biosciences, and Geosciences Division of BES, OS, DOE; Los Alamos National Laboratory Directed Research and Development FX C.G. and V.I.K. acknowledge support of the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science (OS), Office of Basic Energy Sciences (BES). R.V. acknowledges support of the Chemical Sciences, Biosciences, and Geosciences Division of BES, OS, DOE. S.B. is supported by the Los Alamos National Laboratory Directed Research and Development Program. We thank Scott A. Crooker for technical assistance in the FLN measurements. NR 46 TC 49 Z9 49 U1 3 U2 110 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2012 VL 12 IS 8 BP 4372 EP 4379 DI 10.1021/nl302182u 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 984SD UT WOS:000307211000080 PM 22793380 ER PT J AU Baglin, CM AF Baglin, Coral M. TI Nuclear Data Sheets for A=192 SO NUCLEAR DATA SHEETS LA English DT Article ID LOW-LYING LEVELS; NEUTRON-DEFICIENT ISOTOPES; MAGNETIC DIPOLE-MOMENTS; GAMMA-RAY INTENSITIES; HIGH-SPIN STATES; INTERNAL CONVERSION COEFFICIENTS; ELECTRIC QUADRUPOLE-MOMENT; EVEN OSMIUM NUCLEI; LINEAR-POLARIZATION MEASUREMENT; MEASURED GYROMAGNETIC RATIOS AB Experimental structure and decay data for all nuclei with mass A=192 (Ta, W, Re, Os, Ir, Pt, Au, fig, Tl, Pb, Bi, Po, At) have been evaluated. This evaluation, covering data received by 15 June 2012, supersedes the 1998 evaluation by G. M. Baglin (Nuclear Data Sheets 84, 717 (1998), literature cutoff August 1998) and the subsequent inclusion in the ENSUE database of the new nuclide At-192 (C. M. Baglin, literature cutoff 16 May 2006). It also incorporates the current evaluation of superdeformed-band information by B. Singh. Since the last publication, Ta-192, W-192 and At-192 have been observed, and an isomeric state has been identified in Re-192. The c decay of Au-192 has been studied using a multidetector array resulting in an extensively revised level scheme for Pt-192. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Baglin, CM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. FU Office of Science, Office of Nuclear Physics, US Department of Energy [DE-AC02-05CH11231] FX Research sponsored by Office of Science, Office of Nuclear Physics, US Department of Energy, under contract DE-AC02-05CH11231. NR 538 TC 31 Z9 31 U1 0 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD AUG-SEP PY 2012 VL 113 IS 8-9 BP 1871 EP 2111 DI 10.1016/j.nds.2012.08.001 PG 241 WC Physics, Nuclear SC Physics GA 996UG UT WOS:000308119700001 ER PT J AU Browne, E Tuli, JK AF Browne, E. Tuli, J. K. TI Nuclear Data Sheets for A=230 SO NUCLEAR DATA SHEETS LA English DT Article ID INTERACTING BOSON MODEL; EVEN ACTINIDE NUCLEI; HIGH-SPIN STATES; STABLE OCTUPOLE DEFORMATION; FISSION HALF-LIVES; N-GAMMA-F; HEAVY-NUCLEI; ALPHA-DECAY; CLUSTER-RADIOACTIVITY; DEFORMED-NUCLEI AB The evaluators present in this publication spectroscopic data and level schemes from radioactive decay and nuclear reactions for all isobars with mass number A=230. This evaluation includes the first experimental evidence of Am-230, produced through the Au-197(Ar-40,3n)Bk-234 (alpha decay to Am-230) reaction, E(Ar-40)=188.4 MeV (2003MoZX). C1 [Browne, E.] Brookhaven Natl Lab, Lawrence Berkeley Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP Browne, E (reprint author), Brookhaven Natl Lab, Lawrence Berkeley Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. FU Office of Nuclear Physics, Office of Science, US Department of Energy [DE-AC02-98CH10946] FX Research sponsored by Office of Nuclear Physics, Office of Science, US Department of Energy, under contract DE-AC02-98CH10946. NR 329 TC 7 Z9 7 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD AUG-SEP PY 2012 VL 113 IS 8-9 BP 2113 EP 2185 DI 10.1016/j.nds.2012.08.002 PG 73 WC Physics, Nuclear SC Physics GA 996UG UT WOS:000308119700002 ER PT J AU Qin, ZZ Jing, JT Zhou, J Liu, CJ Pooser, RC Zhou, ZF Zhang, WP AF Qin, Zhongzhong Jing, Jietai Zhou, Jun Liu, Cunjin Pooser, Raphael C. Zhou, Zhifan Zhang, Weiping TI Compact diode-laser-pumped quantum light source based on four-wave mixing in hot rubidium vapor SO OPTICS LETTERS LA English DT Article ID CONTINUOUS-VARIABLES; NOISE; ENTANGLEMENT; REALIZATION; FREQUENCY AB Using a nondegenerate four-wave mixing process in hot rubidium vapor, we demonstrate a compact diode-laser-pumped system for the generation of intensity-difference squeezing down to 8 kHz with a maximum squeezing of -7 dB. To the best of our knowledge, this is the first demonstration of kilohertz-level intensity-difference squeezing using a semiconductor laser as the pump source. This scheme is of interest for experiments involving atomic ensembles, quantum communications, and precision measurements. The diode-laser-pumped system would extend the range of possible applications for squeezing due to its low cost, ease of operation, and ease of integration. (C) 2012 Optical Society of America C1 [Qin, Zhongzhong; Jing, Jietai; Zhou, Jun; Liu, Cunjin; Zhou, Zhifan; Zhang, Weiping] E China Normal Univ, State Key Lab Precis Spect, Shanghai 200062, Peoples R China. [Qin, Zhongzhong; Jing, Jietai; Zhou, Jun; Liu, Cunjin; Zhou, Zhifan; Zhang, Weiping] E China Normal Univ, Dept Phys, Quantum Inst Light & Atoms, Shanghai 200062, Peoples R China. [Pooser, Raphael C.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Jing, JT (reprint author), E China Normal Univ, State Key Lab Precis Spect, Shanghai 200062, Peoples R China. EM jtjing@phy.ecnu.edu.cn; wpzhang@phy.ecnu.edu.cn RI Zhang, Weiping/L-7020-2014; Zhang, Weiping/E-1076-2017; OI Zhang, Weiping/0000-0001-5098-4042; Pooser, Raphael/0000-0002-2922-453X FU National Basic Research Program of China [2011CB921604]; National Natural Science Foundation of China (NSFC) [10974057]; Shanghai Pujiang Program [09PJ1404400]; Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning; Program for New Century Excellent Talents in University [NCET-10-0383]; Shanghai Municipal Education Commission; Shanghai Education Development Foundation [11SG26]; Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry FX We acknowledge support from the National Basic Research Program of China under grant 2011CB921604, the National Natural Science Foundation of China (NSFC) under grant 10974057, the Shanghai Pujiang Program under grant 09PJ1404400, the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, the Program for New Century Excellent Talents in University (NCET-10-0383), the Shu Guang project supported by Shanghai Municipal Education Commission and Shanghai Education Development Foundation (11SG26), and the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry. We thank Prof. P. D. Lett for stimulating discussions. NR 25 TC 17 Z9 17 U1 0 U2 12 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD AUG 1 PY 2012 VL 37 IS 15 BP 3141 EP 3143 PG 3 WC Optics SC Optics GA 984XM UT WOS:000307226700045 PM 22859112 ER PT J AU Tan, J Lu, M Stein, A Jiang, W AF Tan, Jun Lu, Ming Stein, Aaron Jiang, Wei TI High-purity transmission of a slow light odd mode in a photonic crystal waveguide SO OPTICS LETTERS LA English DT Article ID SILICON-ON-INSULATOR; OPTICAL SWITCH; BANDWIDTH; SLABS AB We demonstrate a novel scheme to control the excitation symmetry for an odd mode in a photonic crystal waveguide and investigate the spectral signature of this slow light mode. An odd-mode Mach-Zehnder coupler is introduced to transform mode symmetry and excite a high-purity odd mode with 20 dB signal contrast over the background. Assisted by a mixed-mode Mach-Zehnder coupler, slow light mode beating can be observed and is utilized to determine the group index of this odd mode. With slow light enhancement, this odd mode can help enable novel miniaturized devices such as one-way waveguides. (C) 2012 Optical Society of America C1 [Tan, Jun; Jiang, Wei] Rutgers State Univ, Dept Elect & Comp Engn, Piscataway, NJ 08854 USA. [Lu, Ming; Stein, Aaron] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Jiang, Wei] Rutgers State Univ, Inst Adv Mat Devices & Nanotechnol, Piscataway, NJ 08854 USA. RP Jiang, W (reprint author), Rutgers State Univ, Dept Elect & Comp Engn, Piscataway, NJ 08854 USA. EM wjiangnj@rci.rutgers.edu RI Jiang, Wei/D-7802-2013; OI Stein, Aaron/0000-0003-4424-5416 FU AFOSR [FA9550-10-C-0049]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work is supported in part by AFOSR Grant No. FA9550-10-C-0049. This research is 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. NR 24 TC 5 Z9 5 U1 0 U2 10 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD AUG 1 PY 2012 VL 37 IS 15 BP 3189 EP 3191 PG 3 WC Optics SC Optics GA 984XM UT WOS:000307226700061 PM 22859128 ER PT J AU Li, Q Grim, JQ Ucer, KB Burger, A Bizarri, GA Moses, WW Williams, RT AF Li, Qi Grim, Joel Q. Ucer, K. B. Burger, A. Bizarri, G. A. Moses, W. W. Williams, R. T. TI Host structure dependence of light yield and proportionality in scintillators in terms of hot and thermalized carrier transport SO PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS LA English DT Article DE hot electrons; group velocity; scintillators; nonproportionality; carrier thermalization AB Several outstanding questions, including why complex halide scintillator host structures allow higher light yield and flatter electron energy response than simple monovalent metal halides, have remained unanswered by current models of luminescence in dense ionization tracks. Our measurements of nonlinear quenching kinetic order, recent literature on hot-electron transport in scintillators, and calculations presented here of hot-electron velocity from band structure of SrI2 and NaI, lead us to expand our previously described diffusion and nonlinear quenching model to include hot-electron transport. Trends in multivalent versus monovalent metal halides, heavier versus lighter halides, and halides versus oxides versus semiconductors can be predicted based on optical phonon frequency, thermalized band edge mobilities, velocity in the upper conduction bands, and hole self-trapping. (c) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Li, Qi; Grim, Joel Q.; Ucer, K. B.; Williams, R. T.] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. [Burger, A.] Fisk Univ, Dept Phys, Nashville, TN 37208 USA. [Bizarri, G. A.; Moses, W. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Li, Q (reprint author), Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. EM liq9@wfu.edu; williams@wfu.edu RI Li, Qi/D-3188-2014 OI Li, Qi/0000-0001-5699-9843 FU National Nuclear Security Administration, Office of Nonproliferation Research and Development of the U.S. Dept. of Energy [NA-22, DE-NA0001012, DE-AC02-05CH11231] FX Supported by the National Nuclear Security Administration, Office of Nonproliferation Research and Development (NA-22) of the U.S. Dept. of Energy, Contracts DE-NA0001012 and DE-AC02-05CH11231. Computations were performed on the Wake Forest University DEAC Cluster with support in part by the University. We thank N. A. W. Holzwarth, Daniel Aberg, and Babak Sadigh for helpful discussions. NR 14 TC 28 Z9 28 U1 0 U2 17 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1862-6254 J9 PHYS STATUS SOLIDI-R JI Phys. Status Solidi-Rapid Res. Lett. PD AUG PY 2012 VL 6 IS 8 BP 346 EP 348 DI 10.1002/pssr.201206258 PG 3 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 994KR UT WOS:000307930100013 ER PT J AU Zabotina, OA Avci, U Cavalier, D Pattathil, S Chou, YH Eberhard, S Danhof, L Keegstra, K Hahn, MG AF Zabotina, Olga A. Avci, Utku Cavalier, David Pattathil, Sivakumar Chou, Yi-Hsiang Eberhard, Stefan Danhof, Linda Keegstra, Kenneth Hahn, Michael G. TI Mutations in Multiple XXT Genes of Arabidopsis Reveal the Complexity of Xyloglucan Biosynthesis SO PLANT PHYSIOLOGY LA English DT Article ID CELL-WALL POLYSACCHARIDES; THALIANA; PLANTS; GALACTOSYLTRANSFERASE; CELLULOSE; ENCODES; DEFICIENT; MUTANTS; CLONING; GROWTH AB Xyloglucan is an important hemicellulosic polysaccharide in dicot primary cell walls. Most of the enzymes involved in xyloglucan synthesis have been identified. However, many important details of its synthesis in vivo remain unknown. The roles of three genes encoding xylosyltransferases participating in xyloglucan biosynthesis in Arabidopsis (Arabidopsis thaliana) were further investigated using reverse genetic, biochemical, and immunological approaches. New double mutants (xxt1 xxt5 and xxt2 xxt5) and a triple mutant (xxt1 xxt2 xxt5) were generated, characterized, and compared with three single mutants and the xxt1 xxt2 double mutant that had been isolated previously. Antibody-based glycome profiling was applied in combination with chemical and immunohistochemical analyses for these characterizations. From the combined data, we conclude that XXT1 and XXT2 are responsible for the bulk of the xylosylation of the glucan backbone, and at least one of these proteins must be present and active for xyloglucan to be made. XXT5 plays a significant but as yet uncharacterized role in this process. The glycome profiling data demonstrate that the lack of detectable xyloglucan does not cause significant compensatory changes in other polysaccharides, although changes in nonxyloglucan polysaccharide amounts cannot be ruled out. Structural rearrangements of the polysaccharide network appear responsible for maintaining wall integrity in the absence of xyloglucan, thereby allowing nearly normal plant growth in plants lacking xyloglucan. Finally, results from immunohistochemical studies, combined with known information about expression patterns of the three genes, suggest that different combinations of xylosyltransferases contribute differently to xyloglucan biosynthesis in the various cell types found in stems, roots, and hypocotyls. C1 [Zabotina, Olga A.; Chou, Yi-Hsiang] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. [Avci, Utku; Pattathil, Sivakumar; Eberhard, Stefan; Hahn, Michael G.] Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 USA. [Cavalier, David; Danhof, Linda; Keegstra, Kenneth] Michigan State Univ, Great Lakes Bioenergy Res Ctr, Dept Energy, Plant Res Lab, E Lansing, MI 48824 USA. RP Zabotina, OA (reprint author), Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. EM zabotina@iastate.edu OI Hahn, Michael/0000-0003-2136-5191; , Sivakumar Pattathil/0000-0003-3870-4137 FU Roy J. Carver Charitable Trust [09-3384]; National Science Foundation Plant Genome Program [IOS-0923992, DBI-0421683]; Department of Energy Great Lakes Bioenergy Research Center, Department of Energy, Office of Science [BER DE-FC02-07ER64494]; Department of Energy [DE-FG02-93ER20097] FX This work was supported by the Roy J. Carver Charitable Trust (2009-2011 grant no. 09-3384 to O.A.Z.), by the National Science Foundation Plant Genome Program (grant no. IOS-0923992 to M. G. H.), by the Department of Energy Great Lakes Bioenergy Research Center, Department of Energy, Office of Science (grant no. BER DE-FC02-07ER64494 to K. K.), and by the Department of Energy-funded Center for Plant and Microbial Complex Carbohydrates (grant no. DE-FG02-93ER20097). The generation of the CCRC series of plant cell wall glycan-directed monoclonal antibodies used in this work was supported by the National Science Foundation Plant Genome Program (grant no. DBI-0421683). NR 43 TC 36 Z9 38 U1 5 U2 34 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 J9 PLANT PHYSIOL JI Plant Physiol. PD AUG PY 2012 VL 159 IS 4 BP 1367 EP 1384 DI 10.1104/pp.112.198119 PG 18 WC Plant Sciences SC Plant Sciences GA 985AX UT WOS:000307236700006 PM 22696020 ER PT J AU Zidenga, T Leyva-Guerrero, E Moon, H Siritunga, D Sayre, R AF Zidenga, Tawanda Leyva-Guerrero, Elisa Moon, Hangsik Siritunga, Dimuth Sayre, Richard TI Extending Cassava Root Shelf Life via Reduction of Reactive Oxygen Species Production SO PLANT PHYSIOLOGY LA English DT Article ID MANIHOT-ESCULENTA CRANTZ; POSTHARVEST PHYSIOLOGICAL DETERIORATION; ALTERNATIVE OXIDASE; PLANT-MITOCHONDRIA; HYDROXYNITRILE LYASE; HYDROGEN-PEROXIDE; OXIDATIVE STRESS; SUPEROXIDE-PRODUCTION; SIGNAL-TRANSDUCTION; ELECTRON-TRANSPORT AB One of the major constraints facing the large-scale production of cassava (Manihot esculenta) roots is the rapid postharvest physiological deterioration (PPD) that occurs within 72 h following harvest. One of the earliest recognized biochemical events during the initiation of PPD is a rapid burst of reactive oxygen species (ROS) accumulation. We have investigated the source of this oxidative burst to identify possible strategies to limit its extent and to extend cassava root shelf life. We provide evidence for a causal link between cyanogenesis and the onset of the oxidative burst that triggers PPD. By measuring ROS accumulation in transgenic low-cyanogen plants with and without cyanide complementation, we show that PPD is cyanide dependent, presumably resulting from a cyanide-dependent inhibition of respiration. To reduce cyanide-dependent ROS production in cassava root mitochondria, we generated transgenic plants expressing a codon-optimized Arabidopsis (Arabidopsis thaliana) mitochondrial alternative oxidase gene (AOX1A). Unlike cytochrome c oxidase, AOX is cyanide insensitive. Transgenic plants overexpressing AOX exhibited over a 10-fold reduction in ROS accumulation compared with wild-type plants. The reduction in ROS accumulation was associated with a delayed onset of PPD by 14 to 21 d after harvest of greenhouse-grown plants. The delay in PPD in transgenic plants was also observed under field conditions, but with a root biomass yield loss in the highest AOX-expressing lines. These data reveal a mechanism for PPD in cassava based on cyanide-induced oxidative stress as well as PPD control strategies involving inhibition of ROS production or its sequestration. C1 [Zidenga, Tawanda; Leyva-Guerrero, Elisa; Moon, Hangsik; Siritunga, Dimuth; Sayre, Richard] Ohio State Univ, Dept Plant Cell & Mol Biol, Columbus, OH 43210 USA. [Zidenga, Tawanda; Leyva-Guerrero, Elisa; Sayre, Richard] Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. [Zidenga, Tawanda; Sayre, Richard] Los Alamos Natl Lab, New Mexico Consortium, Los Alamos, NM 87544 USA. [Leyva-Guerrero, Elisa] Phycal Inc, St Louis, MO 63132 USA. [Moon, Hangsik] Syngenta, Research Pk, NC 27709 USA. [Siritunga, Dimuth] Univ Puerto Rico, Dept Biol, Mayaguez, PR 00680 USA. RP Sayre, R (reprint author), Ohio State Univ, Dept Plant Cell & Mol Biol, Columbus, OH 43210 USA. EM rsayre@newmexicoconsortium.org OI Sayre, Richard/0000-0002-3153-7084 FU Bill and Melinda Gates Foundation; BioCassava Plus Program; Rockefeller Foundation FX This work was supported by the Bill and Melinda Gates Foundation, the BioCassava Plus Program, and the Rockefeller Foundation (to R.S.). NR 66 TC 32 Z9 35 U1 2 U2 40 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD AUG PY 2012 VL 159 IS 4 BP 1396 EP 1407 DI 10.1104/pp.112.200345 PG 12 WC Plant Sciences SC Plant Sciences GA 985AX UT WOS:000307236700008 PM 22711743 ER PT J AU Rennie, EA Hansen, SF Baidoo, EEK Hadi, MZ Keasling, JD Scheller, HV AF Rennie, Emilie A. Hansen, Sara Fasmer Baidoo, Edward E. K. Hadi, Masood Z. Keasling, Jay D. Scheller, Henrik Vibe TI Three Members of the Arabidopsis Glycosyltransferase Family 8 Are Xylan Glucuronosyltransferases SO PLANT PHYSIOLOGY LA English DT Article ID BIOSYNTHETIC HOMOGALACTURONAN GALACTURONOSYLTRANSFERASE; REDUCING END-GROUPS; GLUCURONOXYLAN BIOSYNTHESIS; RHAMNOGALACTURONAN-II; CRYSTAL-STRUCTURE; MUTANTS REVEALS; CELL-WALLS; GLYCOGENIN; GENE; IDENTIFICATION AB Xylan is a major component of the plant cell wall and the most abundant noncellulosic component in the secondary cell walls that constitute the largest part of plant biomass. Dicot glucuronoxylan consists of a linear backbone of beta(1,4)-linked xylose residues substituted with alpha(1,2)-linked glucuronic acid (GlcA). Although several genes have been implicated in xylan synthesis through mutant analyses, the biochemical mechanisms responsible for synthesizing xylan are largely unknown. Here, we show evidence for biochemical activity of GUX1 (for GlcA substitution of xylan 1), a member of Glycosyltransferase Family 8 in Arabidopsis (Arabidopsis thaliana) that is responsible for adding the glucuronosyl substitutions onto the xylan backbone. GUX1 has characteristics typical of Golgi-localized glycosyltransferases and a K-m for UDP-GlcA of 165 mu M. GUX1 strongly favors xylohexaose as an acceptor over shorter xylooligosaccharides, and with xylohexaose as an acceptor, GlcA is almost exclusively added to the fifth xylose residue from the nonreducing end. We also show that several related proteins, GUX2 to GUX5 and Plant Glycogenin-like Starch Initiation Protein6, are Golgi localized and that only two of these proteins, GUX2 and GUX4, have activity as xylan alpha-glucuronosyltransferases. C1 [Rennie, Emilie A.; Hansen, Sara Fasmer; Scheller, Henrik Vibe] Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA. [Baidoo, Edward E. K.; Keasling, Jay D.] Joint BioEnergy Inst, Fuels Synth Div, Emeryville, CA 94608 USA. [Hadi, Masood Z.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA 94551 USA. [Rennie, Emilie A.; Scheller, Henrik Vibe] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.; Scheller, Henrik Vibe] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Scheller, HV (reprint author), Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA. EM hscheller@lbl.gov RI Keasling, Jay/J-9162-2012; Scheller, Henrik/A-8106-2008 OI Keasling, Jay/0000-0003-4170-6088; Scheller, Henrik/0000-0002-6702-3560 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Science Foundation [DGE 1106400]; Carlsberg Foundation [2009_01_0346, 2010_01_0509] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (contract no. DE-AC02-05CH11231), by a Graduate Research Fellowship from the National Science Foundation (grant no. DGE 1106400 to E. A. R.), and by the Carlsberg Foundation (grant nos. 2009_01_0346 and 2010_01_0509 to S.F.H.). NR 48 TC 46 Z9 49 U1 0 U2 28 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 J9 PLANT PHYSIOL JI Plant Physiol. PD AUG PY 2012 VL 159 IS 4 BP 1408 EP 1417 DI 10.1104/pp.112.200964 PG 10 WC Plant Sciences SC Plant Sciences GA 985AX UT WOS:000307236700009 PM 22706449 ER PT J AU Kaur, H Shaker, K Heinzel, N Ralph, J Galis, I Baldwin, IT AF Kaur, Harleen Shaker, Kamel Heinzel, Nicolas Ralph, John Galis, Ivan Baldwin, Ian T. TI Environmental Stresses of Field Growth Allow Cinnamyl Alcohol Dehydrogenase-Deficient Nicotiana attenuata Plants to Compensate for their Structural Deficiencies SO PLANT PHYSIOLOGY LA English DT Article ID ACID-O-METHYLTRANSFERASE; AMMONIA-LYASE GENE; LIGNIN BIOSYNTHESIS; DOWN-REGULATION; ARABIDOPSIS-THALIANA; CELL-WALL; TOBACCO PLANTS; COA-REDUCTASE; BIOETHANOL PRODUCTION; MONOMER COMPOSITION AB The organized lignocellulosic assemblies of cell walls provide the structural integrity required for the large statures of terrestrial plants. Silencing two CINNAMYL ALCOHOL DEHYDROGENASE (CAD) genes in Nicotiana attenuata produced plants (ir-CAD) with thin, red-pigmented stems, low CAD and sinapyl alcohol dehydrogenase activity, low lignin contents, and rubbery, structurally unstable stems when grown in the glasshouse (GH). However, when planted into their native desert habitat, ir-CAD plants produced robust stems that survived wind storms as well as the wild-type plants. Despite efficient silencing of NaCAD transcripts and enzymatic activity, field-grown ir-CAD plants had delayed and restricted spread of red stem pigmentation, a color change reflecting blocked lignification by CAD silencing, and attained wild-type-comparable total lignin contents. The rubbery GH phenotype was largely restored when field-grown ir-CAD plants were protected from wind, herbivore attack, and ultraviolet B exposure and grown in restricted rooting volumes; conversely, it was lost when ir-CAD plants were experimentally exposed to wind, ultraviolet B, and grown in large pots in growth chambers. Transcript and liquid chromatography-electrospray ionization-time-of-flight analysis revealed that these environmental stresses enhanced the accumulation of various phenylpropanoids in stems of field-grown plants; gas chromatography-mass spectrometry and nuclear magnetic resonance analysis revealed that the lignin of field-grown ir-CAD plants had GH-grown comparable levels of sinapaldehyde and syringaldehyde cross-linked into their lignins. Additionally, field-grown ir-CAD plants had short, thick stems with normal xylem element traits, which collectively enabled field-grown ir-CAD plants to compensate for the structural deficiencies associated with CAD silencing. Environmental stresses play an essential role in regulating lignin biosynthesis in lignin-deficient plants. C1 [Kaur, Harleen; Heinzel, Nicolas; Galis, Ivan; Baldwin, Ian T.] Max Planck Inst Chem Ecol, Dept Mol Ecol, D-07745 Jena, Germany. [Shaker, Kamel] Max Planck Inst Chem Ecol, Dept Biosynth Nucl Magnet Resonance, D-07745 Jena, Germany. [Ralph, John] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Dept Biochem, Madison, WI 53706 USA. [Ralph, John] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Dept Energy, Madison, WI 53706 USA. [Galis, Ivan] Okayama Univ, Inst Plant Sci & Resources, Okayama 7100046, Japan. RP Baldwin, IT (reprint author), Max Planck Inst Chem Ecol, Dept Mol Ecol, D-07745 Jena, Germany. EM baldwin@ice.mpg.de RI Galis, Ivan/F-5734-2011; Baldwin, Ian /K-1809-2013; OI Shaker, Kamel/0000-0001-9876-1251 FU Department of Energy Great Lakes Bioenergy Research Center [BER DE-FC02-07ER64494]; Max Planck Society FX This work was supported by the Department of Energy Great Lakes Bioenergy Research Center (grant no. BER DE-FC02-07ER64494 to J.R.) and the Max Planck Society (to H.K., K.S., N.H., I.G., and I.T.B.). NR 117 TC 19 Z9 20 U1 1 U2 35 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD AUG PY 2012 VL 159 IS 4 BP 1545 EP 1570 DI 10.1104/pp.112.196717 PG 26 WC Plant Sciences SC Plant Sciences GA 985AX UT WOS:000307236700020 PM 22645069 ER PT J AU Cazzaniga, S Li, ZR Niyogi, KK Bassi, R Dall'Osto, L AF Cazzaniga, Stefano Li, Zhirong Niyogi, Krishna K. Bassi, Roberto Dall'Osto, Luca TI The Arabidopsis szl1 Mutant Reveals a Critical Role of beta-Carotene in Photosystem I Photoprotection SO PLANT PHYSIOLOGY LA English DT Article ID LIGHT-HARVESTING COMPLEX; SINGLET OXYGEN; HIGHER-PLANTS; ANTENNA COMPLEXES; XANTHOPHYLL CYCLE; TRIPLET-STATES; CHLAMYDOMONAS-REINHARDTII; CHLOROPHYLL FLUORESCENCE; PHOTOOXIDATIVE STRESS; ENERGY-DISSIPATION AB Carotenes and their oxygenated derivatives, the xanthophylls, are structural determinants in both photosystems (PS) I and II. They bind and stabilize photosynthetic complexes, increase the light-harvesting capacity of chlorophyll-binding proteins, and have a major role in chloroplast photoprotection. Localization of carotenoid species within each PS is highly conserved: Core complexes bind carotenes, whereas peripheral light-harvesting systems bind xanthophylls. The specific functional role of each xanthophyll species has been recently described by genetic dissection, however the in vivo role of carotenes has not been similarly defined. Here, we have analyzed the function of carotenes in photosynthesis and photoprotection, distinct from that of xanthophylls, by characterizing the suppressor of zeaxanthin-less (szl) mutant of Arabidopsis (Arabidopsis thaliana) which, due to the decreased activity of the lycopene-beta-cyclase, shows a lower carotene content than wild-type plants. When grown at room temperature, mutant plants showed a lower content in PSI light-harvesting complex I complex than the wild type, and a reduced capacity for chlorophyll fluorescence quenching, the rapidly reversible component of nonphotochemical quenching. When exposed to high light at chilling temperature, szl1 plants showed stronger photoxidation than wild-type plants. Both PSI and PSII from szl1 were similarly depleted in carotenes and yet PSI activity was more sensitive to light stress than PSII as shown by the stronger photoinhibition of PSI and increased rate of singlet oxygen release from isolated PSI light-harvesting complex I complexes of szl1 compared with the wild type. We conclude that carotene depletion in the core complexes impairs photoprotection of both PS under high light at chilling temperature, with PSI being far more affected than PSII. C1 [Cazzaniga, Stefano; Bassi, Roberto; Dall'Osto, Luca] Univ Verona, Dipartimento Biotecnol, I-37134 Verona, Italy. [Li, Zhirong; Niyogi, Krishna K.] Univ Calif Berkeley, Howard Hughes Med Inst, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Li, Zhirong; Niyogi, Krishna K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Bassi, Roberto] Phytosphare Forschungszentrum Julich, Pflanzenwissensch 2, D-52425 Julich, Germany. RP Bassi, R (reprint author), Univ Verona, Dipartimento Biotecnol, I-37134 Verona, Italy. EM roberto.bassi@univr.it OI bassi, roberto/0000-0002-4140-8446 FU Marie Curie Actions-Networks for Initial Training Harvest [PITN-GA-2009-238017]; Ministero delle Politiche Agricole, Alimentari e Forestali BioMassVal [2/01/140]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [449B] FX This work was supported by the Marie Curie Actions-Networks for Initial Training Harvest (grant no. PITN-GA-2009-238017) and by Ministero delle Politiche Agricole, Alimentari e Forestali BioMassVal (grant no. 2/01/140). Z.L. and K.K.N. were supported by a grant from the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (Field Work Proposal no. 449B). NR 87 TC 27 Z9 29 U1 3 U2 54 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD AUG PY 2012 VL 159 IS 4 BP 1745 EP 1758 DI 10.1104/pp.112.201137 PG 14 WC Plant Sciences SC Plant Sciences GA 985AX UT WOS:000307236700034 PM 23029671 ER PT J AU Barillas, JRV Quinn, CF Freeman, JL Lindblom, SD Fakra, SC Marcus, MA Gilligan, TM Alford, ER Wangeline, AL Pilon-Smits, EAH AF Barillas, Jose R. Valdez Quinn, Colin F. Freeman, John L. Lindblom, Stormy D. Fakra, Sirine C. Marcus, Matthew A. Gilligan, Todd M. Alford, Elan R. Wangeline, Ami L. Pilon-Smits, Elizabeth A. H. TI Selenium Distribution and Speciation in the Hyperaccumulator Astragalus bisulcatus and Associated Ecological Partners SO PLANT PHYSIOLOGY LA English DT Article ID LOCATING SELENIFEROUS AREAS; PRAIRIE DOG HERBIVORY; WESTERN UNITED-STATES; MOUNTAIN FRONT RANGE; INDICATOR PLANTS; STANLEYA-PINNATA; PROTECTS PLANTS; INDIAN MUSTARD; ACCUMULATION; TOLERANCE AB The goal of this study was to investigate how plant selenium (Se) hyperaccumulation may affect ecological interactions and whether associated partners may affect Se hyperaccumulation. The Se hyperaccumulator Astragalus bisulcatus was collected in its natural seleniferous habitat, and x-ray fluorescence mapping and x-ray absorption near-edge structure spectroscopy were used to characterize Se distribution and speciation in all organs as well as in encountered microbial symbionts and herbivores. Se was present at high levels (704-4,661 mg kg(-1) dry weight) in all organs, mainly as organic C-Se-C compounds (i.e. Se bonded to two carbon atoms, e. g. methylselenocysteine). In nodule, root, and stem, up to 34% of Se was found as elemental Se, which was potentially due to microbial activity. In addition to a nitrogen-fixing symbiont, the plants harbored an endophytic fungus that produced elemental Se. Furthermore, two Se-resistant herbivorous moths were discovered on A. bisulcatus, one of which was parasitized by a wasp. Adult moths, larvae, and wasps all accumulated predominantly C-Se-C compounds. In conclusion, hyperaccumulators live in association with a variety of Se-resistant ecological partners. Among these partners, microbial endosymbionts may affect Se speciation in hyperaccumulators. Hyperaccumulators have been shown earlier to negatively affect Se-sensitive ecological partners while apparently offering a niche for Se-resistant partners. Through their positive and negative effects on different ecological partners, hyperaccumulators may influence species composition and Se cycling in seleniferous ecosystems. C1 [Barillas, Jose R. Valdez; Quinn, Colin F.; Lindblom, Stormy D.; Pilon-Smits, Elizabeth A. H.] Colorado State Univ, Dept Biol, Ft Collins, CO 80523 USA. [Gilligan, Todd M.] Colorado State Univ, Dept Bioagr Sci & Pest Management, Ft Collins, CO 80523 USA. [Alford, Elan R.] Colorado State Univ, Dept Forest & Rangeland Stewardship, Ft Collins, CO 80523 USA. [Barillas, Jose R. Valdez] Texas A&M Univ, Dept Biol, San Antonio, TX 78224 USA. [Freeman, John L.] Calif State Univ Fresno, Dept Biol, Fresno, CA 93740 USA. [Fakra, Sirine C.; Marcus, Matthew A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Wangeline, Ami L.] Laramie Cty Community Coll, Dept Biol, Cheyenne, WY 82007 USA. RP Pilon-Smits, EAH (reprint author), Colorado State Univ, Dept Biol, Ft Collins, CO 80523 USA. EM epsmits@lamar.colostate.edu OI Alford, Elan/0000-0001-9602-0177 FU National Science Foundation [IOS-0817748]; Office of Science, Basic Energy Sciences, and Division of Materials Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the National Science Foundation (grant no. IOS-0817748 to E.A.H.P.-S.) and by the Office of Science, Basic Energy Sciences, and Division of Materials Science of the U.S. Department of Energy (grant no. DE-AC02-05CH11231 to The Advanced Light Source). NR 56 TC 13 Z9 15 U1 7 U2 42 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD AUG PY 2012 VL 159 IS 4 BP 1834 EP 1844 DI 10.1104/pp.112.199307 PG 11 WC Plant Sciences SC Plant Sciences GA 985AX UT WOS:000307236700040 ER PT J AU Huo, CQ Raadu, MA Lundin, D Gudmundsson, JT Anders, A Brenning, N AF Huo, Chunqing Raadu, Michael A. Lundin, Daniel Gudmundsson, Jon Tomas Anders, Andre Brenning, Nils TI Gas rarefaction and the time evolution of long high-power impulse magnetron sputtering pulses SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article ID PHYSICAL VAPOR-DEPOSITION; MONTE-CARLO-SIMULATION; CROSS-SECTIONS; THIN-FILMS; DISCHARGE; PLASMA; TARGET; IONIZATION; DENSITIES; ELECTRONS AB Model studies of 400 mu s long discharge pulses in high-power impulse magnetron sputtering have been made to study the gas dynamics and plasma chemistry in this type of pulsed processing plasma. Data are taken from an experiment using square voltage pulses applied to an Al target in an Ar atmosphere at 1.8 Pa. The study is limited to low power densities, < 0.5 kW cm(-2), in which the discharge is far away from the runaway self-sputtering mode. The model used is the ionization region model, a time-dependent plasma chemistry discharge model developed for the ionization region in magnetron sputtering discharges. It gives a close fit to the discharge current during the whole pulse, both an initial high-current transient and a later plateau value of constant lower current. The discharge current peak is found to precede a maximum in gas rarefaction of the order of Delta n(Ar)/n(Ar),(0) approximate to 50%. The time durations of the high-current transient, and of the rarefaction maximum, are determined by the time it takes to establish a steady-state diffusional refill of process gas from the surrounding volume. The dominating mechanism for gas rarefaction is ionization losses, with only about 30% due to the sputter wind kick-out process. During the high-current transient, the degree of sputtered metal ionization reaches 65-75%, and then drops to 30-35% in the plateau phase. The degree of self-sputtering (defined here as the metal ion fraction of the total ion current to the target) also varies during the pulse. It grows from zero at pulse start to a maximum of 65-70% coinciding in time with the maximum gas rarefaction, and then stabilizes in the range 40-45% during the plateau phase. The loss in deposition rate that can be attributed to the back-attraction of the ionized sputtered species is also estimated from the model. It is low during the initial 10-20 mu s, peaks around 60% during the high-current transient, and finally stabilizes around 30% during the plateau phase. C1 [Huo, Chunqing; Raadu, Michael A.; Lundin, Daniel; Brenning, Nils] Royal Inst Technol, Sch Elect Engn, Div Space & Plasma Phys, SE-10044 Stockholm, Sweden. [Lundin, Daniel] Linkoping Univ, IFM Mat Phys, Plasma & Coatings Phys Div, SE-58183 Linkoping, Sweden. [Gudmundsson, Jon Tomas] Shanghai Jiao Tong Univ, Univ Michigan Shanghai Jiao Tong Univ Joint Inst, Shanghai 200240, Peoples R China. [Gudmundsson, Jon Tomas] Univ Iceland, Inst Sci, IS-107 Reykjavik, Iceland. [Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Huo, CQ (reprint author), Royal Inst Technol, Sch Elect Engn, Div Space & Plasma Phys, SE-10044 Stockholm, Sweden. EM chunqing@kth.se RI Lundin, Daniel/C-8741-2009; Gudmundsson, Jon/D-2345-2012; Anders, Andre/B-8580-2009; Brenning, Nils/B-5965-2017 OI Lundin, Daniel/0000-0001-8591-1003; Gudmundsson, Jon/0000-0002-8153-3209; Anders, Andre/0000-0002-5313-6505; FU Icelandic Research Fund [072105003]; Swedish Research Council Grant [621-2008-3222]; European Collaboration in Science and Technology (COST Action) [MP0804]; US Department of Energy [DE-AC020-5CH11231] FX This work was partially supported by the Icelandic Research Fund Grant No 072105003, the Swedish Research Council Grant No 621-2008-3222, and by discussion within the European Collaboration in Science and Technology (COST Action MP0804). AA acknowledges support by the US Department of Energy under Contract No DE-AC02-05CH11231. Stimulating discussions with G Stancu and T Minea are gratefully acknowledged. Dr K R Lee is thanked for performing simulations to throwlight on the energy distribution of returning argon atoms. NR 48 TC 31 Z9 31 U1 7 U2 31 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0963-0252 EI 1361-6595 J9 PLASMA SOURCES SCI T JI Plasma Sources Sci. Technol. PD AUG PY 2012 VL 21 IS 4 AR 045004 DI 10.1088/0963-0252/21/4/045004 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 985YY UT WOS:000307307600007 ER PT J AU Leonard, RL Hasan, SA Terekhov, AY Thompson, C Erck, RA Dickerson, JH Johnson, JA AF Leonard, R. L. Hasan, S. A. Terekhov, A. Y. Thompson, C. Erck, R. A. Dickerson, J. H. Johnson, J. A. TI Protective coatings for enhanced performance in biomedical applications SO SURFACE ENGINEERING LA English DT Article DE Coating; Biomedical; Carbon ID DIAMOND-LIKE-CARBON; RAMAN-SPECTROSCOPY; THIN-FILMS; PLASMA TECHNIQUE; IN-VITRO; DEPOSITION; TEMPERATURE; BEHAVIOR AB Biomedical implants such as prosthetic hips and heart stents and instruments used in vivo all have negative performance issues. A common solution, which can also be appropriate for other devices, is to apply a diamond-like carbon thin film in order to enhance the performance of the devices. The films were produced by pulsed laser deposition and characterised by Raman spectroscopy, atomic force microscopy, ball on flat tribometry, contact angle measurements and spectrophotometry. The stability of the films was checked by soaking in simulated body fluid (SBF). The root mean square surface roughness was found to be <1 nm, and a coefficient of friction of 0.08 was produced in a lubricated environment. Contact angles ranged from 65 to 88 degrees. The coatings produced on fused silica had high transparency and showed no delamination after 43 weeks of immersion in SBF. These films have potential to enhance the performance of biomedical implants and instruments. C1 [Leonard, R. L.; Terekhov, A. Y.; Johnson, J. A.] Univ Tennessee, Inst Space, Tullahoma, TN 37388 USA. [Hasan, S. A.; Dickerson, J. H.] Vanderbilt Univ, Nashville, TN 37240 USA. [Thompson, C.] No Illinois Univ, De Kalb, IL 60115 USA. [Erck, R. A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Johnson, JA (reprint author), Univ Tennessee, Inst Space, Tullahoma, TN 37388 USA. EM jjohnson@utsi.edu RI Dickerson, James/F-7950-2013; Johnson, Jacqueline/P-4844-2014 OI Dickerson, James/0000-0001-9636-6303; Johnson, Jacqueline/0000-0003-0830-9275 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Vanderbilt University Discovery Grant FX The authors would like to acknowledge the Center for Nanoscale Materials at Argonne National Laboratory for use of its Raman microscope. Use of the Center for Nanoscale Materials was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. S. A. Hasan and J. H. Dickerson would like to acknowledge support from a Vanderbilt University Discovery Grant. NR 22 TC 2 Z9 2 U1 1 U2 14 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 0267-0844 EI 1743-2944 J9 SURF ENG JI Surf. Eng. PD AUG PY 2012 VL 28 IS 7 BP 473 EP 479 DI 10.1179/1743294412Y.0000000018 PG 7 WC Materials Science, Coatings & Films SC Materials Science GA 994VY UT WOS:000307963500001 ER PT J AU Alayoglu, S Pushkarev, VV Musselwhite, N An, K Beaumont, SK Somorjai, GA AF Alayoglu, Selim Pushkarev, Vladimir V. Musselwhite, Nathan An, Kwangjin Beaumont, Simon K. Somorjai, Gabor A. TI Reforming of C-6 Hydrocarbons Over Model Pt Nanoparticle Catalysts SO TOPICS IN CATALYSIS LA English DT Article DE Pt nanoparticles; Size-control; Hydrogenative reforming; Methylcyclopentane n-Hexane; 2-Methylpentane ID SUPPORTED PLATINUM CATALYSTS; SINGLE-CRYSTAL SURFACES; METHYLCYCLOPENTANE CONVERSION; ISOMERIZATION; HYDROGENOLYSIS; EUROPT-1; PT/SIO2; DEHYDROCYCLIZATION; HYDROGENATION; MECHANISMS AB Size-controlled model Pt nanoparticle catalysts, synthesized by colloidal chemistry, were used to study the hydrogenative reforming of three C-6 hydrocarbons in mixtures with 5:1 excess of H-2: methylcyclopentane, n-hexane and 2-methylpentane. We found a strong particle size dependence on the distribution of different reaction products for the hydrogenolysis of methylcyclopentane. The reactions of 50 Torr methylcyclopentane in 250 Torr H-2 at 320 A degrees C, using 1.5 and 3.0 nm Pt nanoparticles produced predominantly C-6 isomers, especially 2-methylpentane, whereas 5.2 and 11.3 nm Pt nanoparticles were more selective for the formation of benzene. For the hydrogenolysis of n-hexane and 2-methylpentane, strong particle size effects on the turnover rates were observed. Hexane and 2-methylpentane reacted up to an order of magnitude slower over 3.0 nm Pt than over the other particle sizes. At 360 A degrees C the isomerization reactions were more selective than the other reaction pathways over 3.0 nm Pt, which also yielded relatively less benzene. C1 [Alayoglu, Selim; Pushkarev, Vladimir V.; Musselwhite, Nathan; An, Kwangjin; Beaumont, Simon K.; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Alayoglu, Selim; Pushkarev, Vladimir V.; Musselwhite, Nathan; An, Kwangjin; Beaumont, Simon K.; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Pushkarev, Vladimir V.] Corning Corp, Midland, MI 48686 USA. [Beaumont, Simon K.] Univ Durham, Dept Chem, Durham DH1 3LE, England. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu RI Beaumont, Simon/F-5272-2012 OI Beaumont, Simon/0000-0002-1973-9783 FU Office of Science, Department of Energy (DOE-BES); Chevron Corporation; US Department of Energy [DE-AC02-05CH11231] FX This work is funded by Office of Science, Department of Energy (DOE-BES) and Chevron Corporation. Nanoparticle imaging was performed at the Molecular Foundry and the National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the US Department of Energy under Contract # DE-AC02-05CH11231. NR 28 TC 9 Z9 9 U1 4 U2 32 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 J9 TOP CATAL JI Top. Catal. PD AUG PY 2012 VL 55 IS 11-13 BP 723 EP 730 DI 10.1007/s11244-012-9873-4 PG 8 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA 992LU UT WOS:000307778600006 ER PT J AU Jacobs, G Ma, WP Gao, P Todic, B Bhatelia, T Bukur, DB Khalid, S Davis, BH AF Jacobs, Gary Ma, Wenping Gao, Pei Todic, Branislav Bhatelia, Tejas Bukur, Dragomir B. Khalid, Syed Davis, Burtron H. TI Fischer-Tropsch Synthesis: Differences Observed in Local Atomic Structure and Selectivity with Pd Compared to Typical Promoters (Pt, Re, Ru) of Co/Al2O3 Catalysts SO TOPICS IN CATALYSIS LA English DT Article DE Fischer-Tropsch synthesis; Pd-Co/Al2O3; Cobalt catalysts; Selectivity; Reduction promoters ID IN-SITU EXAFS; CO/NAY BIMETALLIC CATALYSTS; SUPPORTED COBALT CATALYSTS; L-III EDGES; REDUCTION PROPERTY; CO HYDROGENATION; REDUCIBILITY; ABSORPTION; XPS; TPR AB Pd was examined as a promoter for Fischer-Tropsch synthesis, and its effects on cobalt oxide reduction and product selectivities relative to commonly used promoters (i.e., Pt, Re, and Ru) at atomically equivalent levels were compared. Pd was identified to promote cobalt oxide reduction to even lower temperatures than Pt and Ru. However, Pd addition deleteriously affected product selectivity, and a clear shift to favor light products was observed. XANES analysis of an activated model catalyst revealed that Pd was in the reduced state. Local atomic structure was examined by EXAFS. Unlike Pt, Re, and Ru promoters, where previous investigations by groups such as Dr. Guczi's and ours have only observed coordination of the promoter with cobalt, Pd displayed both direct coordination to Co as well as other Pd atoms. The results suggest that this feature may be responsible for the measurably higher light gas selectivities observed. C1 [Jacobs, Gary; Ma, Wenping; Gao, Pei; Davis, Burtron H.] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. [Todic, Branislav; Bhatelia, Tejas; Bukur, Dragomir B.] Texas A&M Univ Qatar, Dept Chem Engn, Doha, Qatar. [Khalid, Syed] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Davis, BH (reprint author), Univ Kentucky, Ctr Appl Energy Res, 2540 Res Pk Dr, Lexington, KY 40511 USA. EM burtron.davis@uky.edu RI Jacobs, Gary/M-5349-2015 OI Bhatelia, Tejas/0000-0001-9551-6912; Todic, Branislav/0000-0002-0686-5991; Jacobs, Gary/0000-0003-0691-6717 FU Qatar National Research Fund [NPRP 08-173-2-050]; Commonwealth of Kentucky; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX We thank the Qatar National Research Fund (Grant #NPRP 08-173-2-050) and the Commonwealth of Kentucky for financial support. We would also like to thank Dr. Nebojsa Marinkovic for his assistance at Beamline X-18b. 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. NR 41 TC 12 Z9 12 U1 0 U2 35 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 J9 TOP CATAL JI Top. Catal. PD AUG PY 2012 VL 55 IS 11-13 BP 811 EP 817 DI 10.1007/s11244-012-9856-5 PG 7 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA 992LU UT WOS:000307778600014 ER PT J AU Tromp, RM Wan, W Schramm, SM AF Tromp, R. M. Wan, W. Schramm, S. M. TI Aberrations of the cathode objective lens up to fifth order SO ULTRAMICROSCOPY LA English DT Article DE Aberrations; Uniform field; Cathode lens; Aberration correction; Low Energy Electron Microscopy (LEEM) AB In this paper we discuss a topic that was close to Prof. Gertrude Rempfer s interests for many years. On this occasion of her 100th birthday, we remember and honor Gertrude for her many outstanding contributions, and for the inspiring example that she set. We derive theoretical expressions for the aberration coefficients of the uniform electrostatic field up to 5th order and compare these with raytracing calculations for the cathode lens used in Low Energy Electron Microscopy and Photo Electron Emission Microscopy experiments. These higher order aberration coefficients are of interest for aberration corrected experiments in which chromatic (C-c) and spherical (C-3) aberrations of the microscope are set to zero. The theoretical predictions are in good agreement with the results of raytracing. Calculations of image resolution using the Contrast Transfer Function method show that sub-nanometer resolution is achievable in an aberration corrected LEEM system. (C) 2011 Elsevier B.V. All rights reserved. C1 [Tromp, R. M.] IBM Corp, Div Res, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Wan, W.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Tromp, R. M.; Schramm, S. M.] Leiden Univ, Kamerlingh Onnes Lab, NL-2300 RA Leiden, Netherlands. RP Tromp, RM (reprint author), IBM Corp, Div Res, Thomas J Watson Res Ctr, 1101 Kitchawan Rd,POB 218, Yorktown Hts, NY 10598 USA. EM rtromp@us.ibm.com NR 11 TC 9 Z9 9 U1 0 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD AUG PY 2012 VL 119 SI SI BP 33 EP 39 DI 10.1016/j.ultramic.2011.09.011 PG 7 WC Microscopy SC Microscopy GA 996IU UT WOS:000308079200006 PM 22188906 ER PT J AU Zhou, W Pennycook, SJ Idrobo, JC AF Zhou, Wu Pennycook, Stephen J. Idrobo, Juan-Carlos TI Localization of inelastic electron scattering in the low-loss energy regime SO ULTRAMICROSCOPY LA English DT Article DE Delocalization; Low loss; Plasmon; EELS; Spatial resolution; STEM; Graphene ID SPATIAL-RESOLUTION; LOSS SPECTROSCOPY; IMAGE-FORMATION; MICROSCOPY; EELS; INTERFACE AB The spatial resolution and contrast level in electron energy-loss spectroscopy (EELS) imaging depend on the delocalization of the inelastic electron scattering cross sections. Theoretical calculations within the dipole approximation provide the lower limit for the delocalization of low loss signals, and suggest that atomic resolution EELS imaging in the low loss energy regime (< 50 eV) should be possible. Here, we directly measure the localization of the inelastic electron scattering at different energy loss in the low loss regime using a clean open edge of monolayer graphene. Our results demonstrate that the delocalization depends both on the energy loss and the specific electron excitation mode contributing to the energy loss. While the plasmons are delocalized over 1.2 nm, sub-nm enhancement is observed at the edge for the low-loss signal at 11 eV, indicating the possible formation of a one-dimensional plasmon (or inter-band transition) at the edge of monolayer graphene. Our results also suggest that if the initial states or final states are atomically localized, atomic resolution EELS imaging could be obtained even in the low loss region of the spectra. (C) 2011 Elsevier B.V. All rights reserved. C1 [Zhou, Wu; Pennycook, Stephen J.; Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhou, Wu; Pennycook, Stephen J.; Idrobo, Juan-Carlos] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RP Zhou, W (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. EM wu.zhou@vanderbilt.edu; idrobojc@ornl.gov RI Zhou, Wu/D-8526-2011; Idrobo, Juan/H-4896-2015 OI Zhou, Wu/0000-0002-6803-1095; Idrobo, Juan/0000-0001-7483-9034 FU U.S. National Science Foundation [DMR-0938330]; Oak Ridge National Laboratory's SHaRE User Facility; Office of Basic Energy Sciences, U.S. Department of Energy; Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy FX We thank M.P. Oxley for helpful discussions and comments. This research was supported by the U.S. National Science Foundation through grant no. DMR-0938330 (WZ); Oak Ridge National Laboratory's SHaRE User Facility (JCI), which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy; the Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy (SJP). NR 25 TC 15 Z9 15 U1 3 U2 38 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 AUG PY 2012 VL 119 SI SI BP 51 EP 56 DI 10.1016/j.ultramic.2011.11.013 PG 6 WC Microscopy SC Microscopy GA 996IU UT WOS:000308079200009 PM 22206602 ER PT J AU Wan, CS Vaughn, JM Sadowski, JT Kordesch, ME AF Wan, Congshang Vaughn, Joel M. Sadowski, Jerzy T. Kordesch, Martin E. TI Scandium oxide coated polycrystalline tungsten studied using emission microscopy and photoelectron spectroscopy SO ULTRAMICROSCOPY LA English DT Article DE Emission microscopy; Thermionic emission; Thermionic cathodes; Scandium oxide; Tungsten ID WORK FUNCTION; ELECTRON SOURCES; CATHODES AB Thermionic electron emission from 200 to 500 nm thick coatings of scandium oxide on tungsten foil have been examined in thermionic emission microscopy, spectroscopic photoelectron microcopy, synchrotron radiation and ultraviolet photoelectron spectroscopy (UPS). A clear dependence of the scandium oxide-W electron yield on the grain orientation of the polycrystalline tungsten is observed in thermionic emission and photoelectron emission. (C) 2011 Elsevier B.V. All rights reserved. C1 [Wan, Congshang; Vaughn, Joel M.; Sadowski, Jerzy T.; Kordesch, Martin E.] Ohio Univ, Athens, OH 45701 USA. [Wan, Congshang; Vaughn, Joel M.; Sadowski, Jerzy T.; Kordesch, Martin E.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Kordesch, ME (reprint author), Ohio Univ, Clippinger 251B, Athens, OH 45701 USA. EM kordesch@ohio.edu OI Sadowski, Jerzy/0000-0002-4365-7796 FU Nanohmics, Inc., through the Air Force Office of Scientific Research [FA9550-09-C-0085]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported by Nanohmics, Inc., through the Air Force Office of Scientific Research, contract No. FA9550-09-C-0085. 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, BNL, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 24 TC 2 Z9 2 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD AUG PY 2012 VL 119 SI SI BP 106 EP 110 DI 10.1016/j.ultramic.2011.10.001 PG 5 WC Microscopy SC Microscopy GA 996IU UT WOS:000308079200017 PM 22079380 ER PT J AU Thomas, KE Alemayehu, AB Conradie, J Beavers, CM Ghosh, A AF Thomas, Kolle E. Alemayehu, Abraham B. Conradie, Jeanet Beavers, Christine M. Ghosh, Abhik TI The Structural Chemistry of Metallocorroles: Combined X-ray Crystallography and Quantum Chemistry Studies Afford Unique Insights SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID 1ST DIRECT SYNTHESIS; PHOSPHORUS(V) OCTAETHYLPORPHYRINS; ELECTRONIC-STRUCTURE; COPPER CORROLES; COMPLEXES; ELECTROCHEMISTRY; NICKEL; RING; NONINNOCENT; DERIVATIVES AB Although they share some superficial structural similarities with porphyrins, corroles, trianionic ligands with contracted cores, give rise to fundamentally different transition metal complexes in comparison with the dianionic porphyrins. 09 Many metallocorroles are formally high-valent, although a good fraction of them are also noninnocent, with significant corrole radical character. These electronic-structural characteristics result in a variety of fascinating spectroscopic behavior, including highly characteristic, paramagnetically shifted NMR spectra and textbook cases of charge-transfer spectra. Although our early research on corroles focused on spectroscopy, we soon learned that the geometric structures of metallocorroles 00 provide a fascinating window into their electronic-structural characteristics. Thus, we used X-ray structure determinations and quantum chemical studies, chiefly using OFT, to obtain a comprehensive understanding of metallocorrole geometric and electronic structures. This Account describes our studies of the structural chemistry of metallocorroles. At first blush, the planar or mildly domed structure of metallocorroles might appear somewhat uninteresting particularly when compared to metalloporphyrins. Metalloporphyrins, especially sterically hindered ones, are routinely ruffled or saddled, but the missing meso carbon apparently makes the corrole skeleton much more resistant to nonplanar distortions. Ruffling, where the pyrrole rings are alternately twisted about the M-N bonds, is energetically impossible for metallocorroles. Saddling is also uncommon; thus, a number of sterically hindered, fully substituted metallocorroles exhibit almost perfectly planar macrocycle cores. Against this backdrop, copper corroles stand out as an important exception. As a result of an energetically favorable Cu(d(x2-y2)) corrole(pi) orbital interaction, copper corroles, even sterically unhindered ones, are inherently saddled. Sterically hindered substituents accentuate this effect, sometimes dramatically. Thus, a crystal structure of a copper beta-octakis-(trifluoromethyl)-meso-triarylcorrole complex exhibits nearly orthogonal, adjacent pyrrole rings. Intriguingly, the formally isoelectronic silver and gold corroles are much less saddled than their copper congeners because the high orbital energy of the valence d(x2-y2) orbital discourages overlap with the corrole pi orbital. A crystal structure of a gold beta-octakis(trifluoromethyl)-meso-triarylcorrole complex exhibits a perfectly planar corrole core, which translates to a difference of 85 degrees in the saddling dihedral angles between analogous copper and gold complexes. Gratifyingly, electrochemical, spectroscopic and quantum chemical studies provide a coherent, theoretical underpinning for these fascinating structural phenomena. With the development of facile one-pot syntheses of corrole macrocycles in the last 10-15 years, corroles are now almost as readily accessible as porphyrins. Like porphyrins, corroles are promising building blocks for supramolecular constructs such as liquid crystals and metal-organic frameworks. However, because of their symmetry properties, corrole-based supramolecular constructs will probably differ substantially from porphyrin-based ones. We are particularly interested in exploiting the inherently saddled, chiral architectures of copper corroles to create novel oriented materials such as chiral liquid crystals. We trust that the fundamental structural principles uncovered in this Account will prove useful as we explore these fascinating avenues. C1 [Thomas, Kolle E.; Alemayehu, Abraham B.; Conradie, Jeanet; Ghosh, Abhik] Univ Tromso, Dept Chem, N-9037 Tromso, Norway. [Thomas, Kolle E.; Alemayehu, Abraham B.; Conradie, Jeanet; Ghosh, Abhik] Univ Tromso, Ctr Theoret & Expt Chem, N-9037 Tromso, Norway. [Conradie, Jeanet] Univ Orange Free State, Dept Chem, ZA-9300 Bloemfontein, South Africa. [Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Ghosh, A (reprint author), Univ Tromso, Dept Chem, N-9037 Tromso, Norway. EM abhik@chem.uit.no RI Beavers, Christine/C-3539-2009; Ghosh, Abhik/G-8164-2016; OI Beavers, Christine/0000-0001-8653-5513; Ghosh, Abhik/0000-0003-1161-6364; Alemayehu, Abraham/0000-0003-0166-8937 FU Research Council of Norway; National Research Fund of the Republic of South Africa FX This work was supported largely by the Research Council of Norway. J.C. acknowledges the National Research Fund of the Republic of South Africa, while C.M.B. acknowledges the Advanced Light Source at Lawrence Berkeley National Laboratory. Other collaborators who have contributed to our research on metallocorroles include, among others, Dr. Ingar H. Wasbotten, Dr. Erik Steene, Dr. Emmanuel Gonzalez, Dr. Adam Chamberlin, Dr. Bruno Cardey, Prof. Lars-Kristian Hansen, Can Capar, Hans-Kristian Norheim, Simon Larsen, and Steffen Berg. NR 43 TC 75 Z9 75 U1 9 U2 95 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 EI 1520-4898 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD AUG PY 2012 VL 45 IS 8 BP 1203 EP 1214 DI 10.1021/ar200292d PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 991JE UT WOS:000307696500004 PM 22444488 ER PT J AU Long, TM Su, YK Headman, J Higbee, A Willis, LB Jeffries, TW AF Long, Tanya M. Su, Yi-Kai Headman, Jennifer Higbee, Alan Willis, Laura B. Jeffries, Thomas W. TI Cofermentation of Glucose, Xylose, and Cellobiose by the Beetle-Associated Yeast Spathaspora passalidarum SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID RECOMBINANT SACCHAROMYCES-CEREVISIAE; INCREASES ETHANOL-PRODUCTION; STIPITIS NRRL Y-7124; PICHIA-STIPITIS; CANDIDA-INTERMEDIA; SP NOV.; FERMENTATION; REDUCTASE; EXPRESSION; CHROMATOGRAPHY AB Fermentation of cellulosic and hemicellulosic sugars from biomass could resolve food-versus-fuel conflicts inherent in the bioconversion of grains. However, the inability to coferment glucose and xylose is a major challenge to the economical use of lignocellulose as a feedstock. Simultaneous cofermentation of glucose, xylose, and cellobiose is problematic for most microbes because glucose represses utilization of the other saccharides. Surprisingly, the ascomycetous, beetle-associated yeast Spathaspora passalidarum, which ferments xylose and cellobiose natively, can also coferment these two sugars in the presence of 30 g/liter glucose. S. passalidarum simultaneously assimilates glucose and xylose aerobically, it simultaneously coferments glucose, cellobiose, and xylose with an ethanol yield of 0.42 g/g, and it has a specific ethanol production rate on xylose more than 3 times that of the corresponding rate on glucose. Moreover, an adapted strain of S. passalidarum produced 39 g/liter ethanol with a yield of 0.37 g/g sugars from a hardwood hydrolysate. Metabolome analysis of S. passalidarum before onset and during the fermentations of glucose and xylose showed that the flux of glycolytic intermediates is significantly higher on xylose than on glucose. The high affinity of its xylose reductase activities for NADH and xylose combined with allosteric activation of glycolysis probably accounts in part for its unusual capacities. These features make S. passalidarum very attractive for studying regulatory mechanisms enabling bioconversion of lignocellulosic materials by yeasts. C1 [Long, Tanya M.; Su, Yi-Kai; Headman, Jennifer; Higbee, Alan; Willis, Laura B.; Jeffries, Thomas W.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Su, Yi-Kai] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI USA. [Headman, Jennifer; Willis, Laura B.; Jeffries, Thomas W.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Willis, Laura B.; Jeffries, Thomas W.] USDA, Forest Prod Lab, Madison, WI 53705 USA. RP Jeffries, TW (reprint author), Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. EM twjeffri@wisc.edu RI Jeffries, Thomas/I-8576-2012 OI Jeffries, Thomas/0000-0001-7408-4065 FU DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; Heart of Wisconsin (Wisconsin Rapids); USDA, Forest Products Laboratory FX This work was funded in part by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494) and by a grant from the Heart of Wisconsin (Wisconsin Rapids) to the University of Wisconsin, Madison. T.W.J. is supported by the USDA, Forest Products Laboratory. NR 47 TC 29 Z9 30 U1 4 U2 40 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2012 VL 78 IS 16 BP 5492 EP 5500 DI 10.1128/AEM.00374-12 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 983SR UT WOS:000307139500003 PM 22636012 ER PT J AU Shelobolina, E Xu, HF Konishi, H Kukkadapu, R Wu, T Blothe, M Roden, E AF Shelobolina, Evgenya Xu, Huifang Konishi, Hiromi Kukkadapu, Ravi Wu, Tao Bloethe, Marco Roden, Eric TI Microbial Lithotrophic Oxidation of Structural Fe(II) in Biotite SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID FERROUS IRON; MOSSBAUER-SPECTROSCOPY; MINERALS; BACTERIA; ROCKS; RHIZOSPHERE; SEDIMENTS; KINETICS; WATER; LIFE AB Microorganisms are known to participate in the weathering of primary phyllosilicate minerals through the production of organic ligands and acids and through the uptake of products of weathering. Here we show that the lithotrophic Fe(II)-oxidizing, nitrate-reducing enrichment culture described by Straub et al. (K.L. Straub, M. Benz, B. Schink, and F. Widdel, Appl. Environ. Microbiol. 62:1458-1460, 1996) can grow via oxidation of structural Fe(II) in biotite, a Fe(II)-rich trioctahedral mica found in granitic rocks. Oxidation of silt/clay-sized biotite particles was detected by a decrease in extractable Fe(II) content and simultaneous nitrate reduction. Mossbauer spectroscopy confirmed structural Fe(II) oxidation. Approximately 1.5 x 10(7) cells were produced per mu mol of Fe(II) oxidized, in agreement with previous estimates of the growth yield of lithoautotrophic circumneutral-pH Fe(II)-oxidizing bacteria. Microbial oxidation of structural Fe(II) resulted in biotite alterations similar to those found in nature, including a decrease in the unit cell b dimension toward dioctahedral levels and Fe and K release. Structural Fe(II) oxidation may involve either direct enzymatic oxidation, followed by solid-state mineral transformation, or indirect oxidation as a result of the formation of aqueous Fe, followed by electron transfer from Fe(II) in the mineral to Fe(III) in solution. Although it is not possible to distinguish between these two mechanisms with available data, the complete absence of aqueous Fe in oxidation experiments favors the former alternative. The demonstration of microbial oxidation of structural Fe(II) suggests that microorganisms are directly responsible for the initial step in the weathering of biotite in granitic aquifers and the plant rhizosphere. C1 [Shelobolina, Evgenya; Xu, Huifang; Konishi, Hiromi; Wu, Tao; Bloethe, Marco; Roden, Eric] Univ Wisconsin, Dept Geosci, Madison, WI 53706 USA. [Xu, Huifang; Konishi, Hiromi; Roden, Eric] Univ Wisconsin, NASA Astrobiol Inst, Madison, WI USA. [Kukkadapu, Ravi] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shelobolina, E (reprint author), Univ Wisconsin, Dept Geosci, Madison, WI 53706 USA. EM shelobolina@wisc.edu FU U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), Subsurface Biogeochemical Research (SBR) Program [ER64172-1027487-001191]; SBR Scientific Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL); DOE-BER and located at PNNL, Richland, WA. FX This research was supported by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), Subsurface Biogeochemical Research (SBR) Program through grant ER64172-1027487-001191 and the SBR Scientific Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL). Mossbauer spectroscopy measurements were performed at the William Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE-BER and located at PNNL, Richland, WA. NR 37 TC 22 Z9 22 U1 3 U2 59 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 AUG PY 2012 VL 78 IS 16 BP 5746 EP 5752 DI 10.1128/AEM.01034-12 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 983SR UT WOS:000307139500033 PM 22685132 ER PT J AU La Duc, MT Vaishampayan, P Nilsson, HR Torok, T Venkateswaran, K AF La Duc, Myron T. Vaishampayan, Parag Nilsson, Henrik R. Torok, Tamas Venkateswaran, Kasthuri TI Pyrosequencing-Derived Bacterial, Archaeal, and Fungal Diversity of Spacecraft Hardware Destined for Mars SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID MICROBIAL DIVERSITY; CLEAN ROOMS; HOSPITAL ENVIRONMENTS; RARE BIOSPHERE; DEEP-SEA; SURVIVAL; RADIATION; IDENTIFICATION; DATABASE; SPORES AB Spacecraft hardware and assembly cleanroom surfaces (233 m(2) in total) were sampled, total genomic DNA was extracted, hypervariable regions of the 16S rRNA gene (bacteria and archaea) and ribosomal internal transcribed spacer (ITS) region (fungi) were subjected to 454 tag-encoded pyrosequencing PCR amplification, and 203,852 resulting high-quality sequences were analyzed. Bioinformatic analyses revealed correlations between operational taxonomic unit (OTU) abundance and certain sample characteristics, such as source (cleanroom floor, ground support equipment [GSE], or spacecraft hardware), cleaning regimen applied, and location about the facility or spacecraft. National Aeronautics and Space Administration (NASA) cleanroom floor and GSE surfaces gave rise to a larger number of diverse bacterial communities (619 OTU; 20 m(2)) than colocated spacecraft hardware (187 OTU; 162 m(2)). In contrast to the results of bacterial pyrosequencing, where at least some sequences were generated from each of the 31 sample sets examined, only 13 and 18 of these sample sets gave rise to archaeal and fungal sequences, respectively. As was the case for bacteria, the abundance of fungal OTU in the GSE surface samples dramatically diminished (9 x less) once cleaning protocols had been applied. The presence of OTU representative of actinobacteria, deinococci, acidobacteria, firmicutes, and proteobacteria on spacecraft surfaces suggests that certain bacterial lineages persist even following rigorous quality control and cleaning practices. The majority of bacterial OTU observed as being recurrent belonged to actinobacteria and alphaproteobacteria, supporting the hypothesis that the measures of cleanliness exerted in spacecraft assembly cleanrooms (SAC) inadvertently select for the organisms which are the most fit to survive long journeys in space. C1 [La Duc, Myron T.; Vaishampayan, Parag; Venkateswaran, Kasthuri] CALTECH, Jet Prop Lab, Biotechnol & Planetary Protect Grp, Pasadena, CA 91125 USA. [Nilsson, Henrik R.] Univ Gothenburg, Dept Biol & Environm Sci, Gothenburg, Sweden. [Torok, Tamas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP La Duc, MT (reprint author), CALTECH, Jet Prop Lab, Biotechnol & Planetary Protect Grp, Pasadena, CA 91125 USA. EM mtladuc@jpl.nasa.gov OI Nilsson, Henrik/0000-0002-8052-0107 NR 62 TC 28 Z9 28 U1 1 U2 38 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2012 VL 78 IS 16 BP 5912 EP 5922 DI 10.1128/AEM.01435-12 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 983SR UT WOS:000307139500054 PM 22729532 ER PT J AU Kliewer, CJ Bohlin, A Nordstrom, E Patterson, BD Bengtsson, PE Settersten, TB AF Kliewer, C. J. Bohlin, A. Nordstrom, E. Patterson, B. D. Bengtsson, P. -E. Settersten, T. B. TI Time-domain measurements of S-branch N-2-N-2 Raman linewidths using picosecond pure rotational coherent anti-Stokes Raman spectroscopy SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID N-2 THERMOMETRY; SCATTERING; NITROGEN; FLAMES; TEMPERATURE; LAWS AB Time-resolved dual-broadband picosecond pure rotational CARS has been applied to measure self-broadened S-branch N-2-N-2 Raman linewidths in the temperature range 294-1466 K. The coherence decays were detected directly in the time domain by following the J-dependent CARS signal decay as a function of probe delay. The rotational Raman N-2-N-2 linewidths were derived from these time-dependent decays and evaluated for thermometric accuracy. Comparisons were made to the energy-corrected sudden (ECS) and modified exponential gap (MEG) dynamical scaling laws, and the results were used to quantify the sensitivity of nanosecond rotational CARS thermometry to the linewidth model employed. The uncertainty based on the linewidth model used in pure N-2 was found to be 2 %. The merits and limitations of this rapid method for the determination of accurate Raman linewidths are discussed. C1 [Kliewer, C. J.; Patterson, B. D.; Settersten, T. B.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Bohlin, A.; Nordstrom, E.; Bengtsson, P. -E.] Lund Univ, Div Combust Phys, S-22100 Lund, Sweden. RP Kliewer, CJ (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9055, Livermore, CA 94551 USA. EM cjkliew@sandia.gov; alexis.bohlin@forbrf.lth.se; emil.nordstrom@forbrf.lth.se; bpatter@sandia.gov; per-erik.bengtsson@forbrf.lth.se; tbsette@sandia.gov RI Kliewer, Christopher/E-4070-2010; Settersten, Thomas/B-3480-2009; Bohlin, Alexis/L-8973-2015 OI Kliewer, Christopher/0000-0002-2661-1753; Settersten, Thomas/0000-0002-8017-0258; Bohlin, Alexis/0000-0003-4383-8332 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Swedish Energy Agency; Centre of Combustion Science and Technology (CECOST) FX Funding provided by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. PEB, AB, and EN acknowledge the financial support of the Swedish Energy Agency and the Centre of Combustion Science and Technology (CECOST). NR 22 TC 17 Z9 18 U1 2 U2 16 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD AUG PY 2012 VL 108 IS 2 BP 419 EP 426 DI 10.1007/s00340-012-5037-2 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA 993TU UT WOS:000307883300022 ER PT J AU Fausto, RS Mernild, SH Hasholt, B Ahlstrom, AP Knudsen, NT AF Fausto, Robert S. Mernild, Sebastian H. Hasholt, Bent Ahlstrom, Andreas P. Knudsen, Niels T. TI Modeling Suspended Sediment Concentration and Transport, Mittivakkat Glacier, Southeast Greenland SO ARCTIC ANTARCTIC AND ALPINE RESEARCH LA English DT Article ID ICE-SHEET; AMMASSALIK ISLAND; SE GREENLAND; SUBGLACIAL DRAINAGE; WEST GREENLAND; WATER-FLOW; SNOW; RUNOFF; EVOLUTION; EROSION AB Suspended sediment concentration and transport is modeled for the Mittivakkat Glacier located on Ammassalik Island, South-East Greenland, using a numerical sediment model based on lumped-elements. Empirical equations calculate sediment erosion and deposition within a constant idealized glacier drainage system. The sediment model is forced by observations and an energy balance model based on meteorological observations that provide a simulated Surface Melt and liquid Precipitation available for supra-, en-, sub-, and proglacial flow processes after vertical percolation and potential storage within the snowpack (henceforth SMP) from the glacier surface which is available for subglacial erosion, glaciofluvial transport, and deposition within the drainage system. The idealized drainage system is constrained following the descriptions and conclusions from previous work. A model simulation run for summer 2005 shows that the cumulative modeled suspended sediment transport lies within 3% when compared with observations. Model results show that the temporal changes in the calculated suspended sediment concentrations vary over the melt season in some agreement with measured field data for the summer of 2005. Forcing the sediment model gives a correlation coefficient of 0.89 using observed proglacial meltwater discharge values and the correlation coefficient is 0.63 using modeled supraglacial meltwater runoff. The sediment model successfully captures the observed concentration and transport of suspended sediment which indicates a sufficient sediment reservoir available for transport through the idealized drainage system. C1 [Fausto, Robert S.; Ahlstrom, Andreas P.] Geol Survey Denmark & Greenland GEUS, DK-1350 Copenhagen, Denmark. [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA. [Hasholt, Bent] Univ Copenhagen, Dept Geog & Geol, DK-1350 Copenhagen, Denmark. [Knudsen, Niels T.] Aarhus Univ, Inst Geol, DK-8000 Aarhus, Denmark. RP Fausto, RS (reprint author), Geol Survey Denmark & Greenland GEUS, Oster Voldgade 10, DK-1350 Copenhagen, Denmark. EM rsf@geus.dk RI Knudsen, Niels Tvis/A-2461-2014; Ahlstrom, Andreas Peter/E-5257-2014 OI Ahlstrom, Andreas Peter/0000-0001-8235-8070 NR 41 TC 3 Z9 3 U1 2 U2 19 PU INST ARCTIC ALPINE RES PI BOULDER PA UNIV COLORADO, BOULDER, CO 80309 USA SN 1523-0430 EI 1938-4246 J9 ARCT ANTARCT ALP RES JI Arct. Antarct. Alp. Res. PD AUG PY 2012 VL 44 IS 3 BP 306 EP 318 DI 10.1657/1938-4246-44.3.306 PG 13 WC Environmental Sciences; Geography, Physical SC Environmental Sciences & Ecology; Physical Geography GA 995EN UT WOS:000307990800005 ER PT J AU Harley, SJ Mason, HE McAlpin, JG Britt, RD Casey, WH AF Harley, Stephen J. Mason, Harris E. McAlpin, J. Gregory Britt, R. David Casey, William H. TI A 31P NMR Investigation of the CoPi Water-Oxidation Catalyst SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE cobalt; contact shift; NMR spectroscopy; oxidation; paramagnetic broadening; water chemistry ID SOLID-STATE NMR; P-31 NMR; CALCIUM PHOSPHATES; RELAXATION; SPECTROSCOPY; VANADIUM; SHIFTS; IONS; PH C1 [Harley, Stephen J.; Mason, Harris E.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [McAlpin, J. Gregory; Britt, R. David; Casey, William H.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Harley, SJ (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. EM harley2@llnl.gov RI Mason, Harris/F-7194-2011 OI Mason, Harris/0000-0002-1840-0550 FU NSF [EAR0814242, CHE-0939178, CHE-1213699]; US Department of Energy Office of Basic Energy Science [DE-FG03-02ER15693]; U.S. Department of Energy by Lawrence Livermore National Laboratory [W-7405-Eng-48, DE-AC52-07 A27344, LLNL-JRNL-539272] FX This research was supported by NSF grant EAR0814242 and by the US Department of Energy Office of Basic Energy Science under grant DE-FG03-02ER15693 (to W. H. C) and NSF grant CHE-0939178 and CHE-1213699 to R. D. B. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract W-7405-Eng-48 and Contracts DE-AC52-07 A27344, LLNL-JRNL-539272. NR 21 TC 8 Z9 8 U1 4 U2 33 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PD AUG PY 2012 VL 18 IS 34 BP 10476 EP 10479 DI 10.1002/chem.201201292 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 986ZX UT WOS:000307387300001 PM 22806772 ER PT J AU Gandara, F Uribe-Romo, FJ Britt, DK Furukawa, H Lei, L Cheng, R Duan, XF O'Keeffe, M Yaghi, OM AF Gandara, Felipe Uribe-Romo, Fernando J. Britt, David K. Furukawa, Hiroyasu Lei, Liao Cheng, Rui Duan, Xiangfeng O'Keeffe, Michael Yaghi, Omar M. TI Porous, Conductive Metal-Triazolates and Their Structural Elucidation by the Charge-Flipping Method SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE charge flipping; electrical conductivity; metal-organic frameworks; porous materials; X-ray diffraction ID ORGANIC FRAMEWORKS; CRYSTAL-STRUCTURES; THERMAL-STABILITY; HYDROGEN STORAGE; SURFACE-AREA; COMPLEXES; RUTHENIUM; CHEMISTRY; CATALYSTS; ZEOLITE AB A new family of porous crystals was prepared by combining 1H-1,2,3-triazole and divalent metal ions (Mg, Mn, Fe, Co, Cu, and Zn) to give six isostructural metal-triazolates (termed MET-1 to 6). These materials are prepared as microcrystalline powders, which give intense X-ray diffraction lines. Without previous knowledge of the expected structure, it was possible to apply the newly developed charge-flipping method to solve the complex crystal structure of METs: all the metal ions are octahedrally coordinated to the nitrogen atoms of triazolate such that five metal centers are joined through bridging triazolate ions to form super-tetrahedral units that lie at the vertexes of a diamond-type structure. The variation in the size of metal ions across the series provides for precise control of pore apertures to a fraction of an Angstrom in the range 4.5 to 6.1 angstrom. MET frameworks have permanent porosity and display surface areas as high as some of the most porous zeolites, with one member of this family, MET-3, exhibiting significant electrical conductivity. C1 [Gandara, Felipe; Uribe-Romo, Fernando J.; Britt, David K.; Furukawa, Hiroyasu; O'Keeffe, Michael; Yaghi, Omar M.] Univ Calif Los Angeles, Ctr Reticular Chem, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Cheng, Rui] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Yaghi, Omar M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yaghi, Omar M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Div Mat Sci, Berkeley, CA 94720 USA. RP Yaghi, OM (reprint author), Univ Calif Los Angeles, Ctr Reticular Chem, Dept Chem & Biochem, Los Angeles, CA 90095 USA. EM yaghi@berkeley.edu RI Britt, David/D-4675-2009; Gandara, Felipe/B-9198-2013; Furukawa, Hiroyasu/C-5910-2008; OI Gandara, Felipe/0000-0002-1671-6260; Furukawa, Hiroyasu/0000-0002-6082-1738; Yaghi, Omar/0000-0002-5611-3325; Uribe-Romo, Fernando/0000-0003-0212-0295 FU U.S. Department of Energy [DE-FG02-08ER15935]; BASF SE (Ludwigshafen, Germany); Spain Ministry of Education; WCU (EEWS), Korea FX This work was sponsored by the U.S. Department of Energy (DE-FG02-08ER15935) and BASF SE (Ludwigshafen, Germany). We thank Prof. K. Barry Sharpless and Prof. Jason Hein for donation of raw materials. F.G. acknowledges funding by the Spain Ministry of Education through the "Programa de Movilidad de Recursos Humanos del Plan Nacional de I-D+i 2008-2011". O.M.Y. acknowledges support of WCU (EEWS), Korea. NR 41 TC 66 Z9 66 U1 5 U2 110 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PD AUG PY 2012 VL 18 IS 34 BP 10595 EP 10601 DI 10.1002/chem.201103433 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 986ZX UT WOS:000307387300018 PM 22730149 ER PT J AU Xu, ZJ AF Xu Zhi-Jie TI Homogenization for Periodic Heterogeneous Materials with Arbitrary Position-Dependent Material Properties SO COMMUNICATIONS IN THEORETICAL PHYSICS LA English DT Article DE diffusion; conduction; wave; homogenization; multi-scale; upscaling; dispersive ID EFFECTIVE MACROSCOPIC DESCRIPTION; ELASTIC-WAVE PROPAGATION; FINITE-DIFFERENCE METHOD; HEAT-CONDUCTION; POROUS-MEDIA; VELOCITY-STRESS; DIFFUSION AB We present a rigorous homogenization approach for efficient computation of a class of physical problems in a one-dimensional periodic heterogeneous material. This material is represented by a spatially periodic array of unit cells with a length of epsilon. More specifically, the method is applied to the diffusion, heat conduction, and wave propagation problems. Heterogeneous materials can have arbitrary position-dependent continuous or discontinuous materials properties (for example heat conductivity) within the unit cell. The final effective model includes both effective properties at the leading order and high-order contributions due to the microscopic heterogeneity. A dimensionless heterogeneity parameter beta is defined to represent high-order contributions, shown to be in the range of [-1/12, 0], and has a universal expression for all three problems. Both effective properties and heterogeneity parameter beta are independent of epsilon, the microscopic scale of heterogeneity. The homogenized solution describing macroscopic variations can be obtained from the effective model. Solution with sub-unit-cell accuracy can be constructed based on the homogenized solution and its spatial derivatives. The paper represents a general approach to obtain the effective model for arbitrary periodic heterogeneous materials with position-dependent properties. C1 [Xu Zhi-Jie] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Xu, ZJ (reprint author), Pacific NW Natl Lab, Computat Math Grp, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM zhijie.xu@pnnl.gov RI Xu, Zhijie/A-1627-2009 OI Xu, Zhijie/0000-0003-0459-4531 NR 23 TC 3 Z9 3 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0253-6102 J9 COMMUN THEOR PHYS JI Commun. Theor. Phys. PD AUG PY 2012 VL 58 IS 2 BP 189 EP 194 DI 10.1088/0253-6102/58/2/03 PG 6 WC Physics, Multidisciplinary SC Physics GA 989TN UT WOS:000307583500003 ER PT J AU Mitri, FG AF Mitri, Farid G. TI Generalized Theory of Resonance Excitation by Sound Scattering from an Elastic Spherical Shell in a Nonviscous Fluid SO IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL LA English DT Article ID ACOUSTIC RADIATION FORCE; ORDER BESSEL BEAM; PLANE-PROGRESSIVE WAVES; SONAR CROSS-SECTIONS; RIGID SPHERE; ULTRASOUND; REFLECTION; TRANSIENT; OBJECTS AB This work presents the general theory of resonance scattering (GTRS) by an elastic spherical shell immersed in a nonviscous fluid and placed arbitrarily in an acoustic beam. The GTRS formulation is valid for a spherical shell of any size and material regardless of its location relative to the incident beam. It is shown here that the scattering coefficients derived for a spherical shell immersed in water and placed in an arbitrary beam equal those obtained for plane wave incidence. Numerical examples for an elastic shell placed in the field of acoustical Bessel beams of different types, namely, a zero-order Bessel beam and first-order Bessel vortex and trigonometric (nonvortex) beams are provided. The scattered pressure is expressed using a generalized partial-wave series expansion involving the beam-shape coefficients (BSCs), the scattering coefficients of the spherical shell, and the half-cone angle of the beam. The BSCs are evaluated using the numerical discrete spherical harmonics transform (DSHT). The far-field acoustic resonance scattering directivity diagrams are calculated for an albuminoidal shell immersed in water and filled with perfluoropropane gas, by subtracting an appropriate background from the total far-field form function. The properties related to the arbitrary scattering are analyzed and discussed. The results are of particular importance in acoustical scattering applications involving imaging and beam-forming for transducer design. Moreover, the GTRS method can be applied to investigate the scattering of any beam of arbitrary shape that satisfies the source-free Helmholtz equation, and the method can be readily adapted to viscoelastic spherical shells or spheres. C1 Los Alamos Natl Lab, Acoust & Sensors Technol Team, Los Alamos, NM USA. RP Mitri, FG (reprint author), Los Alamos Natl Lab, Acoust & Sensors Technol Team, MPA 11, Los Alamos, NM USA. EM mitri@lanl.gov FU Los Alamos National Laboratory [LDRD-X9N9, 20100595PRD1] FX Manuscript received March 21, 2012; accepted May 15, 2012. Dr. Mitri acknowledges the financial support provided through a Director's fellowship (LDRD-X9N9, Project # 20100595PRD1) from Los Alamos National Laboratory. Disclosure: this unclassified publication, with the following reference no. LA-UR 12-22133, has been approved for unlimited public release under DUSA ENSCI. NR 60 TC 26 Z9 26 U1 5 U2 25 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-3010 J9 IEEE T ULTRASON FERR JI IEEE Trans. Ultrason. Ferroelectr. Freq. Control PD AUG PY 2012 VL 59 IS 8 BP 1781 EP 1790 DI 10.1109/TUFFC.2012.2382 PG 10 WC Acoustics; Engineering, Electrical & Electronic SC Acoustics; Engineering GA 993CH UT WOS:000307831900017 PM 22899124 ER PT J AU He, QG Mugadza, T Hwang, G Nyokong, T AF He, Qinggang Mugadza, Tawanda Hwang, GiSuk Nyokong, Tebello TI Mechanisms of Electrocatalysis of Oxygen Reduction by Metal Porphyrins in Trifluoromethane Sulfonic Acid Solution SO INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE LA English DT Article DE non-noble metal catalysis; porphyrin; oxygen reduction reaction; outer-sphere; inner-sphere electron transfer ID HOMOGENEOUS REDOX CATALYSIS; DETERMINING ELECTRON-TRANSFER; SOLUBLE MANGANESE PORPHYRINS; ORGANIC DIHALIDE REDUCTIONS; ELECTROCHEMICAL REACTIONS; FUEL-CELLS; MACROCYCLIC LIGANDS; O-2 ELECTROREDUCTION; 4-ELECTRON REDUCTION; POLYMER ELECTRODES AB This study examines the oxygen reduction reaction (ORR) in a homogeneous catalyst system, comparing between the outer-sphere and inner-sphere electron-transfer mechanisms. The rate constants are measured using aqueous trifluoromethane sulfonic acid (TFMSA) and water-soluble M* meso-tetra (pyridyl) porphine chloride complexes [M* TMPyP, M* = Fe(III), Co(III), Mn(III) and Cu(II)] at given pH and molar ratio of metal complexes to oxygen. An outer-sphere model consistent with Marcus theory explains that an outer-sphere electron transfer mechanism occurs in the activation-control region. However, higher rate constants than predicted suggests that a possible reaction pathway is a quasi-redox mechanism associated with the formation of an intermediate bond between M*TMPyP [M* = Fe(II), Co(II), Mn(II) and Cu(I)] with O-2 followed by proton-activated decomposition. An increase in the catalyst turnover frequency was also observed upon addition of imidazole base, indicating the role of protonation is crucial to the ORR mechanism. The results are encouraging for replacement of platinum with non-noble metal-polymer complex systems for oxygen reduction in that the reorganization barrier for reaction pathway significantly decreases. The positive effect of proton activation on the catalytic activity of the homogeneous redox catalysts is of considerable interest for future studies. In a three-dimensional, molecular catalysis model, the predicted results using the measured reaction rate suggest that the non-noble metal catalysts can be used for practical electrochemical cell designs. C1 [He, Qinggang; Hwang, GiSuk] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Mugadza, Tawanda; Nyokong, Tebello] Rhodes Univ, Dept Chem, ZA-6140 Grahamstown, South Africa. RP He, QG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM QinggangHe@lbl.gov; t.nyokong@ru.ac.za RI He, Qinggang/O-7639-2014; OI He, Qinggang/0000-0002-7693-8017; Nyokong, Tebello/0000-0002-4590-9926 FU Department of Science and Technology (DST) of South Africa through DST/NRF South African Research Chairs Initiative; National Research Foundation (NRF) of South Africa through DST/NRF South African Research Chairs Initiative; Assistant Secretary for Energy Efficiency and Renewable Energy, Office Fuel Cell Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Department of Science and Technology (DST) and National Research Foundation (NRF) of South Africa through DST/NRF South African Research Chairs Initiative and by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office Fuel Cell Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 61 TC 15 Z9 15 U1 7 U2 46 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 AUG PY 2012 VL 7 IS 8 BP 7045 EP 7064 PG 20 WC Electrochemistry SC Electrochemistry GA 995BG UT WOS:000307980800037 ER PT J AU Prikhodko, VY Pihl, JA Lewis, SA Parks, JE AF Prikhodko, Vitaly Y. Pihl, Josh A. Lewis, Samuel A. Parks, James E. TI Effect of Hydrocarbon Emissions From PCCI-Type Combustion on the Performance of Selective Catalytic Reduction Catalysts SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article AB Core samples cut from full size commercial Fe- and Cu-zeolite selective catalytic reduction catalysts were exposed to a slipstream of raw engine exhaust from a 1.9-liter 4-cylinder diesel engine operating in conventional and premixed charge compression ignition (PCCI) combustion modes. Subsequently, the NOx reduction performance of the exposed catalysts was evaluated on a laboratory bench-reactor fed with simulated exhaust. The Fe-zeolite NOx conversion efficiency was significantly degraded, especially at low temperatures (<250 degrees C), after the catalyst was exposed to the engine exhaust. The degradation of the Fe-zeolite performance was similar for both combustion modes. The Cu-zeolite was much more resistant to hydrocarbon (HC) fouling than the Fe-zeolite catalyst. In the case of the Cu-zeolite, PCCI exhaust had a more significant impact than the exhaust from conventional combustion on the NOx conversion efficiency. For all cases, the clean catalyst performance was recovered after heating to 600 degrees C. Gas chromatography mass spectrometry analysis of the HCs adsorbed to the catalyst surface provided insights into the observed NOx reduction performance trends. [DOI: 10.1115/1.4006003] C1 [Prikhodko, Vitaly Y.; Pihl, Josh A.; Lewis, Samuel A.; Parks, James E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Prikhodko, VY (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM prikhodkovy@ornl.gov FU U.S. Department of Energy; UT-Battelle, LLC [DE-AC05-00OR22725] FX The authors thank the U.S. Department of Energy and program managers Gurpreet Singh and Ken Howden for funding this work. This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a 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. NR 8 TC 1 Z9 1 U1 0 U2 6 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD AUG PY 2012 VL 134 IS 8 AR 082804 DI 10.1115/1.4006003 PG 5 WC Engineering, Mechanical SC Engineering GA 978QR UT WOS:000306760800016 ER PT J AU Vick, MJ Jadaan, OM Wereszczak, AA Choi, SR Heyes, AL Pullen, KR AF Vick, Michael J. Jadaan, Osama M. Wereszczak, Andrew A. Choi, Sung R. Heyes, Andrew L. Pullen, Keith R. TI Engine Design Strategies to Maximize Ceramic Turbine Life and Reliability SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article ID WATER-VAPOR; PARALINEAR OXIDATION; SILICON-NITRIDE; GAS-TURBINES; 21ST-CENTURY; CORROSION AB Ceramic turbines have long promised to enable higher fuel efficiencies by accommodating higher temperatures without cooling, yet no engines with ceramic rotors are in production today. Studies cite life, reliability, and cost obstacles, often concluding that further improvements in the materials are required. In this paper, we assume instead that the problems could be circumvented by adjusting the engine design. Detailed analyses are conducted for two key life-limiting processes, water vapor erosion and slow crack growth, seeking engine design strategies for mitigating their effects. We show that highly recuperated engines generate extremely low levels of water vapor erosion, enabling lives exceeding 10,000 hs, without environmental barrier coatings. Recuperated engines are highly efficient at low pressure ratios, making low blade speeds practical. Many ceramic demonstration engines have had design point mean blade speeds near 550 m/s. A CARES/Life analysis of an example rotor designed for about half this value indicates vast improvements in slow crack growth-limited life and reliability. Halving the blade speed also reduces foreign object damage particle kinetic energy by a factor of four. In applications requiring very high fuel efficiency that can accept a recuperator, or in short-life simple cycle engines, ceramic turbines are ready for application today. [DOI: 10.1115/1.4005817] C1 [Vick, Michael J.] USN, Res Lab, Vehicle Res Sect, Washington, DC 20375 USA. [Wereszczak, Andrew A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Choi, Sung R.] USN, Air Syst Command, Patuxent River, MD 20670 USA. [Heyes, Andrew L.] Univ London Imperial Coll Sci Technol & Med, Dept Mech Engn, London SW7 2AZ, England. [Pullen, Keith R.] City Univ London, Dept Mech Engn, London EC1V 0HB, England. RP Vick, MJ (reprint author), USN, Res Lab, Vehicle Res Sect, Code 5712, Washington, DC 20375 USA. EM michael.vick@nrl.navy.mil; jadaan@uwplatt.edu; wereszczakaa@ornl.gov; Sung.choi1@navy.mil; a.heyes@imperial.ac.uk; k.pullen@city.ac.uk RI Wereszczak, Andrew/I-7310-2016 OI Wereszczak, Andrew/0000-0002-8344-092X FU Naval Research Lab 6.2 Base program FX Support for this work was provided by the Naval Research Lab 6.2 Base program, and is gratefully acknowledged. NR 43 TC 0 Z9 0 U1 0 U2 16 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD AUG PY 2012 VL 134 IS 8 AR 081301 DI 10.1115/1.4005817 PG 11 WC Engineering, Mechanical SC Engineering GA 978QR UT WOS:000306760800003 ER PT J AU Devanathan, R Idupulapati, N Dupuis, M AF Devanathan, Ram Idupulapati, Nagesh Dupuis, Michel TI Molecular modeling of the morphology and transport properties of two direct methanol fuel cell membranes: Phenylated sulfonated poly(ether ether ketone ketone) versus Nafion SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID POLYMER ELECTROLYTE MEMBRANES; PROTON-EXCHANGE MEMBRANES; PERFLUOROSULFONIC ACID MEMBRANES; DYNAMICS SIMULATIONS; ATOMISTIC SIMULATIONS; PERFLUORINATED IONOMER; NANOPHASE-SEGREGATION; HYDRATED NAFION; FORCE-FIELD; WATER AB We have used molecular dynamics simulations to examine membrane morphology and the transport of water, methanol, and hydronium in phenylated sulfonated poly(ether ether ketone ketone) (Ph-SPEEKK) and Nafion membranes at 360 K for a range of hydration levels. In Ph-SPEEKK, the average pore diameter is smaller, the sulfonate groups are more closely packed, the hydronium ions are more strongly bound to sulfonate groups, and the diffusion of water and hydronium is slower relative to the corresponding properties in Nafion at comparable hydration levels. The aromatic carbon backbone of Ph-SPEEKK is more rigid and less hydrophobic than the fluorocarbon backbone of Nafion. Water network percolation in Ph-SPEEKK occurs at a hydration level (lambda) of similar to 8 H2O/SO3-. At lambda = 20, water, methanol, and hydronium diffusion coefficients were 1.4 x 10(-5), 0.6 x 10(-5), and 0.2 x 10(-5) cm(2)/s, respectively. For lambda > 20, wide pores develop leading to an increase in methanol crossover and ion transport. C1 [Devanathan, Ram; Idupulapati, Nagesh; Dupuis, Michel] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. RP Devanathan, R (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. EM ram.devanathan@pnnl.gov RI Devanathan, Ram/C-7247-2008 OI Devanathan, Ram/0000-0001-8125-4237 FU DOE's Office of Biological and Environmental Research Pacific Northwest National Laboratory (PNNL); Office of Science of DOE [DE-AC02-05CH1123]; US Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division [DE-AC05-76RL01830] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division, under Contract DE-AC05-76RL01830. It was performed in part using the Molecular Science Computing Facility in the EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE. This work benefited from resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of DOE under Contract No. DE-AC02-05CH1123. NR 58 TC 3 Z9 3 U1 0 U2 17 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 EI 2044-5326 J9 J MATER RES JI J. Mater. Res. PD AUG PY 2012 VL 27 IS 15 BP 1927 EP 1938 DI 10.1557/jmr.2012.165 PG 12 WC Materials Science, Multidisciplinary SC Materials Science GA 984TL UT WOS:000307214700004 ER PT J AU Armstrong, KJ Elbaz, L Bauer, E Burrell, AK McCleskey, TM Brosha, EL AF Armstrong, Karen J. Elbaz, Lior Bauer, Eve Burrell, Anthony K. McCleskey, Thomas M. Brosha, Eric L. TI Nanoscale titania ceramic composite supports for PEM fuel cells SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID OXYGEN REDUCTION REACTION; CATALYST SUPPORT; CARBON NANOTUBES; PLATINUM; ELECTRODES AB Titanium-based ceramic supports designed for polymer electrolyte membrane fuel cells were synthesized, and catalytic activity was explored using electrochemical analysis. Synthesis of high surface area TiO2 and TiO supports was accomplished by rapidly heating a gel of polyethyleneimine-bound titanium in a tube furnace under a forming gas atmosphere. X-ray diffraction analysis revealed anatase phase formation for the TiO2 materials and crystallite sizes of less than 10 nm in both cases. Subsequent disposition of platinum through an incipient wetness approach leads to highly dispersed crystallites of platinum, less than 6 nm each, on the conductive supports. Scanning Electron Microscope (SEM)/energy dispersive x-ray analysis results showed a highly uniform Ti and Pt distribution on the surface of both materials. The supports without platinum are highly stable to acidic aqueous conditions and show no signs of oxygen reduction reactivity (ORR). However, once the 20 wt% platinum is added to the material, ORR activity comparable to XC-72-based materials is observed. C1 [Armstrong, Karen J.; Elbaz, Lior; Bauer, Eve; Burrell, Anthony K.; McCleskey, Thomas M.; Brosha, Eric L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Elbaz, L (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM lior.elbaz@hotmail.com RI McCleskey, Thomas/J-4772-2012; OI Mccleskey, Thomas/0000-0003-3750-3245 FU U.S. Department of Energy FX We wish to thank the U.S. Department of Energy Hydrogen Program for providing funding for this work. NR 28 TC 5 Z9 5 U1 1 U2 31 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD AUG PY 2012 VL 27 IS 15 BP 2046 EP 2054 DI 10.1557/jmr.2012.169 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 984TL UT WOS:000307214700018 ER PT J AU Fry, D Ewert, U Gollwitzer, C Neuser, E Selling, J AF Fry, David Ewert, Uwe Gollwitzer, C. Neuser, E. Selling, J. TI Measuring Microfocal Spots using Digital Radiography SO MATERIALS EVALUATION LA English DT Article DE X-ray; focal spot; digital radiography; unsharpness AB Measurement of microfocus spot size can be important for several reasons: assuring quality during the manufacture of microfocus tubes; tracking performance and stability of microfocus tubes; determining maximum possible magnification for an inspection (especially important for digital radiography where the native spatial resolution of the digital system is inadequate for the application); and contributing to the total unsharpness from the focal spot alone. A theoretical analysis of microfocus spot determination using radiographic techniques is performed, and limits on precision are determined. This is followed by examples of measurements and calculation of focal spot size from those measurements. Measured data are then presented to show the practical application of the technique. C1 [Fry, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ewert, Uwe; Gollwitzer, C.] Bundesanstalt Mat Forsch & Prufung, Berlin, Germany. [Selling, J.] GE Measurement & Control Solut, Phoenix Xray, Wunstorf, Germany. RP Fry, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dafry@lanl.gov; uwe.ewert@bam.de; eberhard.neuser@ge.com FU ASTM E 07 committee FX The authors thank A. Deresch for calculation of accurate X-ray spectra for W-target tubes (reflection target). K. Bavendiek proposed the application of EN 12543-5 with the duplex wire target of ASTM E 2002, which was tested in this paper. C. Bellon and U. Zscherpel supported this project with many ideas and helpful discussions. Y. Onel measured diverse spot profiles with the duplex wire technique. A. Schmitt supported and inspired this project with many ideas and helpful inputs. J. Hunter provided supporting data. The ASTM E 07 committee supported the project for development of a new standard, and T. Gordon initiated this report on the current status of development. NR 7 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC NONDESTRUCTIVE TEST PI COLUMBUS PA 1711 ARLINGATE LANE PO BOX 28518, COLUMBUS, OH 43228-0518 USA SN 0025-5327 J9 MATER EVAL JI Mater. Eval. PD AUG PY 2012 VL 70 IS 8 BP 981 EP 990 PG 10 WC Materials Science, Characterization & Testing SC Materials Science GA 992SY UT WOS:000307801200013 ER PT J AU Bechtel, HA Gainsforth, Z Ogliore, RC Bajt, S Westphal, AJ AF Bechtel, Hans A. Gainsforth, Zack Ogliore, Ryan C. Bajt, Sasa Westphal, Andrew J. TI Surface modifications of comet-exposed aerogel from the Stardust cometary collector SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID 81P/WILD-2; MICROSCOPE; VIBRATIONS; ORGANICS; RETURN AB Keystones removed from the Stardust cometary collector show varying degrees of visible fluorescence when exposed to UV light, with the brightest fluorescence associated with the space-exposed surface. We investigated the spatial characteristics of this phenomenon further by using fluorescence microscopy, confocal Raman microscopy, and synchrotron Fourier transform infrared (FTIR) spectromicroscopy. Twenty-four keystones, extracted from the Stardust cometary collector, were analyzed. Fluorescence measurements show two distributions with different excitation characteristics, indicating the presence of at least two distinct fluorophores. The first distribution is confined to within about 10 mu m of the space-exposed surface, whereas the second distribution is much broader with a maximum that is typically about 3050 mu m below the surface. Confocal Raman measurements did not reveal any changes associated with the surface; however, only features associated with aliphatic hydrocarbons were strong enough to be observed. FTIR measurements, on the other hand, show two distinct distributions at the space-exposed surface: (1) a narrow, surface-confined distribution originating from -O3SiH groups and (2) a broader, sub-surface distribution originating from -O2SiH2 groups. These functional groups were not observed in keystones extracted from the cometary flight spare or from the Stardust interstellar collector, indicating that they may result at least partially from cometary exposure. The presence of O3SiH and O2SiH2 groups at the comet-exposed surface suggests that the enhanced surface fluorescence is caused by defects in the O-Si-O network and not by organic contamination. C1 [Bechtel, Hans A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Gainsforth, Zack; Ogliore, Ryan C.; Westphal, Andrew J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA USA. [Ogliore, Ryan C.] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Bajt, Sasa] DESY, D-2000 Hamburg, Germany. RP Bechtel, HA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM habechtel@lbl.gov RI Bajt, Sasa/G-2228-2010 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Scott Sanford for valuable criticism of the manuscript. We also thank Steve Ruzin and Denise Schichnes at the U.C. Berkeley Biological Imaging Facility. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 14 TC 1 Z9 1 U1 1 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD AUG PY 2012 VL 47 IS 8 BP 1336 EP 1346 DI 10.1111/j.1945-5100.2012.01399.x PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 991TB UT WOS:000307723400008 ER PT J AU Glavin, DP Elsila, JE Burton, AS Callahan, MP Dworkin, JP Hilts, RW Herd, CDK AF Glavin, Daniel P. Elsila, Jamie E. Burton, Aaron S. Callahan, Michael P. Dworkin, Jason P. Hilts, Robert W. Herd, Christopher D. K. TI Unusual nonterrestrial L-proteinogenic amino acid excesses in the Tagish Lake meteorite SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID INTERSTELLAR ICE ANALOGS; CHIRAL-SYMMETRY-BREAKING; MURCHISON METEORITE; CARBONACEOUS CHONDRITES; ASYMMETRIC AUTOCATALYSIS; BIOMOLECULAR CHIRALITY; PARENT BODIES; RACEMIZATION; EVOLUTION; ORIGIN AB The distribution and isotopic and enantiomeric compositions of amino acids found in three distinct fragments of the Tagish Lake C2-type carbonaceous chondrite were investigated via liquid chromatography with fluorescence detection and time-of-flight mass spectrometry and gas chromatography isotope ratio mass spectrometry. Large l-enantiomeric excesses (lee similar to 4359%) of the a-hydrogen aspartic and glutamic amino acids were measured in Tagish Lake, whereas alanine, another a-hydrogen protein amino acid, was found to be nearly racemic (d l) using both techniques. Carbon isotope measurements of d- and l-aspartic acid and d- and l-alanine in Tagish Lake fall well outside of the terrestrial range and indicate that the measured aspartic acid enantioenrichment is indigenous to the meteorite. Alternate explanations for the l-excesses of aspartic acid such as interference from other compounds present in the sample, analytical biases, or terrestrial amino acid contamination were investigated and rejected. These results can be explained by differences in the solidsolution phase behavior of aspartic acid, which can form conglomerate enantiopure solids during crystallization, and alanine, which can only form racemic crystals. Amplification of a small initial l-enantiomer excess during aqueous alteration on the meteorite parent body could have led to the large l-enrichments observed for aspartic acid and other conglomerate amino acids in Tagish Lake. The detection of nonterrestrial l-proteinogenic amino acid excesses in the Tagish Lake meteorite provides support for the hypothesis that significant enantiomeric enrichments for some amino acids could form by abiotic processes prior to the emergence of life. C1 [Glavin, Daniel P.; Elsila, Jamie E.; Callahan, Michael P.; Dworkin, Jason P.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Burton, Aaron S.] Oak Ridge Associated Univ, NASA, Greenbelt, MD 20771 USA. [Hilts, Robert W.] Grant MacEwan Univ, Dept Phys Sci, Edmonton, AB T5J 4S2, Canada. [Herd, Christopher D. K.] Univ Alberta, Dept Earth & Atmospher Sci, Edmonton, AB T6G 2E3, Canada. RP Glavin, DP (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. EM daniel.p.glavin@nasa.gov RI Elsila, Jamie/C-9952-2012; Burton, Aaron/H-2212-2011; Callahan, Michael/D-3630-2012; Glavin, Daniel/D-6194-2012; Dworkin, Jason/C-9417-2012 OI Burton, Aaron/0000-0002-7137-1605; Glavin, Daniel/0000-0001-7779-7765; Dworkin, Jason/0000-0002-3961-8997 FU National Aeronautics and Space Administration (NASA) Astrobiology Institute; Goddard Center for Astrobiology; NASA Cosmochemistry Program; Natural Sciences and Engineering Research Council of Canada; NASA FX Funding support was received from the National Aeronautics and Space Administration (NASA) Astrobiology Institute and the Goddard Center for Astrobiology, the NASA Cosmochemistry Program, and the Natural Sciences and Engineering Research Council of Canada. A. S. Burton is supported by a NASA Postdoctoral Program fellowship administered by Oak Ridge Associated Universities through a contract with NASA. We thank D. N. Simkus for assistance with the meteorite sample preparation and solvent extractions, J. L. Bada for helpful comments on the manuscript, and D. Blackmond and M. Zolensky for valuable discussions. We also appreciate S. Macko, S. Sandford, P. Ehrenfreund, and two anonymous reviewers for careful review of the manuscript. NR 63 TC 41 Z9 42 U1 2 U2 40 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 AUG PY 2012 VL 47 IS 8 BP 1347 EP 1364 DI 10.1111/j.1945-5100.2012.01400.x PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 991TB UT WOS:000307723400009 ER PT J AU Hilton, M Romer, AK Kay, ST Mehrtens, N Lloyd-Davies, EJ Thomas, PA Short, CJ Mayers, JA Rooney, PJ Stott, JP Collins, CA Harrison, CD Hoyle, B Liddle, AR Mann, RG Miller, CJ Sahlen, M Viana, PTP Davidson, M Hosmer, M Nichol, RC Sabirli, K Stanford, SA West, MJ AF Hilton, Matt Romer, A. Kathy Kay, Scott T. Mehrtens, Nicola Lloyd-Davies, E. J. Thomas, Peter A. Short, Chris J. Mayers, Julian A. Rooney, Philip J. Stott, John P. Collins, Chris A. Harrison, Craig D. Hoyle, Ben Liddle, Andrew R. Mann, Robert G. Miller, Christopher J. Sahlen, Martin Viana, Pedro T. P. Davidson, Michael Hosmer, Mark Nichol, Robert C. Sabirli, Kivanc Stanford, S. A. West, Michael J. TI The XMM Cluster Survey: evidence for energy injection at high redshift from evolution of the X-ray luminosity-temperature relation SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: clusters: general; galaxies: clusters: intracluster medium; galaxies: high-redshift; cosmology: observations; X-rays: galaxies: clusters ID ACTIVE GALACTIC NUCLEI; MASSIVE GALAXY CLUSTERS; SCALING RELATIONS; PARAMETER CONSTRAINTS; NEWTON OBSERVATIONS; OBSERVED GROWTH; T RELATION; SAMPLE; GAS; CHANDRA AB We measure the evolution of the X-ray luminositytemperature (LX - T) relation since z similar to 1.5 using a sample of 211 serendipitously detected galaxy clusters with spectroscopic redshifts drawn from the XMM Cluster Survey first data release (XCS-DR1). This is the first study spanning this redshift range using a single, large, homogeneous cluster sample. Using an orthogonal regression technique, we find no evidence for evolution in the slope or intrinsic scatter of the relation since z similar to 1.5, finding both to be consistent with previous measurements at z similar to 0.1. However, the normalization is seen to evolve negatively with respect to the self-similar expectation: we find E-1(z)?LX = 1044.67 +/- 0.09(T/5)3.04 +/- 0.16(1 + z)-1.5 +/- 0.5, which is within 2 sigma of the zero evolution case. We see milder, but still negative, evolution with respect to self-similar when using a bisector regression technique. We compare our results to numerical simulations, where we fit simulated cluster samples using the same methods used on the XCS data. Our data favour models in which the majority of the excess entropy required to explain the slope of the LX - T relation is injected at high redshift. Simulations in which active galactic nucleus feedback is implemented using prescriptions from current semi-analytic galaxy formation models predict the positive evolution of the normalization, and differ from our data at more than 5 sigma. This suggests that more efficient feedback at high redshift may be needed in these models. C1 [Hilton, Matt] Univ Nottingham, Ctr Astron & Particle Theory, Sch Phys & Astron, Nottingham NG7 2RD, England. [Hilton, Matt] Univ KwaZulu Natal, Astrophys & Cosmol Res Unit, Sch Math Stat & Comp Sci, ZA-4000 Durban, South Africa. [Romer, A. Kathy; Mehrtens, Nicola; Lloyd-Davies, E. J.; Thomas, Peter A.; Short, Chris J.; Mayers, Julian A.; Rooney, Philip J.; Liddle, Andrew R.; Hosmer, Mark; Sabirli, Kivanc] Univ Sussex, Ctr Astron, Brighton BN1 9QH, E Sussex, England. [Kay, Scott T.] Univ Manchester, Jodrell Bank, Ctr Astrophys, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Stott, John P.] Univ Durham, Extragalact & Cosmol Grp, Dept Phys, Durham DH1 3LE, England. [Collins, Chris A.] Liverpool John Moores Univ, Astrophys Res Inst, Birkenhead CH41 1LD, Merseyside, England. [Harrison, Craig D.; Miller, Christopher J.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Hoyle, Ben] Inst Ciencies Cosmos ICCUB, Dept Fis, Barcelona 08034, Spain. [Mann, Robert G.; Davidson, Michael] Univ Edinburgh, Inst Astron, SUPA, Royal Observ, Edinburgh EH9 3HJ, Midlothian, Scotland. [Sahlen, Martin] Stockholm Univ, Dept Phys, Oskar Klein Ctr Cosmoparticle Phys, SE-10691 Stockholm, Sweden. [Viana, Pedro T. P.] Univ Porto, Ctr Astrofis, P-4150762 Oporto, Portugal. [Viana, Pedro T. P.] Univ Porto, Dept Fis & Astron, Fac Ciencias, P-4169007 Oporto, Portugal. [Nichol, Robert C.] Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Stanford, S. A.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Stanford, S. A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. [West, Michael J.] ESO, Santiago, Chile. RP Hilton, M (reprint author), Univ Nottingham, Ctr Astron & Particle Theory, Sch Phys & Astron, Nottingham NG7 2RD, England. EM matthew.hilton@nottingham.ac.uk RI Hilton, Matthew James/N-5860-2013; OI hoyle, ben/0000-0002-2571-1357; Viana, Pedro/0000-0003-1572-8531; Sahlen, Martin/0000-0003-0973-4804; Thomas, Peter/0000-0001-6888-6483 FU Science and Technology Facilities Council (STFC) [ST/F002858/1, ST/I000976/1, ST/H002391/1, PP/E001149/1, ST/G002592/1]; Leverhulme Trust; University of KwaZulu-Natal; University of Sussex; Fundacao para a Ciencia e a Tecnologia [PTDC/CTE-AST/64711/2006]; South East Physics Network; Swedish Research Council (VR) through the Oskar Klein Centre for Cosmoparticle Physics; RAS Hosie Bequest; University of Edinburgh; US Department of Energy, National Nuclear Security Administration by the University of California, Lawrence Livermore National Laboratory [W-7405-Eng-48]; Royal Society; [FP7-PEOPLE-2007-43-IRG 20218] FX We thank Eric Miller and Gabriel Pratt for useful discussions. Financial support for this project was provided by the Science and Technology Facilities Council (STFC) through grants ST/F002858/1 and/or ST/I000976/1 (for EJL-D, AKR, NM, MHo, ARL and MS), ST/H002391/1 and PP/E001149/1 (for CAC), ST/G002592/1 (for STK); the Leverhulme Trust (for MHi); the University of KwaZulu-Natal (for MHi); the University of Sussex (for MHo); FP7-PEOPLE-2007-43-IRG 20218 (for BH); Fundacao para a Ciencia e a Tecnologia through the project PTDC/CTE-AST/64711/2006 (for PTPV); the South East Physics Network (for RCN); the Swedish Research Council (VR) through the Oskar Klein Centre for Cosmoparticle Physics (for MS); the RAS Hosie Bequest and the University of Edinburgh (for MD); the US Department of Energy, National Nuclear Security Administration by the University of California, Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48 (for SAS). JPS acknowledges support from STFC. ARL was supported by a Royal Society-Wolfson Research Merit Award. NR 68 TC 11 Z9 11 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD AUG PY 2012 VL 424 IS 3 BP 2086 EP 2096 DI 10.1111/j.1365-2966.2012.21359.x PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 982CC UT WOS:000307018300039 ER PT J AU Tojeiro, R Percival, WJ Brinkmann, J Brownstein, JR Eisenstein, DJ Manera, M Maraston, C McBride, CK Muna, D Reid, B Ross, AJ Ross, NP Samushia, L Padmanabhan, N Schneider, DP Skibba, R Sanchez, AG Swanson, MEC Thomas, D Tinker, JL Verde, L Wake, DA Weaver, BA Zhao, GB AF Tojeiro, Rita Percival, Will J. Brinkmann, Jon Brownstein, Joel R. Eisenstein, Daniel J. Manera, Marc Maraston, Claudia McBride, Cameron K. Muna, Demitri Reid, Beth Ross, Ashley J. Ross, Nicholas P. Samushia, Lado Padmanabhan, Nikhil Schneider, Donald P. Skibba, Ramin Sanchez, Ariel G. Swanson, Molly E. C. Thomas, Daniel Tinker, Jeremy L. Verde, Licia Wake, David A. Weaver, Benjamin A. Zhao, Gong-Bo TI The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: measuring structure growth using passive galaxies SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE surveys; Cosmology: observations; dark energy - large-scale structure of Universe ID DIGITAL SKY SURVEY; DARK ENERGY SURVEY; LUMINOUS RED GALAXIES; ACOUSTIC-OSCILLATIONS; COSMIC STRUCTURE; REDSHIFT SURVEY; DATA RELEASE; BIAS; SPACE; CONSTRAINTS AB We explore the benefits of using a passively evolving population of galaxies to measure the evolution of the rate of structure growth between z = 0.25 and 0.65 by combining data from the Sloan Digital Sky Survey (SDSS) I/II and SDSS-III surveys. The large-scale linear bias of a population of dynamically passive galaxies, which we select from both surveys, is easily modelled. Knowing the bias evolution breaks degeneracies inherent to other methodologies, and decreases the uncertainty in measurements of the rate of structure growth and the normalization of the galaxy power spectrum by up to a factor of 2. If we translate our measurements into a constraint on s8(z = 0) assuming a concordance cosmological model and general relativity (GR), we find that using a bias model improves our uncertainty by a factor of nearly 1.5. Our results are consistent with a flat ? cold dark matter model and with GR. C1 [Tojeiro, Rita; Percival, Will J.; Manera, Marc; Maraston, Claudia; Ross, Ashley J.; Samushia, Lado; Thomas, Daniel; Zhao, Gong-Bo] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Brinkmann, Jon] Apache Point Observ, Sunspot, NM 88349 USA. [Brownstein, Joel R.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Eisenstein, Daniel J.; McBride, Cameron K.; Swanson, Molly E. C.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Muna, Demitri; Tinker, Jeremy L.; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Reid, Beth; Ross, Nicholas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Padmanabhan, Nikhil; Wake, David A.] Yale Univ, Dept Astron, New Haven, CT 06520 USA. [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. [Skibba, Ramin] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. [Verde, Licia] Univ Barcelona, ICREA, E-08028 Barcelona, Spain. [Verde, Licia] Univ Barcelona, ICC UB, E-08028 Barcelona, Spain. [Zhao, Gong-Bo] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China. RP Tojeiro, R (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg,Burnaby Rd, Portsmouth PO1 3FX, Hants, England. EM rita.tojeiro@port.ac.uk OI Verde, Licia/0000-0003-2601-8770 FU European Research Council; National Science Foundation [AST-0901965]; Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX RT and WJP are thankful for support from the European Research Council. MECS was supported by the National Science Foundation under Award No. AST-0901965. 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. The SDSS-III website 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 40 TC 48 Z9 48 U1 2 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD AUG PY 2012 VL 424 IS 3 BP 2339 EP 2344 DI 10.1111/j.1365-2966.2012.21404.x PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 982CC UT WOS:000307018300059 ER PT J AU Zhang, WH Wu, YX Simonnot, MO AF Zhang Wei-Hua Wu Ying-Xin Simonnot, M. O. TI Soil Contamination due to E-Waste Disposal and Recycling Activities: A Review with Special Focus on China SO PEDOSPHERE LA English DT Review DE co-cropping; heavy metals; organic compounds; pollution; remediation ID POLYBROMINATED DIPHENYL ETHERS; BROMINATED FLAME RETARDANTS; DIBENZO-P-DIOXINS; POLYCYCLIC AROMATIC-HYDROCARBONS; CHEMICAL INDUSTRIAL-COMPLEX; HEAVY-METAL CONTAMINATION; ZONE COMBUSTION PROCESS; PEARL RIVER DELTA; ELECTRONIC-WASTE; DECHLORANE PLUS AB This paper presents a review of soil contamination resulting from e-waste recycling activities, with a special focus on China, where many data have been collected for a decade. Soils in the e-waste areas are often contaminated by heavy metals and organic compounds, mainly polycyclic aromatic hydrocarbons (PAHs), polybrominated diphenyl ethers (PBDEs), polychlorinated and polybrominated biphenyls (PCBs and PBBs), dechlorane plus (DP), hexabromocyclododecanes (HBCDs), polychlorinated and polybrominated dibenzop-d-ioxins (PCDDs and PBDDs), and polychlorinated and polybrominated dibenzofurans (PCDFs and PBDFs), while other compounds, not systematically monitored, can be found as well. Pollutants are generally present in mixtures, so pollution situations are complex and diversified with a gradient of contamination from agricultural soils to hot spots at e-waste sites and mainly in open burning areas. It has been proved that pollutants were transferred to the food chain via rice in China, and that the population was threatened since high levels of various pollutants were detected in blood, placentas, hair, etc., of residents of e-waste sites. Eventually, soil remediation techniques are reviewed. Although there are many available techniques devoted to heavy metals and persistent organic pollutants, the current techniques for the e-waste sites, where these contaminants coexist, are very sparse. Phytoremediation has been investigated and co-cropping appears as a promising approach for the slightly contaminated agricultural soils. In some cases, different remediation techniques should be combined or trained, while the influence of coexisting contaminants and the removal sequence of contaminants should be considered. In hot spots, physical and chemical techniques should be used to reduce high pollution levels to prevent further pollutant dissemination. This review highlights the urgent needs for 1) characterization of pollution status in all the countries where e-wastes are recycled, 2) research on fate and toxicity of pollutant mixtures, and 3) development of combined techniques and strategies to remediate agricultural fields and hot spots of pollution. C1 [Simonnot, M. O.] Univ Lorraine, LRGP, CNRS, UPR 3349, F-54001 Nancy, France. [Zhang Wei-Hua; Wu Ying-Xin] Sun Yat Sen Univ, Sch Environm Sci & Engn, Guangzhou 510275, Guangdong, Peoples R China. [Zhang Wei-Hua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Zhang Wei-Hua] Guangdong Prov Key Lab Environm Pollut Control &, Guangzhou 510275, Guangdong, Peoples R China. RP Simonnot, MO (reprint author), Univ Lorraine, LRGP, CNRS, UPR 3349, 1 Rue Grandville,BP20451, F-54001 Nancy, France. EM marie-odile.simonnot@univ-lorraine.fr RI Simonnot, Marie-Odile/H-3522-2011; Simonnot, Marie-Odile/O-2890-2013 OI Simonnot, Marie-Odile/0000-0002-5670-3405 FU Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, China; Chinese Scholarship Council FX Supported by the Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, China and the Chinese Scholarship Council. NR 167 TC 28 Z9 29 U1 25 U2 288 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1002-0160 J9 PEDOSPHERE JI Pedosphere PD AUG PY 2012 VL 22 IS 4 SI SI BP 434 EP 455 PG 22 WC Soil Science SC Agriculture GA 984QP UT WOS:000307206400003 ER PT J AU Fan, JL Yan, CS Andre, C Shanklin, J Schwender, J Xu, CC AF Fan, Jilian Yan, Chengshi Andre, Carl Shanklin, John Schwender, Joerg Xu, Changcheng TI Oil accumulation is controlled by carbon precursor supply for fatty acid synthesis in Chlamydomonas reinhardtii SO PLANT AND CELL PHYSIOLOGY LA English DT Article DE Chlamydomonas reinhardtii; Fatty acids; Starch; Triacylglycerol ID OILSEED RAPE; LIPID-METABOLISM; NITROGEN DEFICIENCY; DEVELOPING EMBRYOS; OVER-EXPRESSION; GENE-EXPRESSION; BIOSYNTHESIS; ARABIDOPSIS; STARCH; MUTANT AB Microalgal oils have attracted much interest as potential feedstocks for renewable fuels, yet our understanding of the regulatory mechanisms controlling oil biosynthesis and storage in microalgae is rather limited. Using Chlamydomonas reinhardtii as a model system, we show here that starch, rather than oil, is the dominant storage sink for reduced carbon under a wide variety of conditions. In short-term treatments, significant amounts of oil were found to be accumulated concomitantly with starch only under conditions of N starvation, as expected, or in cells cultured with high acetate in otherwise standard growth medium. Time-course analysis revealed that oil accumulation under N starvation lags behind that of starch and rapid oil synthesis occurs only when carbon supply exceeds the capacity of starch synthesis. In the starchless mutant BAFJ5, blocking starch synthesis results in significant increases in the extent and rate of oil accumulation. In the parental strain, but not the starchless mutant, oil accumulation under N starvation was strictly dependent on the available external acetate supply and the amount of oil increased steadily as the acetate concentration increased to the levels several-fold higher than that of the standard growth medium. Additionally, oil accumulation under N starvation is saturated at low light intensities and appears to be largely independent of de novo protein synthesis. Collectively, our results suggest that carbon availability is a key metabolic factor controlling oil biosynthesis and carbon partitioning between starch and oil in Chlamydomonas. C1 [Fan, Jilian; Yan, Chengshi; Andre, Carl; Shanklin, John; Schwender, Joerg; Xu, Changcheng] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Xu, CC (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM cxu@bnl.gov RI Yan, Chengshi/O-5639-2014; Schwender, Jorg/P-2282-2014 OI Schwender, Jorg/0000-0003-1350-4171 FU Office of Energy Efficiency and Renewable Energy, Biomass Program of the US Department of Energy; Office of Basic Energy Sciences, of the US Department of Energy FX This work was supported by the Office of Energy Efficiency and Renewable Energy, Biomass Program, and by the Office of Basic Energy Sciences, of the US Department of Energy. NR 59 TC 94 Z9 98 U1 3 U2 102 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0032-0781 J9 PLANT CELL PHYSIOL JI Plant Cell Physiol. PD AUG PY 2012 VL 53 IS 8 BP 1380 EP 1390 DI 10.1093/pcp/pcs082 PG 11 WC Plant Sciences; Cell Biology SC Plant Sciences; Cell Biology GA 993CY UT WOS:000307834200003 PM 22642988 ER PT J AU Karakoti, AS Munusamy, P Hostetler, K Kodali, V Kuchibhatla, S Orr, G Pounds, JG Teeguarden, JG Thrall, BD Baer, DR AF Karakoti, A. S. Munusamy, P. Hostetler, K. Kodali, V. Kuchibhatla, S. Orr, G. Pounds, J. G. Teeguarden, J. G. Thrall, B. D. Baer, D. R. TI Preparation and characterization challenges to understanding environmental and biological impacts of ceria nanoparticles SO SURFACE AND INTERFACE ANALYSIS LA English DT Article DE nanomaterials; nanoparticles; ENM; cerium oxide; ceria; synthesis; nanocrystallite; biological endpoints ID METAL-OXIDE NANOPARTICLES; CEO2 NANOPARTICLES; OXIDATIVE STRESS; BIOMEDICAL APPLICATIONS; INHALATION TOXICITY; AMORPHOUS SILICAS; ESCHERICHIA-COLI; NANOSCALE CERIA; LUNG-CANCER; REDOX STATE AB Increasingly, it is recognized that understanding and predicting nanoparticle behavior are often limited by the reliability and reproducibility of the production methods as well as the extent to which they are adequately characterized. Two examples are used to demonstrate how sample preparation methods and processing history may significantly impact particle behavior: (1) an examination of cerium oxide (ceria) particles reported in the literature in relation to the biological responses observed and (2) observations showing the influence of synthesis details on the aging of ceria nanoparticles. Examining data from the literature for ceria nanoparticles suggests that thermal history is one factor that has a strong influence on biological impact. Thermal processing may alter many physicochemical properties of the particles, including density, crystal structure, and the presence of surface contamination. However, these properties may not be sufficiently recorded or reported to determine the ultimate source of an observed impact. A second example shows the types of difficulties that can be encountered in efforts to apply a well-studied synthesis route to producing well-defined particles for biological studies. These examples and others further highlight the importance of characterizing particles thoroughly and recording details of particle processing and history that too often are underreported. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Baer, D. R.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Baer, DR (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Box 999,K8-93, Richland, WA 99352 USA. EM don.baer@pnnl.gov RI Kodali, Vamsi/D-2497-2009; Baer, Donald/J-6191-2013; munusamy, prabhakaran/G-4598-2014; OI Baer, Donald/0000-0003-0875-5961; Pounds, Joel/0000-0002-6616-1566; Kodali, Vamsi/0000-0001-6177-0568 FU National Institute of Environmental Health Sciences [NIH U19 ES019544]; US Department of Energy, Office of Biological and Environmental Research at Pacific Northwest National Laboratory FX This work has been supported by the National Institute of Environmental Health Sciences under Grant NIH U19 ES019544. Portions of this research were performed using EMSL, a national scientific user facility sponsored by the US Department of Energy, Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 80 TC 44 Z9 44 U1 5 U2 61 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0142-2421 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD AUG PY 2012 VL 44 IS 8 SI SI BP 882 EP 889 DI 10.1002/sia.5006 PG 8 WC Chemistry, Physical SC Chemistry GA 977LM UT WOS:000306662600002 PM 23430137 ER PT J AU Tumeo, A Secchi, S Villa, O AF Tumeo, Antonino Secchi, Simone Villa, Oreste TI Designing Next-Generation Massively Multithreaded Architectures for Irregular Applications SO COMPUTER LA English DT Article AB Massively multithreaded architectures like the Cray XMT address the needs of irregular data-intensive applications better than commodity clusters. A proposed evolution of the XMT integrates multicore processors and next-generation interconnects, along with memory reference aggregation to optimize network utilization. C1 [Tumeo, Antonino; Secchi, Simone; Villa, Oreste] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Tumeo, A (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM antonino.tumeo@pnnl.gov; simone.secchi@pnnl.gov; oreste.villa@pnnl.gov RI Tumeo, Antonino/L-3106-2016 NR 9 TC 1 Z9 1 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9162 J9 COMPUTER JI Computer PD AUG PY 2012 VL 45 IS 8 BP 53 EP 61 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering SC Computer Science GA 987RI UT WOS:000307434400019 ER PT J AU Jung, YS Cavanagh, AS Gedvilas, L Widjonarko, NE Scott, ID Lee, SH Kim, GH George, SM Dillon, AC AF Jung, Yoon Seok Cavanagh, Andrew S. Gedvilas, Lynn Widjonarko, Nicodemus E. Scott, Isaac D. Lee, Se-Hee Kim, Gi-Heon George, Steven M. Dillon, Anne C. TI Improved Functionality of Lithium-Ion Batteries Enabled by Atomic Layer Deposition on the Porous Microstructure of Polymer Separators and Coating Electrodes SO ADVANCED ENERGY MATERIALS LA English DT Article DE batteries; surface modifications; hybrid materials; composite materials; functional coatings ID CYCLING PERFORMANCE; COATED SEPARATORS; ANODE MATERIALS; CELLS; STABILITY AB Atomic layer deposition (ALD) of Al2O3 is applied on a polypropylene separator for lithium-ion batteries. A thin Al2O3 layer (<10 nm) is coated on every surface of the porous polymer microframework without significantly increasing the total separator thickness. The thin Al2O3 ALD coating results in significantly suppressed thermal shrinkage, which may lead to improved safety of the batteries. More importantly, the wettability of Al2O3 ALD-coated separators in an extremely polar electrolyte based on pure propylene carbonate (PC) solvent is demonstrated, without any decrease in electrochemical performances such as capacity, rate capability, and cycle life. Finally, a LiCoO2/natural graphite full cell is demonstrated under extremely severe conditions (pure PC-based electrolyte and high (4.5 V) upper cut-off potential), which is enabled by the Al2O3 ALD coating on all three components (cathode, anode, and separator). C1 [Jung, Yoon Seok; Gedvilas, Lynn; Widjonarko, Nicodemus E.; Scott, Isaac D.; Kim, Gi-Heon; Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Jung, Yoon Seok] UNIST, Interdisciplinary Sch Green Energy, Ulsan 689798, South Korea. [Scott, Isaac D.; Lee, Se-Hee] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Cavanagh, Andrew S.; Widjonarko, Nicodemus E.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [George, Steven M.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [George, Steven M.] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. RP Jung, YS (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM ysjung@unist.ac.kr; Anne.Dillon@nrel.gov RI Lee, Sehee/A-5989-2011; George, Steven/O-2163-2013; Jung, Yoon Seok/B-8512-2011 OI George, Steven/0000-0003-0253-9184; Jung, Yoon Seok/0000-0003-0357-9508 FU US Department of Energy through the National Renewable Energy Laboratory's Laboratory Directed Research and Development Program [DE-AC36-08-GO28308]; Energy Efficiency and Resources R&D program under the Ministry of Knowledge Economy, Republic of Korea [20112010100150]; UNIST (Ulsan National Institute of Science and Technology) FX This research was funded by the US Department of Energy under Contract No. DE-AC36-08-GO28308 through the National Renewable Energy Laboratory's Laboratory Directed Research and Development Program. This work was also supported by Energy Efficiency and Resources R&D program (20112010100150) under the Ministry of Knowledge Economy, Republic of Korea, and by the year of 2011 Research Fund of the UNIST (Ulsan National Institute of Science and Technology). The authors thank Bobby To for FESEM images and EDS maps, and Katherine Hurst and Joel Pankow for assisting with TGA measurements, and contact angle measurements, respectively. NR 28 TC 75 Z9 79 U1 13 U2 156 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD AUG PY 2012 VL 2 IS 8 BP 1022 EP 1027 DI 10.1002/aenm.201100750 PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA 986LU UT WOS:000307343900017 ER PT J AU Ban, CM Yin, WJ Tang, HW Wei, SH Yan, YF Dillon, AC AF Ban, Chunmei Yin, Wan-Jian Tang, Houwen Wei, Su-Huai Yan, Yanfa Dillon, Anne C. TI A Novel Codoping Approach for Enhancing the Performance of LiFePO4 Cathodes SO ADVANCED ENERGY MATERIALS LA English DT Article DE lithium ion batteries; olivine structure; codoping; density-functional theory ID TOTAL-ENERGY CALCULATIONS; LITHIUM IRON PHOSPHATE; AUGMENTED-WAVE METHOD; ALIOVALENT SUBSTITUTIONS; BASIS-SET; CARBON; IMPACT; BATTERIES AB By combining experimental and theoretical studies, we have demonstrated that donor-acceptor charge-compensating codoping is a promising approach to significantly enhance the rate performance of LiFePO4 cathodes. Our density-functional theory calculation predicts that codoping with Si on the P site and F on the O site modifies the nature of the conduction band edge of LiFePO4 from localized Fe 3d derived states to more delocalized F s and cation s derived states. This effect, thus changes the carrier transport from a poloron-like to a band-like mechanism, and consequently leads to significant improvement in the electrical conductivity of LiFePO4. Most importantly, our comparative doping experiments show that the electrical conductivity of Si P -FO codoped LiFePO4 exhibits at least 2 to 3 orders of magnitude increase in electrical conductivity as compared to that of un-doped LiFePO4. Because of the dramatic improvement of electrical conductivity, the optimal Si-F codoped LiFePO4 shows both a much higher rate-capability than un-doped LiFePO4 or LiFePO4 solely doped with either Si or F. Furthermore, we also believe that the charge-compensating codoping approach may be employed to improve the performance of other cathode materials suffering from inferior electrical conductivities due to localized conduction band states. C1 [Ban, Chunmei; Tang, Houwen; Wei, Su-Huai; Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Yin, Wan-Jian; Yan, Yanfa] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. RP Ban, CM (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM chunmei.ban@nrel.gov; yanfa.yan@utoledo.edu RI Yin, Wanjian/F-6738-2013 FU National Renewable Energy Laboratory's Director's Research and Development Program FX We would like to thank Dr. John P. Chandler and Ph.D. student Feng Lin at the Colorado School of Mines for SEM characterization. We also acknowledge Ph.D. student Isaac Scott for helping with the measurements of resistivity for the materials. Finally, we gratefully acknowledge funding support from the National Renewable Energy Laboratory's Director's Research and Development Program. NR 25 TC 31 Z9 31 U1 3 U2 103 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD AUG PY 2012 VL 2 IS 8 BP 1028 EP 1032 DI 10.1002/aenm.201200085 PG 5 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA 986LU UT WOS:000307343900018 ER PT J AU Chichester, DL Johnson, JT Seabury, EH AF Chichester, D. L. Johnson, J. T. Seabury, E. H. TI Fast-neutron spectrometry using a He-3 ionization chamber and digital pulse shape analysis SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Neutron spectrometry; Neutron scattering; Californium-252 ID RISETIME DISCRIMINATION; PROPORTIONAL-COUNTERS; ENERGY-SPECTRA; AM-BE; CALIBRATION AB Digital pulse shape analysis (dPSA) has been used with a Cuttler-Shalev type He-3 ionization chamber to measure the fast-neutron spectra of a deuterium-deuterium electronic neutron generator, a bare Cf-252 spontaneous fission neutron source, and of the transmitted fast neutron spectra of a 252Cf source attenuated by water, graphite, liquid nitrogen, and magnesium. Rise-time dPSA has been employed using the common approach for analyzing n + He-3 -> H-1+H-3 ionization events and improved to account for wall-effect and pile-up events, increasing the fidelity of these measurements. Simulations have been performed of the different experimental arrangements and compared with the measurements, demonstrating general agreement between the dPSA-processed fast-neutron spectra and predictions. The fast-neutron resonance features of the attenuation cross sections of the attenuating materials are clearly visible within the resolution limits of the electronics used for the measurements, and the potential applications of high-resolution fast-neutron spectrometry for nuclear nonproliferation and safeguards measurements are discussed. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Chichester, D. L.; Johnson, J. T.; Seabury, E. H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Chichester, DL (reprint author), Idaho Natl Lab, 2525N Fremont Ave, Idaho Falls, ID 83415 USA. EM david.chichester@inl.gov RI Johnson, James/B-9689-2017 OI Johnson, James/0000-0002-3434-4413 FU Idaho National Laboratory as part of a Laboratory Directed Research and Development; U.S. Department of Energy FX This work was supported by Idaho National Laboratory as part of a Laboratory Directed Research and Development funded project. Idaho National Laboratory is operated for the U.S. Department of Energy by Battelle Energy Alliance under DOE contract DE-AC07-05-ID14517. NR 38 TC 3 Z9 3 U1 1 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2012 VL 70 IS 8 BP 1457 EP 1463 DI 10.1016/j.apradiso.2011.12.045 PG 7 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 987KM UT WOS:000307415800001 PM 22728128 ER PT J AU Zhang, XD Hayward, JP Cates, JW Hausladen, PA Laubach, MA Sparger, JE Donnald, SB AF Zhang, Xiaodong Hayward, Jason P. Cates, Joshua W. Hausladen, Paul A. Laubach, Mitchell A. Sparger, Johnathan E. Donnald, Samuel B. TI Benchmarking the GEANT4 full system simulation of an associated alpha-particle detector for use in a D-T neutron generator SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Fast neutron imaging; Associated alpha-particle detector; YAP:Ce; GEANT4 ID YAP-CE; SCINTILLATION PROPERTIES; SINGLE-CRYSTALS; FILMS; BEAMS AB The position-sensitive alpha-particle detector used to provide the starting time and initial direction of D-T neutrons in a fast-neutron imaging system was simulated with a GEANT4-based Monte Carlo program. The whole detector system, which consists of a YAP:Ce scintillator, a fiber-optic faceplate, a light guide, and a position-sensitive photo-multiplier tube (PSPMT), was modeled, starting with incident D-T alphas. The scintillation photons, whose starting time follows the distribution of a scintillation decay curve, were produced and emitted uniformly into a solid angle of 4 pi along the track segments of the alpha and its secondaries. Through tracking all photons and taking into account the quantum efficiency of the photocathode, the number of photoelectrons and their time and position distributions were obtained. Using a four-corner data reconstruction formula, the flood images of the alpha detector with and without optical grease between the YAP scintillator and the fiber-optic faceplate were obtained, which show agreement with the experimental results. The reconstructed position uncertainties of incident alpha particles for both cases are 1.198 mm and 0.998 mm respectively across the sensitive area of the detector. Simulation results also show that comparing with other faceplates composed of 500 mu m, 300 mu m, and 100 mu m fibers, the 10-mu m-fiber faceplate is the best choice to build the detector for better position performance. In addition, the study of the background originating inside the D-T generator suggests that for 500-mu m-thick YAP:Ce coated with 1-mu m-thick aluminum, and very good signal-to-noise ratio can be expected through application of a simple threshold. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Zhang, Xiaodong; Hayward, Jason P.; Cates, Joshua W.; Hausladen, Paul A.; Laubach, Mitchell A.; Sparger, Johnathan E.; Donnald, Samuel B.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Hayward, Jason P.; Hausladen, Paul A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Zhang, XD (reprint author), Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. EM xzhang39@utk.edu FU U.S. Department of Homeland Security [2010-DN-077-ARI044-02] FX This material is based upon work supported by the U.S. Department of Homeland Security under Grant Award Number 2010-DN-077-ARI044-02. NR 21 TC 5 Z9 5 U1 2 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2012 VL 70 IS 8 BP 1485 EP 1493 DI 10.1016/j.apradiso.2012.04.026 PG 9 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 987KM UT WOS:000307415800006 PM 22728838 ER PT J AU Rao, DV Swapna, M Cesareo, R Brunetti, A Akatsuka, T Yuasa, T Zhong, Z Takeda, T Gigante, GE AF Rao, Donepudi V. Swapna, Medasani Cesareo, Roberto Brunetti, Antonio Akatsuka, Tako Yuasa, Tetsuya Zhong, Zhong Takeda, Tohoru Gigante, Giovanni E. TI Synchrotron-based DEI for bio-imaging and DEI-CT to image phantoms with contrast agents SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE DEI-CT; Brain phantom; Contrast agents; Water; Physiological saline; Iodine ID X-RAY TECHNIQUE; COMPUTED-TOMOGRAPHY; SOFT-TISSUE; DIFFRACTION; RADIOGRAPHY; REFRACTION; IMPLEMENTATION; CARTILAGE; MODEL AB The introduction of water, physiological, or iodine as contrast agents is shown to enhance minute image features in synchrotron-based X-ray diffraction radiographic and tomographic imaging. Anatomical features of rat kidney, such as papillary ducts, ureter, renal artery and renal vein are clearly distinguishable. Olfactory bulb, olfactory tact, and descending bundles of the rat brain are visible with improved contrast. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Rao, Donepudi V.; Swapna, Medasani; Cesareo, Roberto; Brunetti, Antonio] Univ Sassari, Ist Matemat & Fis, I-07100 Sassari, Italy. [Akatsuka, Tako; Yuasa, Tetsuya] Yamagata Univ, Fac Engn, Dept Biosyst Engn, Yonezawa, Yamagata 992, Japan. [Zhong, Zhong] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Takeda, Tohoru] Kitasato Univ, Sagamihara, Kanagawa 2288555, Japan. [Gigante, Giovanni E.] Univ Rome, Dipartimento Fis, I-00185 Rome, Italy. RP Rao, DV (reprint author), Univ Sassari, Ist Matemat & Fis, Via Vienna 2, I-07100 Sassari, Italy. EM dvrao@uniss.it RI brunetti, antonio/F-3370-2011; Yuasa, Tetsuya/F-5006-2013; OI brunetti, antonio/0000-0002-0116-1899; Gigante, Giovanni Ettore/0000-0001-5943-9366 FU ICTP, Trieste, Italy; Istituto di Matematica e Fisica, Universita di Sassari, Italy; Department of Bio-Systems Engineering, Yamagata University, Yonezawa, Japan; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX One of the author's (DVR) undertook part of this work with a support from ICTP, Trieste, Italy, Istituto di Matematica e Fisica, Universita di Sassari, Italy and Department of Bio-Systems Engineering, Yamagata University, Yonezawa, Japan and in the form of collaboration form the beamline scientist (Zhong Zhong), NSLS, BNL, USA. The travel support at the time of experiments was provided by DST. India, under the category of "Utilization of synchrotron and neutron scattering facilities". "Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-98CH10886". NR 36 TC 2 Z9 2 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2012 VL 70 IS 8 BP 1570 EP 1578 DI 10.1016/j.apradiso.2012.05.002 PG 9 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 987KM UT WOS:000307415800019 PM 22732392 ER PT J AU Burr, T Hamada, MS AF Burr, T. Hamada, Michael S. TI Simultaneous estimation of computer model parameters and model bias SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Computer model bias; Markov chain Monte Carlo; Model calibration ID VALIDATION AB Estimation of computer model parameters using field data is sometimes attempted in the presence of model bias. In this paper, using simulated field data, a vector-valued model bias is fit simultaneously with a scalar model calibration parameter. Our main finding is that simultaneous estimation of a bias vector and a scalar calibration parameter can be sensitive to assumptions made prior to data collection. Possible implications of this finding are considered in two examples of process monitoring for nuclear safeguards. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Burr, T.; Hamada, Michael S.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. RP Burr, T (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Mail Stop F600, Los Alamos, NM 87545 USA. EM tburr@lanl.gov NR 22 TC 4 Z9 5 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2012 VL 70 IS 8 BP 1675 EP 1684 DI 10.1016/j.apradiso.2012.04.019 PG 10 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 987KM UT WOS:000307415800034 PM 22738845 ER PT J AU Wang, YG Hopke, PK Xia, XY Rattigan, OV Chalupa, DC Utell, MJ AF Wang, Yungang Hopke, Philip K. Xia, Xiaoyan Rattigan, Oliver V. Chalupa, David C. Utell, Mark J. TI Source apportionment of airborne particulate matter using inorganic and organic species as tracers SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Source apportionment; Positive matrix factorization (PMF); Particulate matter (PM); Molecular markers (MM); Aethalometer Delta-C ID POSITIVE MATRIX FACTORIZATION; UNITED-STATES; PARTICLES; AEROSOL; PM2.5; POLLUTANTS; ULTRAFINE; CARBON AB Source apportionment is typically performed on chemical composition data derived from particulate matter (PM) samples. However, many common sources no longer emit significant amounts of characteristic trace elements requiring the use of more comprehensive chemical characterization in order to fully resolve the PM sources. Positive matrix factorization (EPA PMF, version 4.1) was used to analyze 24-hr integrated molecular marker (MM), secondary inorganic ions, trace elements, carbonaceous species and light absorption data to investigate sources of PM2.5 in Rochester, New York between October 2009 and October 2010 to explore the role of specific MMs. An eight-factor solution was found for which the factors were identified as isoprene secondary organic aerosol (SOA), airborne soil, other SOA, diesel emissions, secondary sulfate, wood combustion, gasoline vehicle, and secondary nitrate contributing 6.9%, 12.8%, 3.7%, 7.8%, 45.5%, 9.1%, 7.9%, and 6.3% to the average PM2.5 concentration, respectively Concentrations of pentacosane, hexacosane, heptacosane, and octacosane in the gasoline vehicles factor were larger compared to diesel emissions. Aethalometer Delta-C was strongly associated with wood combustion. The compounds, n-heptacosanoic acid and n-octacosanoic acid, occasionally used in the past as tracers for road dust, were found to largely associate with SOA in this study. In comparison with a standard PMF analyses without MM, inclusion of them was necessary to resolve SOA and wood combustion factors in urban areas. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Hopke, Philip K.; Xia, Xiaoyan] Clarkson Univ, Ctr Air Resource Engn & Sci, Potsdam, NY 13699 USA. [Wang, Yungang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Rattigan, Oliver V.] New York State Dept Environm Conservat, Div Air Resources, Albany, NY 12233 USA. [Chalupa, David C.; Utell, Mark J.] Univ Rochester, Med Ctr, Dept Med, Rochester, NY 14642 USA. [Chalupa, David C.; Utell, Mark J.] Univ Rochester, Med Ctr, Dept Environm Med, Rochester, NY 14642 USA. RP Hopke, PK (reprint author), Clarkson Univ, Ctr Air Resource Engn & Sci, Potsdam, NY 13699 USA. EM hopkepk@clarkson.edu RI Wang, Linden/M-6617-2014; Hopke, Philip/C-6020-2008 OI Hopke, Philip/0000-0003-2367-9661 FU New York State Energy Research and Development Authority (NYSERDA) [8650, 10604]; United States Environmental Protection Agency (EPA) through Science to Achieve Results (STAR) Grant [RD83241501]; U.S. Environmental Protection Agency [X-83232501-0]; Electric Power Research Institute [W06325]; EPA FX This work was supported by the New York State Energy Research and Development Authority (NYSERDA) through Contracts 8650 and 10604, the United States Environmental Protection Agency (EPA) through Science to Achieve Results (STAR) Grant RD83241501, a Syracuse Center of Excellence CARTI project award, which is supported by a grant from the U.S. Environmental Protection Agency [Award No: X-83232501-0], and the Electric Power Research Institute under Agreement W06325. Although the research described in this article has been funded in part by the EPA, it has not been subjected to the Agency's required peer and policy review and therefore, does not necessarily reflect the views of the Agency and no official endorsement should be inferred. We would like to thank Dr. Yuanxun Zhang for his help with instrument installation. NR 30 TC 21 Z9 26 U1 5 U2 65 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2012 VL 55 BP 525 EP 532 DI 10.1016/j.atmosenv.2012.03.073 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 980CE UT WOS:000306870400066 ER PT J AU Baker, GE Stevens, JL Xu, HM AF Baker, G. Eli Stevens, Jeffry L. Xu, Heming TI Explosion Shear-Wave Generation in High-Velocity Source Media SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID UNDERGROUND NUCLEAR-EXPLOSIONS; NEVADA TEST-SITE; TELESEISMIC-P-CODA; LG-WAVES; EAST KAZAKHSTAN; SPECTRAL RATIOS; RG SCATTERING; YIELD; DISCRIMINANT; 3-COMPONENT AB We evaluate the mechanisms responsible for generation of shear waves by explosions in high-velocity source media by identifying, quantifying, and modeling observations that can distinguish between commonly suggested mechanisms. We review the literature to identify regional observations that have been or can be used to distinguish between two or more mechanisms. We supplement these historical observations with new measurements of the Semipalatinsk test site (STS) event Lg and P amplitudes at Borovoye and model the observations with nonlinear source models, Rg-to-Lg upper bound calculations, and wavenumber integration synthetic seismograms for point explosions and CLVDs. Direct generation of shear waves by the nonspherical component of the source volume is consistent with the regional Lg amplitude versus yield relationship, while S* and Rg-to-Lg scattering are not. We also analyze and model a large set of Degelen explosion records from approximately 10 to 90 km. The local Sg spectral corner frequency is lower than the Pg corner frequency by approximately the source P-to-S velocity ratio, which is consistent with shear waves directly generated by the source, and inconsistent with Sg being the result of pS, S*, or Rg-to-Lg scattering. The local Sg and Rg spectra are distinctly different. Taken together, results from previous work and new observations presented here support the conclusion that explosions in high-velocity source media dominantly generate shear waves directly, through the nonspherical part of the nonlinearly deforming source volume. C1 [Baker, G. Eli] USAF, Res Lab, RVBYE, Kirtland AFB, NM 87117 USA. [Stevens, Jeffry L.] Sci Applicat Int Corp, San Diego, CA 92121 USA. [Xu, Heming] Lawrence Livermore Natl Lab, Div Energy, Livermore, CA 94550 USA. RP Baker, GE (reprint author), USAF, Res Lab, RVBYE, 3550 Aberdeen St NE, Kirtland AFB, NM 87117 USA. RI Xu, Heming/H-6286-2012 FU Air Force Research Laboratory, Air Force Materiel Command [AFRL-VS-HA-TR-2007-0000]; Air Force Materiel Command [AFRL-VS-HA-TR-2007-0000] FX Seismic records used in this work were delivered by Science Applications International Corporation to the Electronic Systems Center, Air Force Materiel Command under Contract No. AFRL-VS-HA-TR-2007-0000 for use by the monitoring community as described by Stevens et al. (2007). The data may be obtained by request from the author.; This work was supported by the Air Force Research Laboratory, Air Force Materiel Command contract number AFRL-VS-HA-TR-2007-0000. NR 70 TC 4 Z9 4 U1 0 U2 3 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2012 VL 102 IS 4 BP 1301 EP 1319 DI 10.1785/0120110119 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 985OU UT WOS:000307277100002 ER PT J AU Baker, GE Stevens, JL Xu, HM AF Baker, G. Eli Stevens, Jeffry L. Xu, Heming TI Explosion Shear-Wave Generation in Low-Velocity Source Media SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID UNDERGROUND NUCLEAR-EXPLOSIONS; SPECTRAL RATIOS; TELESEISMIC-P; EAST KAZAKH; TEST SITES; LG; DISCRIMINANT; NTS; RG; SCATTERING AB This paper investigates which mechanism of Lg generation dominates in low-velocity source media, which is important because of the central role of Lg in discrimination and yield estimation of nuclear explosions. The mechanisms investigated are surface P-to-S conversion (pS), generation directly by the nonspherical component of the explosion source volume, and Rg-to-S scattering. We identify and quantify observations that distinguish between mechanisms. We also specifically test the assumptions of previous work that concluded that Rg scattering is the dominant mechanism. To do so, we analyze and simulate records of adjacent, normally buried and overburied Nevada test site (NTS) explosions, and analyze deep seismic sounding (DSS) explosion Quartz 3 data. The data analyses and simulations consistently indicate that pS is the dominant source of explosion Lg in low-velocity source media, that nonspherical source components could also contribute significantly to Lg, and that scattered Rg contributes less, except possibly at very low frequencies. For NTS overburied versus normally buried explosions, we compare Lg-to-Pg spectral ratios, corner frequencies, and tangential versus vertical and radial Lg spectral nulls. We perform simulations for the NTS to compare the contributions to Lg of pS, direct S from a CLVD, and scattered Rg. Quartz 3 data show that Rg spectral nulls vary with azimuth and differ from corresponding Sg and Lg spectral nulls, counter to assumptions required by the Rg scattering hypothesis. C1 [Baker, G. Eli] USAF, Res Lab, RVBYE, Kirtland AFB, NM 87117 USA. [Stevens, Jeffry L.] Sci Applicat Int Corp, San Diego, CA 92121 USA. [Xu, Heming] Lawrence Livermore Natl Lab, Comp Applicat & Res Dept, Computat Directorate, Livermore, CA 94551 USA. RP Baker, GE (reprint author), USAF, Res Lab, RVBYE, 3550 Aberdeen St NE, Kirtland AFB, NM 87117 USA. RI Xu, Heming/H-6286-2012 FU Force Research Laboratory, Air Force Materiel Command [AFRL-VS-HA-TR-2007-0000]; National Science Foundation; GEO Directorate through the Instrumentation and Facilities Program of the National Science Foundation [EAR-0004370] FX The facilities of the IRIS Data Management System, and specifically the IRIS Data Management Center, were used for access to DSS waveform and metadata required in this study. The IRIS DMS is funded through the National Science Foundation and specifically the GEO Directorate through the Instrumentation and Facilities Program of the National Science Foundation under Cooperative Agreement EAR-0004370. NTS explosion waveform data used in this study were assembled by Lawrence Livermore National Laboratory and are available on CD-ROM upon request (Walter et al., 2004).; This work was supported by the Air Force Research Laboratory, Air Force Materiel Command contract number AFRL-VS-HA-TR-2007-0000. We appreciate the thoughtful reviews provided by Chandan Saikia and an anonymous reviewer. NR 23 TC 4 Z9 4 U1 1 U2 5 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2012 VL 102 IS 4 BP 1320 EP 1334 DI 10.1785/0120110165 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 985OU UT WOS:000307277100003 ER PT J AU Schramm, KA Abbott, RE Asten, M Bilek, S Pancha, A Patton, HJ AF Schramm, Kimberly A. Abbott, Robert E. Asten, Michael Bilek, Susan Pancha, Aasha Patton, Howard J. TI Broadband Rayleigh-Wave Dispersion Curve and Shear-Wave Velocity Structure for Yucca Flat, Nevada SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID MODAL ENERGY-CONSERVATION; JEFFRY L. STEVENS; G. ELI BAKER; HEMING XU; EXPLOSIONS; BASIN; RG AB The geology near a seismic source has a major effect on seismic waves recorded at distance. This can be especially true in the case of man-made explosions, due to increased geologic heterogeneity at shallow depths and interactions with the free surface. Yucca Flat (YF), a sedimentary basin on the Nevada National Security Site, has hosted hundreds of well-recorded underground nuclear tests. As such, it should be an ideal natural laboratory for the study of shallow explosions. Unfortunately, basin-wide models of such important physical properties as compressive- and shear-wave velocity are not available with sufficient fidelity to maximize the potential of the studies. We attempt to remedy this situation by creating a new shear-wave velocity model of YF. This model was generated by inverting Rayleigh-wave phase-velocity dispersion measurements. Because no single dataset provided a dispersion curve of the necessary frequency bandwidth for shallow, intermediate, and deep basin depths simultaneously, we combined three dispersion curves with complementary bandwidths from three data sources. The datasets, in order of low frequency to high, were (1) underground nuclear tests at YF, recorded on regional seismic networks (0.14-0.4 Hz); (2) a multimode spatially averaged coherency microtremor array located on YF (0.2-20 Hz); and (3) several refraction microtremor (ReMi) linear arrays, also on YF (2.5-50 Hz). Compared to previous work, our model is characterized by slower velocities. The known geologic boundaries such as the depth of the basin and water table are prominent at reasonable locations. C1 [Schramm, Kimberly A.] New Mexico Inst Min & Technol, Albuquerque, NM 87112 USA. [Abbott, Robert E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Asten, Michael] Monash Univ, Melbourne, Vic 3800, Australia. [Bilek, Susan] New Mexico Inst Min & Technol, Socorro, NM 87801 USA. [Pancha, Aasha] OptimSDS, Reno, NV 89501 USA. [Patton, Howard J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Schramm, KA (reprint author), New Mexico Inst Min & Technol, Albuquerque, NM 87112 USA. EM kschramm@gmail.com; reabbot@sandia.gov; michael.asten@sci.monash.edu.au; sbilek@ees.nmt.edu; aashap@optimsds.com OI asten, Michael/0000-0001-5511-2104 FU Los Alamos National Laboratory through the LANL-NMT MOU program; Department of Energy [DE-AC52-06BA25396]; U.S. Department of Energy [DE-AC04-94AL85000] FX We would like to thank Bob White and Ryan Emmitt from National Security Technologies for data collection and Terri Hauk at LLNL for help with UGT data. Funding for the UGT data processing was provided by Los Alamos National Laboratory through the LANL-NMT MOU program. Howard J. Patton performed the work in this paper under the auspices of the Department of Energy for the Los Alamos National Laboratory under contract DE-AC52-06BA25396. SNL is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC04-94AL85000. NR 24 TC 2 Z9 2 U1 2 U2 9 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2012 VL 102 IS 4 BP 1361 EP 1372 DI 10.1785/0120110296 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 985OU UT WOS:000307277100006 ER PT J AU Patton, HJ AF Patton, Howard J. TI Modeling M-s-Yield Scaling of Nevada Test Site Nuclear Explosions for Constraints on Volumetric Moment due to Source-Medium Damage SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID SILENT-CANYON CALDERA; SURFACE-WAVES; UNDERGROUND EXPLOSIONS; RAYLEIGH-WAVES; PAHUTE MESA; DETONATIONS; RELEASE; PERIOD AB The precision of M-s-yield-scaling results is exploited to place tighter constraints on the volumetric moment due to source-medium damage than previously estimated for Pahute Mesa explosions on the Nevada Test Site (NTS). Results for two coupling scenarios, one based on P waves to set a lower bound and one based on Rayleigh waves to set an upper bound, bracket the predictions of a model based on moment tensor theory for an explosion monopole and the accompanying damage. This study confirms that the apparent explosion moment M-I is a consequence of direct effects of the energy release with a volumetric moment M-t due to cavity formation and the effects due to source-medium damage. The source model predicts that M-I = M-t(K + 2)/3, where K is a damage index and a value of 1 means no permanent deformation due to damage. Excess moment due to dilation of the source medium (K > 1) is quantified and shown to be a factor increasing the apparent yield (W) scaling of M-s from 0.80 log[W] for a pure explosion with cube-root containment practice and uniform coupling to similar to 1.0 log[W], a scaling commonly accepted by the explosion community. Scaling observations are related to the source model by establishing the equivalence between network M-s and the theoretical Rayleigh-wave radiation for an azimuthal-independent source component. This equivalence motivates a physical basis for transporting observations to other test sites. Transported M-s scaling results for NTS indicate that damage is a more important source of Rayleigh waves for Balapan explosions, most likely due to better energy coupling of upgoing shock waves and stronger free-surface interactions than for NTS explosions. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Patton, HJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM patton@lanl.gov FU Department of Energy [DE-AC52-06BA25396] FX Thanks to Sean Ford of Lawrence Livermore National Laboratory for a helpful review and for taking the time for subsequent personal communications on ways to improve the manuscript and to Jonathan Maccarthy of Los Alamos National Laboratory for a review of the manuscript before it was submitted to BSSA. Also thanks to Neil Selby of Blacknest for providing Ms values well in advance of publication of Selby et al. (2012). The work in this article was performed under the auspices of the Department of Energy for the Los Alamos National Laboratory under contract DE-AC52-06BA25396. NR 42 TC 8 Z9 8 U1 0 U2 5 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2012 VL 102 IS 4 BP 1373 EP 1387 DI 10.1785/0120110302 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 985OU UT WOS:000307277100007 ER PT J AU Blakely, RJ Sherrod, BL Weaver, CS Rohay, AC Wells, RE AF Blakely, Richard J. Sherrod, Brian L. Weaver, Craig S. Rohay, Alan C. Wells, Ray E. TI Tectonic Setting of the Wooded Island Earthquake Swarm, Eastern Washington SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID LATE QUATERNARY DEFORMATION; LATE HOLOCENE EARTHQUAKES; SOUTH-CENTRAL WASHINGTON; NORTHERN PUGET LOWLAND; FORE-ARC; CASCADIA; FAULT; SEISMICITY; OREGON; BASIN AB Magnetic anomalies provide insights into the tectonic implications of a swarm of similar to 1500 shallow (similar to 1 km deep) earthquakes that occurred in 2009 on the Hanford site, Washington. Epicenters were concentrated in a 2 km(2) area near Wooded Island in the Columbia River. The largest earthquake (M 3.0) had first motions consistent with slip on a northwest-striking reverse fault. The swarm was accompanied by 35 mm of vertical surface deformation, seen in satellite interferometry (InSAR), interpreted to be caused by similar to 50 mm of slip on a northwest-striking reverse fault and associated bedding-plane fault in the underlying Columbia River Basalt Group (CRBG). A magnetic anomaly over exposed CRBG at Yakima Ridge 40 km northwest of Wooded Island extends southeastward beyond the ridge to the Columbia River, suggesting that the Yakima Ridge anticline and its associated thrust fault extend southeastward in the subsurface. In map view, the concealed anticline passes through the earthquake swarm and lies parallel to reverse faults determined from first motions and InSAR data. A forward model of the magnetic anomaly near Wooded Island is consistent with uplift of concealed CRBG, with the top surface <200 m below the surface. The earthquake swarm and the thrust and bedding-plane faults modeled from interferometry all fall within the northeastern limb of the faulted anticline. Although fluids may be responsible for triggering the Wooded Island earthquake swarm, the seismic and aseismic deformation are consistent with regional-scale tectonic compression across the concealed Yakima Ridge anticline. C1 [Blakely, Richard J.; Wells, Ray E.] US Geol Survey, Menlo Pk, CA 94025 USA. [Sherrod, Brian L.; Weaver, Craig S.] Univ Washington, US Geol Survey, Seattle, WA 98195 USA. [Rohay, Alan C.] Pacific NW Natl Lab, Environm Characterizat & Risk Assessment Grp, Richland, WA 99352 USA. RP Blakely, RJ (reprint author), US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA. NR 30 TC 2 Z9 3 U1 0 U2 2 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2012 VL 102 IS 4 BP 1786 EP 1795 DI 10.1785/0120110189 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 985OU UT WOS:000307277100034 ER PT J AU Xantheas, SS AF Xantheas, Sotiris S. TI Low-lying energy isomers and global minima of aqueous nanoclusters: Structures and spectroscopic features of the pentagonal dodecahedron (H2O)(20) and (H3O)+(H2O)(20) SO CANADIAN JOURNAL OF CHEMICAL ENGINEERING LA English DT Article DE modelling and simulation studies ID POLYHEDRAL WATER CLUSTERS; TRANSFERABLE INTERACTION MODELS; ION CLATHRATE STRUCTURES; GAUSSIAN-BASIS SETS; AB-INITIO; EMPIRICAL POTENTIALS; ENHANCED STABILITY; 1ST PRINCIPLES; ICE IH; HYDROGEN AB We rely on a hierarchical approach to identify the low-lying isomers and corresponding global minima of the pentagonal dodecahedron (H2O)20 and the H3O+(H2O)20 nanoclusters. Initial screening of the isomers is performed using classical interaction potentials, namely the Transferable Interaction 4-site Potential (TIP4P), the Thole-Type Flexible Model, versions 2.0 (TTM2-F) and 2.1 (TTM2.1-F) for (H2O)20 and the Anisotropic Site Potential (ASP) for H3O+(H2O)20. The nano-networks obtained with those potentials were subsequently refined at the density functional theory (DFT) with the Becke-3-parameter LeeYangParr (B3LYP) functional and at the second order MollerPlesset perturbation (MP2) levels of theory. For the pentagonal dodecahedron (H2O)20 it was found that DFT (B3LYP) and MP2 produced the same global minimum. However, this was not the case for the H3O+(H2O)20 cluster, for which MP2 produced a different network for the global minimum when compared to DFT (B3LYP). The low-lying networks of H3O+(H2O)20 correspond to structures having 9 free OH bonds and the hydronium ion on the surface of the nanocluster. The IR spectra of the various networks are further analysed in the OH stretching (fingerprint) region and the various bands are assigned to structural arrangements of the underlying hydrogen bonding network. (C) 2012 Canadian Society for Chemical Engineering C1 Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Xantheas, SS (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, 902 Battelle Blvd,POB 999,MS K1-83, Richland, WA 99352 USA. EM sotiris.xantheas@pnnl.gov RI Xantheas, Sotiris/L-1239-2015; OI Xantheas, Sotiris/0000-0002-6303-1037 FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy; Department of Energy's Office of Biological and Environmental Research FX This work was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy. Battelle operates the Pacific Northwest National Laboratory for the US Department of Energy. This research was performed in part using the Molecular Science Computing Facility (MSCF) in the William R. Wiley Environmental Molecular Sciences Laboratory, 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. Computer resources at the National Energy Research Scientific Computer Center (NERSC) were provided by the Division of Chemical Sciences, Geosciences and Biosciences, US Department of Energy. NR 56 TC 19 Z9 19 U1 1 U2 15 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0008-4034 EI 1939-019X J9 CAN J CHEM ENG JI Can. J. Chem. Eng. PD AUG PY 2012 VL 90 IS 4 BP 843 EP 851 DI 10.1002/cjce.21645 PG 9 WC Engineering, Chemical SC Engineering GA 968OZ UT WOS:000305994200006 ER PT J AU Ansoborlo, E Berard, P Den Auwer, C Leggett, R Menetrier, F Younes, A Montavon, G Moisy, P AF Ansoborlo, Eric Berard, Philippe Den Auwer, Christophe Leggett, Rich Menetrier, Florence Younes, Ali Montavon, Gilles Moisy, Philippe TI Review of Chemical and Radiotoxicological Properties of Polonium for Internal Contamination Purposes SO CHEMICAL RESEARCH IN TOXICOLOGY LA English DT Review ID SOLVENT-EXTRACTION; TRACER CONCENTRATION; CHLORIDE SOLUTIONS; CHELATING-AGENTS; ALPHA-PARTICLES; CIGARETTE-SMOKE; PO-210; HYDROLYSIS; PB-210; WATER AB The discovery of polonium (Po) was first published in July, 1898 by P. Curie and M. Curie. It was the first element to be discovered by the radiochemical method. Polonium can be considered as a famous but neglected element: only a few studies of polonium chemistry have been published, mostly between 1950 and 1990. The recent (2006) event in which Po-210 evidently was used as a poison to kill A. Litvinenko has raised new interest in polonium. 2011 being the 100th anniversary of the Marie Curie Nobel Prize in Chemistry, the aim of this review is to look at the several aspects of polonium linked to its chemical properties and its radiotoxicity, including (i) its radiochemistry and interaction with matter; (ii) its main sources and uses; (iii) its physicochemical properties; (iv) its main analytical methods; (v) its background exposure risk in water, food, and other environmental media; (vi) its biokinetics and distribution following inhalation, ingestion, and wound contamination; (vii) its dosimetry; and (viii) treatments available (decorporation) in case of internal contamination. C1 [Ansoborlo, Eric; Den Auwer, Christophe; Moisy, Philippe] Commissariat Energie Atom, Direct Energie Nucl, Dept Radiochim Proc, F-30207 Bagnols Sur Ceze, France. [Berard, Philippe; Menetrier, Florence] PROSITON, Direct Sci Vivant, Commissariat Energie Atom, F-92265 Fontenay Aux Roses, France. [Leggett, Rich] Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. [Younes, Ali; Montavon, Gilles] UMR Ecole Mines Nantes, Lab SUBATECH, F-44307 Nantes, France. RP Ansoborlo, E (reprint author), Commissariat Energie Atom, Direct Energie Nucl, Dept Radiochim Proc, BP 17171, F-30207 Bagnols Sur Ceze, France. EM eric.ansoborlo@cea.fr RI Eric, Ansoborlo/N-1809-2015; Moisy, Philippe/H-2477-2015 OI Eric, Ansoborlo/0000-0003-0523-3738; Moisy, Philippe/0000-0002-9331-0846 NR 106 TC 9 Z9 11 U1 2 U2 64 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0893-228X J9 CHEM RES TOXICOL JI Chem. Res. Toxicol. PD AUG PY 2012 VL 25 IS 8 BP 1551 EP 1564 DI 10.1021/tx300072w PG 14 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology SC Pharmacology & Pharmacy; Chemistry; Toxicology GA 990IS UT WOS:000307624800003 PM 22530998 ER PT J AU Larsson, M Niemi, A Tsang, CF AF Larsson, Martin Niemi, Auli Tsang, Chin-Fu TI An observed error in PMPATH particle tracking algorithm for MODFLOW in case of varying porosity and a proposed correction SO COMPUTERS & GEOSCIENCES LA English DT Article DE PMPATH; MODFLOW; Particle tracking; Groundwater; Solute transport; Channeling ID MODELS C1 [Larsson, Martin; Niemi, Auli; Tsang, Chin-Fu] Uppsala Univ, Dept Earth Sci, Uppsala, Sweden. [Tsang, Chin-Fu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Larsson, M (reprint author), Uppsala Univ, Dept Earth Sci, Uppsala, Sweden. EM martin.larsson@hyd.uu.se FU Swedish Research Council FORMAS [245-2006-1152]; JAEA-LBNL binational collaborative project under US Department of Energy [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory FX This work has been financed by the Swedish Research Council FORMAS (Grant 245-2006-1152), which is gratefully acknowledged. The third author would also like to acknowledge partial support of the JAEA-LBNL binational collaborative project under US Department of Energy Contract DE-AC02-05CH11231 with Lawrence Berkeley National Laboratory. NR 8 TC 0 Z9 0 U1 1 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD AUG PY 2012 VL 45 BP 1 EP 3 DI 10.1016/j.cageo.2012.03.001 PG 3 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA 978UK UT WOS:000306771100001 ER PT J AU Ronald, PC Shirasu, K AF Ronald, Pamela C. Shirasu, Ken TI Front-runners in plant-microbe interactions SO CURRENT OPINION IN PLANT BIOLOGY LA English DT Editorial Material ID RESISTANCE; DISEASE C1 [Ronald, Pamela C.] Univ Calif Davis, Plant Pathol Fac, Genome Ctr, Davis, CA 95616 USA. [Ronald, Pamela C.] Joint Bioenergy Inst, Emeryville, CA 94608 USA. [Shirasu, Ken] RIKEN Plant Sci Ctr, Plant Immun Res Grp, Tsurumi Ku, Yokohama, Kanagawa 2300045, Japan. RP Ronald, PC (reprint author), Univ Calif Davis, Plant Pathol Fac, Genome Ctr, Davis, CA 95616 USA. EM pcronald@ucdavis.edu RI Shirasu, Ken/A-4455-2010 OI Shirasu, Ken/0000-0002-0349-3870 NR 4 TC 3 Z9 5 U1 0 U2 13 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5266 J9 CURR OPIN PLANT BIOL JI Curr. Opin. Plant Biol. PD AUG PY 2012 VL 15 IS 4 BP 345 EP 348 DI 10.1016/j.pbi.2012.06.001 PG 4 WC Plant Sciences SC Plant Sciences GA 996AE UT WOS:000308055600001 PM 22795570 ER PT J AU Thompson, LH AF Thompson, Larry H. TI Losing and finding myself in DNA repair SO DNA REPAIR LA English DT Editorial Material ID SISTER-CHROMATID EXCHANGE; CHINESE-HAMSTER CELLS; VIDEO TIME-LAPSE; RAY-SENSITIVE MUTANTS; STRAND-BREAK REPAIR; SOMATIC MAMMALIAN CELLS; PIGMENTOSUM GROUP-D; MOUSE L-CELLS; TRANSFER RNA-SYNTHETASES; FANCONI-ANEMIA PATHWAY C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA 94551 USA. RP Thompson, LH (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Div, L452,POB 808, Livermore, CA 94551 USA. EM thompson14ster@Gmail.com FU NCI NIH HHS [R01CA112566] NR 120 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD AUG 1 PY 2012 VL 11 IS 8 BP 637 EP 648 DI 10.1016/j.dnarep.2011.10.005 PG 12 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 988ZN UT WOS:000307530100001 PM 23012750 ER PT J AU Thomas, SN Waters, KM Morgan, WF Yang, AJ Baulch, JE AF Thomas, Stefani N. Waters, Katrina M. Morgan, William F. Yang, Austin J. Baulch, Janet E. TI Quantitative proteomic analysis of mitochondrial proteins reveals prosurvival mechanisms in the perpetuation of radiation-induced genomic instability SO FREE RADICAL BIOLOGY AND MEDICINE LA English DT Article DE Mitochondria; Quantitative mass spectrometry; Proteomics; Genomic instability; Epigenetics; miR; Free radicals ID FREE-FLOW ELECTROPHORESIS; UNSTABLE CELL-LINES; PERSISTENT OXIDATIVE STRESS; CHROMOSOMAL INSTABILITY; IONIZING-RADIATION; MASS-SPECTROMETRY; APOPTOSIS; DEHYDROGENASE; PHOSPHORYLATION; IRRADIATION AB Radiation-induced genomic instability is a well-studied phenomenon that is measured as mitotically heritable genetic alterations observed in the progeny of an irradiated cell. The mechanisms that perpetuate this instability are unclear; however, a role for chronic oxidative stress has consistently been demonstrated. In the chromosomally unstable LS12 cell line, oxidative stress and genomic instability were correlated with mitochondrial dysfunction. To clarify this mitochondrial dysfunction and gain insight into the mechanisms underlying radiation-induced genomic instability we have evaluated the mitochondrial subproteome and performed quantitative mass spectrometry analysis of LS12 cells. Of 98 quantified mitochondrial proteins, 17 met criteria for fold changes and reproducibility; and 11 were statistically significant in comparison with the stable parental GM10115 cell line. Previous observations implicated defects in the electron transport chain (ETC) in the LS12 cell mitochondrial dysfunction. Proteomic analysis supports these observations, demonstrating significantly reduced levels of mitochondrial cytochrome c, the intermediary between complexes III and IV of the ETC. Results also suggest that LS12 cells compensate for ETC dysfunction and oxidative stress through increased levels of tricarboxylic acid cycle enzymes and upregulation of proteins that protect against oxidative stress and apoptosis. More than one cellular defect is likely to contribute to the genomic instability phenotype, and evaluation of gene and microRNA expression suggests that epigenetics play a role in the phenotype. These data suggest that LS12 cells have adapted mechanisms that allow survival under suboptimal conditions of oxidative stress and compromised mitochondrial function to perpetuate genomic instability. (C) 2012 Elsevier Inc. All rights reserved. C1 [Thomas, Stefani N.; Baulch, Janet E.] Univ Maryland, Radiat Oncol Res Lab, Dept Radiat Oncol, Baltimore, MD 21201 USA. [Thomas, Stefani N.; Yang, Austin J.] Univ Maryland, Greenebaum Canc Ctr, Baltimore, MD 21201 USA. [Waters, Katrina M.; Morgan, William F.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. [Yang, Austin J.] Univ Maryland, Dept Anat & Neurobiol, Baltimore, MD 21201 USA. [Thomas, Stefani N.] Johns Hopkins Univ, Dept Pharmacol & Mol Sci, Baltimore, MD 21205 USA. RP Baulch, JE (reprint author), Univ Maryland, Radiat Oncol Res Lab, Dept Radiat Oncol, Baltimore, MD 21201 USA. EM ayang@som.umaryland.edu; jbaulch@som.umaryland.edu FU Department of Energy [DE-FG02-07ER64339]; NASA [NNX07AT42G]; NIH [R01AG25323, P30CA134274]; Battelle Memorial Institute, Pacific Northwest Division [DE-AC05-76RL0 1830]; U.S. Department of Energy, Office of Biological and Environmental Research Low Dose Science Program FX We are grateful to Dr. Umut Aypar for his scientific and intellectual input. This work was supported by Department of Energy Low Dose Program Glue Grant DE-FG02-07ER64339 (W.F.M./J.E.B.), NASA Grant NNX07AT42G (J.E.B.), NIH R01AG25323 (A.J.Y.), and NIH P30CA134274 (Greenebaum Cancer Center Support Grant) as well as by Battelle Memorial Institute, Pacific Northwest Division, under Contract DE-AC05-76RL0 1830 with the U.S. Department of Energy, Office of Biological and Environmental Research Low Dose Science Program. 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 article, or allow others to do so, for U.S. Government purposes. NR 44 TC 9 Z9 9 U1 1 U2 10 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0891-5849 J9 FREE RADICAL BIO MED JI Free Radic. Biol. Med. PD AUG 1 PY 2012 VL 53 IS 3 BP 618 EP 628 DI 10.1016/j.freeradbiomed.2012.03.025 PG 11 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism SC Biochemistry & Molecular Biology; Endocrinology & Metabolism GA 986DP UT WOS:000307321500023 PM 22569412 ER PT J AU Grubman, MJ Segundo, FDS Dias, CCA Moraes, MP Perez-Martin, E de los Santos, T AF Grubman, Marvin J. Segundo, Fayna Diaz-San Dias, Camila C. A. Moraes, Mauro P. Perez-Martin, Eva de los Santos, Teresa TI Use of replication-defective adenoviruses to develop vaccines and biotherapeutics against foot-and-mouth disease SO FUTURE VIROLOGY LA English DT Review DE foot-and-mouth disease; interferon; replication-defective human adenovirus; vaccine ID NONSTRUCTURAL PROTEIN 2B; VIRUS SUBUNIT VACCINE; HOST IMMUNE-RESPONSE; TOLL-LIKE RECEPTORS; T-CELL RESPONSE; ANTIVIRAL ACTIVITY; INTERFERON-ALPHA; III INTERFERON; MESSENGER-RNA; FMDV PEPTIDES AB We have developed a replication-defective human adenovirus (Ad5) vectored foot-and-mouth disease (FMD) vaccine platform that protects both swine and cattle from subsequent challenge with homologous virus after a single immunization. This Ad5-FMD vaccine has undergone testing following the requirements of the Center for Veterinary Biologics of the Animal Plant and Health Inspection Service, US Department of Agriculture, and has recently been granted a conditional license for inclusion of the vaccine in the US National Veterinary Vaccine Stockpile. In this review, we will describe the approaches we have taken to improve the potency and efficacy of this vaccine platform. Furthermore, we will discuss the development of Ad5 vector-based biotherapeutics to generate rapid protection against FMD virus prior to vaccine-induced adaptive immunity and describe the use of a combination of these approaches to stimulate both fast and long-lasting immunity. C1 [Grubman, Marvin J.; Segundo, Fayna Diaz-San; Dias, Camila C. A.; Moraes, Mauro P.; Perez-Martin, Eva; de los Santos, Teresa] ARS, Plum Isl Anim Dis Ctr, N Atlantic Area, USDA, Greenport, NY 11944 USA. [Dias, Camila C. A.; Perez-Martin, Eva] Oak Ridge Inst Sci & Educ, PIADC Res Participat Program, Oak Ridge, TN 37831 USA. [Moraes, Mauro P.] Univ Connecticut, Dept Pathobiol & Vet Sci, Storrs, CT 06269 USA. [Moraes, Mauro P.] Ceva Biomune, Shawnee Mission, KS 66215 USA. RP Grubman, MJ (reprint author), ARS, Plum Isl Anim Dis Ctr, N Atlantic Area, USDA, Greenport, NY 11944 USA. FU CRIS [1940-32000-053-00D]; ARS; USDA through Science and Technology Directorate of the US Department of Homeland Security [HSHQPD-07-X-00003, HSHQDC-09-X-00373, HSHQDC-11-X-00189]; USDA through National Pork Board [11-005, 12-023] FX This research was supported in part by CRIS project number 1940-32000-053-00D, ARS, USDA (T de los Santos and MJ Grubman), grants through an interagency agreement with the Science and Technology Directorate of the US Department of Homeland Security under the Award Numbers HSHQPD-07-X-00003, HSHQDC-09-X-00373, HSHQDC-09-X-00373 and HSHQDC-11-X-00189 (T de los Santos and MJ Grubman) and through National Pork Board Grants #11-005 and #12-023 (T de los Santos, F Diaz-San Segundo and MJ Grubman). The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed. NR 84 TC 7 Z9 7 U1 0 U2 6 PU FUTURE MEDICINE LTD PI LONDON PA UNITEC HOUSE, 3RD FLOOR, 2 ALBERT PLACE, FINCHLEY CENTRAL, LONDON, N3 1QB, ENGLAND SN 1746-0794 J9 FUTURE VIROL JI Future Virol. PD AUG PY 2012 VL 7 IS 8 BP 767 EP 778 DI 10.2217/FVL.12.65 PG 12 WC Virology SC Virology GA 986DR UT WOS:000307321700009 ER PT J AU Watkins, JM Manga, M DePaolo, DJ AF Watkins, James M. Manga, Michael DePaolo, Donald J. TI Bubble geobarometry: A record of pressure changes, degassing, and regassing at Mono Craters, California SO GEOLOGY LA English DT Article ID CARBON-DIOXIDE; AD ERUPTION; GROWTH; MAGMAS; FRAGMENTATION; VOLCANISM; DYNAMICS; GLASSES; MELTS; MODEL AB Water concentration profiles around bubbles offer a new kind of geobarometer. We measure H2O and CO2 concentrations in glass adjacent to bubbles in pyroclastic obsidian from Mono Craters, California (United States). H2O and CO2 concentration gradients are preserved during the eruption and record nonequilibrium degassing. A key result is that H2O is enriched in the glass surrounding the bubbles, indicating that bubbles were resorbing into the melt just prior to the eruption. The required pressure increase for the observed water enrichment is inferred to be the last in a series of pressure cycles with amplitude 5-30 MPa that are caused by repeated fragmentation and annealing. CO2 concentrations vary substantially in individual obsidian clasts, suggesting that slow diffusion of CO2 and nonequilibrium degassing contributes to high CO2/H2O ratios in pyroclastic obsidian from Mono Craters. These data are direct evidence for vapor-melt disequilibrium and demonstrate that degassing paths from a single parental melt need not be unidirectional. Hence volatile concentration gradients offer a tool for evaluating degassing models and inferring time scales of magmatic processes. C1 [Watkins, James M.; Manga, Michael; DePaolo, Donald J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [DePaolo, Donald J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Watkins, JM (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. EM jwatkins@berkeley.edu RI Manga, Michael/D-3847-2013; OI Manga, Michael/0000-0003-3286-4682 FU National Science Foundation [EAR-1049662, EAR-1050000]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by National Science Foundation grants EAR-1049662 and EAR-1050000. We benefited from discussions with A. Thomas, C. Huber, W. DeGruyter, and K. Cashman, and insightful reviews from P. Wallace and three anonymous reviewers. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 24 TC 20 Z9 20 U1 1 U2 19 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 AUG PY 2012 VL 40 IS 8 BP 699 EP 702 DI 10.1130/G33027.1 PG 4 WC Geology SC Geology GA 983CF UT WOS:000307093100007 ER PT J AU Hinojosa, JL Brown, ST Chen, J DePaolo, DJ Paytan, A Shen, SZ Payne, JL AF Hinojosa, Jessica L. Brown, Shaun T. Chen, Jun DePaolo, Donald J. Paytan, Adina Shen, Shu-zhong Payne, Jonathan L. TI Evidence for end-Permian ocean acidification from calcium isotopes in biogenic apatite SO GEOLOGY LA English DT Article ID GLOBAL STRATOTYPE SECTION; TRIASSIC BOUNDARY; MASS EXTINCTION; CHEMICAL EVOLUTION; SEAWATER; RECORD; FRACTIONATION; EVENTS; ANOXIA; CARBON AB End-Permian (ca. 252 Ma) carbon isotope, paleobiological, and sedimentary data suggest that changes in ocean carbonate chemistry were directly linked to the mass extinction of marine organisms. Calcium isotopes provide a geochemical means to constrain the nature of these changes. The delta Ca-44/40 of carbonate rocks from southern China exhibits a negative excursion across the end-Permian extinction horizon, consistent with either a negative shift in the delta Ca-44/40 of seawater or a change in the calcite/aragonite ratio of carbonate sediments at the time of deposition. To test between these possibilities, we measured the delta Ca-44/40 of hydroxyapatite conodont microfossils from the global stratotype section and point (GSSP) for the Permian-Triassic boundary at Meishan, China. The conodont delta Ca-44/40 record shows a negative excursion similar in stratigraphic position and magnitude to that previously observed in carbonate rocks. Parallel negative excursions in the delta Ca-44/40 of carbonate rocks and conodont microfossils cannot be accounted for by a change in carbonate mineralogy, but are consistent with a negative shift in the delta Ca-44/40 of seawater. Such a shift is best accounted for by an episode of ocean acidification, pointing toward strong similarities between the greatest catastrophe in the history of animal life and anticipated global change during the twenty-first century. C1 [Hinojosa, Jessica L.; Payne, Jonathan L.] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Brown, Shaun T.; DePaolo, Donald J.] EO Lawrence Berkeley Natl Lab, Div Earth Sci, Ctr Isotope Geochem, Berkeley, CA 94720 USA. [Chen, Jun] Guangzhou Inst Geochem, State Key Lab Isotope Geochem, Guangzhou 510640, Guangdong, Peoples R China. [DePaolo, Donald J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Paytan, Adina] Univ Calif Santa Cruz, Inst Marine Sci, Santa Cruz, CA 95064 USA. [Shen, Shu-zhong] Nanjing Inst Geol & Palaeontol, State Key Lab Palaeontol & Stratig, Nanjing 210008, Jiangsu, Peoples R China. RP Hinojosa, JL (reprint author), Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. EM jess.l.hinojosa@gmail.com RI Payne, Jonathan/A-1240-2007; Payne, Jonathan/B-8088-2012; Brown, Shaun/E-9398-2015; Shen, Shuzhong/D-8214-2011; CHEN, Jun/F-1708-2011; OI Payne, Jonathan/0000-0002-9601-3310; Brown, Shaun/0000-0002-2159-6718; Shen, Shuzhong/0000-0001-8380-0692; CHEN, Jun/0000-0003-3291-5400; Hinojosa, Jessica/0000-0002-8589-102X FU National Aeronautics and Space Administration [NNX09AN6767]; American Chemical Society Petroleum Research Fund [49237-ND8]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DEAC02-05CH11231]; National Natural Science Foundation of China; grant of the basic research program of Jiangsu Province [BK2010022] FX This work was supported by the National Aeronautics and Space Administration (NNX09AN6767 to Payne and Paytan); the American Chemical Society Petroleum Research Fund (49237-ND8 to Paytan); the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy (DEAC02-05CH11231 to Brown and DePaolo); the National Natural Science Foundation of China (Shen): and a grant of the basic research program of Jiangsu Province (BK2010022 to Shen). We thank A. Bachan, T. Hildreth, A. Jost, D. Lehrmann, K. Meyer, and E. Schaal for assistance with this project. NR 34 TC 40 Z9 42 U1 5 U2 68 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 J9 GEOLOGY JI Geology PD AUG PY 2012 VL 40 IS 8 BP 743 EP 746 DI 10.1130/G33048.1 PG 4 WC Geology SC Geology GA 983CF UT WOS:000307093100018 ER PT J AU Hu, ZB Gupta, J Zhang, ZW Gerseny, H Berg, A Chen, YJ Zhang, ZL Du, HY Brendler, CB Xiao, XH Pienta, KJ Guise, T Lee, C Stern, PH Stock, S Seth, P AF Hu, Zebin Gupta, Janhavi Zhang, Zhenwei Gerseny, Helen Berg, Arthur Chen, Yun Ju Zhang, Zhiling Du, Hongyan Brendler, Charles B. Xiao, Xianghui Pienta, Kenneth J. Guise, Theresa Lee, Chung Stern, Paula H. Stock, Stuart Seth, Prem TI Systemic Delivery of Oncolytic Adenoviruses Targeting Transforming Growth Factor-beta Inhibits Established Bone Metastasis in a Prostate Cancer Mouse Model SO HUMAN GENE THERAPY LA English DT Article ID TGF-BETA; GENE-THERAPY; BREAST-CANCER; CLINICAL-TRIAL; RECEPTOR-II; IN-VIVO; CELLS; EXPRESSION; STRATEGIES; PROGRESS AB We have examined whether Ad.sT beta RFc and TAd.sT beta RFc, two oncolytic viruses expressing soluble transforming growth factor-beta receptor II fused with human Fc (sTGF beta RIIFc), can be developed to treat bone metastasis of prostate cancer. Incubation of PC-3 and DU-145 prostate tumor cells with Ad.sT beta RFc and TAd.sT beta RFc produced sTGF beta RIIFc and viral replication; sTGF beta RIIFc caused inhibition of TGF-beta-mediated SMAD2 and SMAD3 phosphorylation. Ad(E1-).sT beta RFc, an E1(-) adenovirus, produced sTGF beta RIIFc but failed to replicate in tumor cells. To examine the antitumor response of adenoviral vectors, PC-3-luc cells were injected into the left heart ventricle of nude mice. On day 9, mice were subjected to whole-body bioluminescence imaging (BLI). Mice bearing hind-limb tumors were administered viral vectors via the tail vein on days 10, 13, and 17 (2.5 x 10(10) viral particles per injection per mouse, each injection in a 0.1-ml volume), and subjected to BLI and X-ray radiography weekly until day 53. Ad.sT beta RFc, TAd.sT beta RFc, and Ad(E1-).sT beta RFc caused significant inhibition of tumor growth; however, Ad.sT beta RFc was the most effective among all the vectors. Only Ad.sT beta RFc and TAd.sT beta RFc inhibited tumor-induced hypercalcemia. Histomorphometric and synchrotron micro-computed tomographic analysis of isolated bones indicated that Ad.sT beta RFc induced significant reduction in tumor burden, osteoclast number, and trabecular and cortical bone destruction. These studies suggest that Ad.sT beta RFc and TAd.sT beta RFc can be developed as potential new therapies for prostate cancer bone metastasis. C1 [Hu, Zebin; Gupta, Janhavi; Zhang, Zhenwei; Gerseny, Helen; Berg, Arthur; Chen, Yun Ju; Zhang, Zhiling; Seth, Prem] NorthShore Res Inst, Dept Med, Gene Therapy Program, Evanston, IL 60201 USA. [Du, Hongyan] NorthShore Res Inst, Ctr Clin & Res Informat, Evanston, IL 60201 USA. [Brendler, Charles B.] NorthShore Res Inst, Dept Surg, Evanston, IL 60201 USA. [Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Pienta, Kenneth J.] Univ Michigan, Dept Med & Urol, Ann Arbor, MI 48109 USA. [Guise, Theresa] Indiana Univ, Dept Med, Indianapolis, IN 46202 USA. [Lee, Chung] Northwestern Univ, Dept Urol, Chicago, IL 60611 USA. [Stern, Paula H.; Stock, Stuart] Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Chicago, IL 60611 USA. RP Seth, P (reprint author), NorthShore Res Inst, Dept Med, Gene Therapy Program, 2650 Ridge Ave,Room B 652, Evanston, IL 60201 USA. EM pseth@northshore.org RI Pienta, Kenneth/E-7679-2015 OI Pienta, Kenneth/0000-0002-4138-2186 FU NIH [R01CA12738]; North Shore Foundation; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This research was funded in part by NIH grant R01CA12738 (P.S.) and by an institutional grant from the North Shore Foundation (P.S.). 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 DE-AC02-06CH11357. The authors are thankful to the Kovler Family Foundation, Mr. and Mrs. Richard Hulina, Mr. Jimmie Alford and Ms. Maree Bullock, Maxine and James Farrell, the Carol Gollob Foundation, and an anonymous donor for their generous gifts. The authors are thankful to Janardan Khandekar, Theodore Mazzone, and Bruce Brockstein for continuous support. The authors thank Tamas Jilling for help in p-SMAD quantification, and Rebecca Orr for tissue processing. NR 54 TC 15 Z9 16 U1 0 U2 6 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1043-0342 J9 HUM GENE THER JI Hum. Gene Ther. PD AUG PY 2012 VL 23 IS 8 BP 871 EP 882 DI 10.1089/hum.2012.040 PG 12 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Medicine, Research & Experimental SC Biotechnology & Applied Microbiology; Genetics & Heredity; Research & Experimental Medicine GA 991EO UT WOS:000307684500010 PM 22551458 ER PT J AU Mawdsley, JR Carter, JD Myers, DJ Lewis, MA Krause, TR AF Mawdsley, Jennifer R. Carter, J. David Myers, Deborah J. Lewis, Michele A. Krause, Theodore R. TI Sulfur trioxide electrolysis studies: Implications for the sulfur-iodine thermochemical cycle for hydrogen production SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Electrolysis; Thermochemical cycle; Hydrogen production; Sulfur trioxide ID OXIDE FUEL-CELLS; HIGH-PERFORMANCE; LOW-TEMPERATURE; SYSTEM; GENERATION; CATHODE AB In this paper we describe our efforts to develop a sulfur trioxide (SO3) electrolyzer that could lower the temperature of the SO3 decomposition step in the sulfur-iodine and hybrid sulfur thermochemical cycles. The objective is to develop an alternative to the standard process of converting SO3 to SO2, which is thermal decomposition at 830 degrees C and above. Thermodynamic calculations show that high SO3 conversions can be obtained at 590 degrees C if oxygen is removed during the SO3 decomposition stage. One way of achieving oxygen removal during SO3 decomposition is electrolysis, if suitable electrode and electrolyte materials can be found. Active oxygen electrode materials are already developed and we have demonstrated suitability of a thin doped-zirconia electrolyte in this study. The main difficulty came in the development of an active and stable SO3 electrode. Using Ga-V-O/NbB2/Au electrodes we demonstrated high catalytic activity, but could not achieve acceptable electrochemical performance. Copyright (C) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Mawdsley, Jennifer R.; Carter, J. David; Myers, Deborah J.; Lewis, Michele A.; Krause, Theodore R.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Mawdsley, JR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM mawdsley@anl.gov FU U.S. Department of Energy, Office of Nuclear Energy, Nuclear Hydrogen Initiative Program; U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors are grateful to John Krebs, Magali Ferrandon, Ann Call, Simon Murphy, John Vaughey, Ilias Belharouak, and Joseph Masin of the Chemical Sciences and Engineering Division and Mark Petri of the Energy Engineering and Systems Analysis Directorate at Argonne National Laboratory for their assistance with this project. The electron microscopy was accomplished at the Electron Microscopy Center for Materials Research at Argonne National Laboratory. Funding was provided by the U.S. Department of Energy, Office of Nuclear Energy, Nuclear Hydrogen Initiative Program.; This 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 35 TC 3 Z9 3 U1 1 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD AUG PY 2012 VL 37 IS 15 BP 11004 EP 11011 DI 10.1016/j.ijhydene.2012.04.133 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 989ZL UT WOS:000307600700005 ER PT J AU Petitpas, G Aceves, SM Gupta, N AF Petitpas, Guillaume Aceves, Salvador M. Gupta, Nikunj TI Vehicle refueling with liquid hydrogen thermal compression SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen refueling; Liquid hydrogen; Thermal compression; Cost-effective design ID INSULATED PRESSURE-VESSELS; STORAGE; SYSTEMS AB We have modeled an approach for dispensing pressurized hydrogen to 350 and/or 700 bar vehicle vessels. Instead of relying on compressors, this concept stores liquid hydrogen in cryogenic pressure vessels where pressurization occurs through heat transfer, reducing the station energy footprint from 12 kW h/kgH(2) of energy from the US grid mix to 1.5-2 kW h/kgH(2) of heating. This thermal compression station presents capital cost and reliability advantages by avoiding the expense and maintenance of high-pressure hydrogen compressors, at the detriment of some evaporative losses. The total installed capital cost for a 475 kg/day thermal compression hydrogen refueling station is estimated at about $611,500, an almost 60% cost reduction over today's refueling station cost. The cost for 700 bar dispensing is $5.23/kg H-2 for a conventional station vs. $5.45/kg H-2 for a thermal compression station. If there is a demand for 350 bar H-2 in addition to 700 bar dispensing, the cost of dispensing from a thermal compression station drops to $4.81/kg H-2, which is similar to the cost of a conventional station that dispenses 350 bar H-2 only. Thermal compression also offers capacity flexibility (wide range of pressure, temperature, and station demand) that makes it appealing for early market applications. Copyright (C) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Petitpas, Guillaume; Aceves, Salvador M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Petitpas, G (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM petitpas1@llnl.gov; aceves6@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 18 TC 1 Z9 2 U1 2 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD AUG PY 2012 VL 37 IS 15 BP 11448 EP 11457 DI 10.1016/j.ijhydene.2012.04.137 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 989ZL UT WOS:000307600700048 ER PT J AU Clifton, A Lundquist, JK AF Clifton, Andrew Lundquist, Julie K. TI Data Clustering Reveals Climate Impacts on Local Wind Phenomena SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID KNEE POINT DETECTION; INTERANNUAL VARIABILITY; CIRCULATION; ATLANTIC; PATTERNS; TERRAIN; NUMBER; FLOWS; NAO AB The authors demonstrate the utility of k-means clustering for identifying relationships between winds at turbine heights and climate oscillations, thereby developing a method suited for predicting the impacts of climate change on wind resources. Fourteen years of data from an 80-m tower at the National Wind Technology Center (NWTC) in Colorado have been reduced to four dominant flow phenomena using k-means clustering. At this location, this method identifies two clusters of westerly inflow (strong and weak), another cluster of flow from the north, and one of flow from the south. Similar clusters are found for the data at all heights on the tower, and each follow distinct seasonal cycles. Time series of each cluster, as well as the mean wind speed at the NWTC, are retained for comparison with climate oscillations along with the local 500-hPa pressure gradient. The mean wind speed in the surface layer is strongly correlated with the local north-south pressure gradient. The frequency of strong westerly flow is also negatively correlated with the Nino-3.4 index, whereas weaker westerly winds are negatively correlated with the Pacific-North American pattern (PNA) and Arctic Oscillation (AO). Northerly winds at the NWTC did not strongly correlate with any of the investigated climate indices (AO, PNA, and Nino-3.4). These northerly winds occur more frequently in the summer months, suggesting that these winds are more influenced by local conditions than by mesoscale forcing. This method of identifying clusters in wind data allows objective identification of wind phenomena that may benefit the deployment of wind turbines, for example, in choosing combinations of wind speed and direction to investigate for turbine siting. C1 [Clifton, Andrew; Lundquist, Julie K.] Natl Wind Technol Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. [Lundquist, Julie K.] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA. RP Clifton, A (reprint author), Natl Wind Technol Ctr, Natl Renewable Energy Lab, 1671 Cole Blvd, Golden, CO 80401 USA. EM andrew.clifton@nrel.gov RI Clifton, Andrew/A-4045-2010; OI Clifton, Andrew/0000-0001-9698-5083; LUNDQUIST, JULIE/0000-0001-5490-2702 NR 37 TC 10 Z9 10 U1 0 U2 11 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 EI 1558-8432 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD AUG PY 2012 VL 51 IS 8 BP 1547 EP 1557 DI 10.1175/JAMC-D-11-0227.1 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 990DD UT WOS:000307610300008 ER PT J AU Whiteman, CD Haiden, T Pospichal, B Eisenbach, S Steinacker, R AF Whiteman, C. D. Haiden, T. Pospichal, B. Eisenbach, S. Steinacker, R. TI Minimum temperatures, diurnal temperature ranges, and temperature inversions in limestone sinkholes of different sizes and shapes (vol 43, pg 1224, 2004) SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Correction C1 [Whiteman, C. D.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Haiden, T.] Cent Inst Meteorol & Geodynam, Vienna, Austria. [Pospichal, B.; Eisenbach, S.; Steinacker, R.] Univ Vienna, Dept Meteorol & Geophys, Vienna, Austria. RP Whiteman, CD (reprint author), Univ Utah, Dept Atmospher Sci, 135 S 1460 E,Rm 819, Salt Lake City, UT 84112 USA. EM dave.whiteman@utah.edu RI Pospichal, Bernhard/A-3639-2014 NR 1 TC 0 Z9 0 U1 0 U2 7 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD AUG PY 2012 VL 51 IS 8 BP 1575 EP 1576 DI 10.1175/JAMC-D-12-0155.1 PG 2 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 990DD UT WOS:000307610300010 ER PT J AU Mage, MG Dolan, MA Wang, R Boyd, LF Revilleza, MJ Robinson, H Natarajan, K Myers, NB Hansen, TH Margulies, DH AF Mage, Michael G. Dolan, Michael A. Wang, Rui Boyd, Lisa F. Revilleza, Maria Jamela Robinson, Howard Natarajan, Kannan Myers, Nancy B. Hansen, Ted H. Margulies, David H. TI The Peptide-Receptive Transition State of MHC Class I Molecules: Insight from Structure and Molecular Dynamics SO JOURNAL OF IMMUNOLOGY LA English DT Article ID MAJOR HISTOCOMPATIBILITY COMPLEX; HLA-DM; ENDOPLASMIC-RETICULUM; ANTIGENIC PEPTIDES; CELL-SURFACE; CONFORMATIONAL FLEXIBILITY; MONOCLONAL-ANTIBODIES; TAPASIN DEPENDENCE; QUALITY-CONTROL; HYDROGEN-BOND AB MHC class I (MHC-I) proteins of the adaptive immune system require antigenic peptides for maintenance of mature conformation and immune function via specific recognition by MHC-I-restricted CD8(+) T lymphocytes. New MHC-I molecules in the endoplasmic reticulum are held by chaperones in a peptide-receptive (PR) transition state pending release by tightly binding peptides. In this study, we show, by crystallographic, docking, and molecular dynamics methods, dramatic movement of a hinged unit containing a conserved 3(10) helix that flips from an exposed "open" position in the PR transition state to a "closed" position with buried hydrophobic side chains in the peptide-loaded mature molecule. Crystallography of hinged unit residues 46-53 of murine H-2L(d) MHC-I H chain, complexed with mAb 64-3-7, demonstrates solvent exposure of these residues in the PR conformation. Docking and molecular dynamics predict how this segment moves to help form the A and B pockets crucial for the tight peptide binding needed for stability of the mature peptide-loaded conformation, chaperone dissociation, and Ag presentation. The Journal of Immunology, 2012, 189: 1391-1399. C1 [Mage, Michael G.; Wang, Rui; Boyd, Lisa F.; Revilleza, Maria Jamela; Natarajan, Kannan; Margulies, David H.] NIAID, Mol Biol Sect, Immunol Lab, NIH, Bethesda, MD 20892 USA. [Dolan, Michael A.] NIAID, Computat Biol Sect, Bioinformat & Computat Biosci Branch, NIH, Bethesda, MD 20892 USA. [Robinson, Howard] Brookhaven Natl Labs, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Myers, Nancy B.; Hansen, Ted H.] Washington Univ, Dept Pathol & Immunol, Sch Med, St Louis, MO 63110 USA. RP Margulies, DH (reprint author), NIAID, Mol Biol Sect, Immunol Lab, NIH, 10 Ctr Dr,Bldg 10,Room 11N311, Bethesda, MD 20892 USA. EM mmage@mail.nih.gov; dhm@nih.gov RI Margulies, David/H-7089-2013; OI Margulies, David/0000-0001-8530-7375 FU National Institute of Allergy and Infectious Diseases; National Institutes of Health [AI019687] FX This work was supported in part by the Intramural Research Program of the National Institute of Allergy and Infectious Diseases, as well as by National Institutes of Health Grant AI019687 (to T H.H.). NR 89 TC 20 Z9 20 U1 0 U2 14 PU AMER ASSOC IMMUNOLOGISTS PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0022-1767 J9 J IMMUNOL JI J. Immunol. PD AUG 1 PY 2012 VL 189 IS 3 BP 1391 EP 1399 DI 10.4049/jimmunol.1200831 PG 9 WC Immunology SC Immunology GA 976QJ UT WOS:000306599100036 PM 22753930 ER PT J AU Porter, DL Tsai, HC AF Porter, D. L. Tsai, Hanchung TI Full-length U-xPu-10Zr (x=0, 8, 19 wt.%) fast reactor fuel test in FFTF SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID IRRADIATION AB The Integral Fast Reactor-1 (1FR-1) experiment performed in the Fast Flux Test Facility (FFTF) was the only U-Pu-10Zr (Pu-0, 8 and 19 wt.%) metallic fast reactor test with commercial-length (91.4-cm active fuel-column length) conducted to date. With few remaining test reactors, there is little opportunity for performing another test with a long active fuel column. The assembly was irradiated to the goal burnup of 10 at.%. The beginning-of-life (BOL) peak cladding temperature of the hottest pin was 608 degrees C, cooling to 522 degrees C at end-of-life (EOL). Selected fuel pins were examined non-destructively using neutron radiography, precision axial gamma scanning, and both laser and spiral contact cladding profilometry. Destructive exams included plenum gas pressure, volume, and gas composition determinations on a number of pins followed by optical metallography, electron probe microanalysis (EPMA), and alpha and betagamma autoradiography on a single U-19Pu-10Zr pin. The post-irradiation examinations (PlEs) showed very few differences compared to the short-pin (34.3-cm fuel column) testing performed on fuels of similar composition in Experimental Breeder Reactor-II (EBR-II). The fuel column grew axially slightly less than observed in the short pins, but with the same pattern of decreasing growth with increasing Pu content. There was a difference in the fuel-cladding chemical interaction (FCCI) in that the maximum cladding penetration by interdiffusion with fuel/fission products did not occur at the top of the fuel column where the cladding temperature is highest, as observed in EBR-II tests. Instead, the more exaggerated fission-rate profile of the FFTF pins resulted in a peak FCCI at similar to 0.7 X/L axial location along the fuel column. This resulted from a higher production of rare-earth fission products at this location and a higher Delta T between fuel center and cladding than at core center, together providing more rare earths at the cladding and more FCCI. This behavior could actually help extend the life of a fuel pin in a "long pin" reactor design to a higher peak fuel burnup. (C) 2012 Elsevier B.V. All rights reserved. C1 [Porter, D. L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Tsai, Hanchung] Argonne Natl Lab, Argonne, IL 60439 USA. RP Porter, DL (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Douglas.Porter@inl.gov FU US Government under DOE [DE-AC07-05ID14517] FX This submitted manuscript was authored by a contractor of the US Government under DOE Contract No. DE-AC07-05ID14517. Accordingly, the US Government retains and the publisher, by accepting the article for publication, acknowledges that the US Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US Government purposes. NR 18 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 46 EP 57 DI 10.1016/j.jnucmat.2012.03.047 PG 12 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500006 ER PT J AU Gussev, MN Byun, TS Busby, JT AF Gussev, M. N. Byun, T. S. Busby, J. T. TI Description of strain hardening behavior in neutron-irradiated fcc metals SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID AUSTENITIC STAINLESS-STEEL; MECHANICAL-PROPERTIES; TENSILE PROPERTIES; GRAIN-SIZE; DEFORMATION-BEHAVIOR; PLASTIC INSTABILITY; STRESS; MICROSTRUCTURE; COPPER; 316-STAINLESS-STEEL AB This paper summarizes an investigation of the deformation hardening behavior of neutron-irradiated stainless steels and copper in terms of true stress(sigma)-true strain(epsilon) curves. It is commonly accepted that the sigma-epsilon curves are more informative for describing plastic flow, but there are few papers devoted to using the true curves for describing constitutive behavior of irradiated materials. This study uses previously published true and engineering curves for stainless steel and copper irradiated to different damage level. The most appropriate constitutive equation has been identified, and it is shown that for the strain range 0-0.6 the true curves can be well described by the Swift equation: sigma = k(epsilon-epsilon(0))(0.5). The influence of irradiation on the parameters of the Swift equation is investigated in detail. It is found that in most cases the k-parameter of this equation is not changed significantly by irradiation. Since large data scatter was observed for the go-parameter, a modified Swift equation sigma = k(epsilon-sigma(2)(0)/k(2))(0.5) was proposed and evaluated. This equation is based on the concept of an initial stress sigma(0), which is, in general, close to the yield stress. The relationships among k, epsilon(0), and damage dose, influence of test temperature and grain size are discussed. (C) 2012 Elsevier B.V. All rights reserved. C1 [Gussev, M. N.; Byun, T. S.; Busby, J. T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Gussev, M. N.] Univ Tennessee, Knoxville, TN 37996 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 FU US. Department of Energy, Office of Nuclear Energy FX This research was sponsored by the US. Department of Energy, Office of Nuclear Energy, for the Light Water Reactor Sustainability Research and Development Effort. NR 35 TC 5 Z9 5 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 62 EP 68 DI 10.1016/j.jnucmat.2012.04.017 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500008 ER PT J AU Terrani, KA Kiggans, JO Snead, LL AF Terrani, Kurt A. Kiggans, Jim O. Snead, Lance L. TI Fabrication and preliminary evaluation of metal matrix microencapsulated fuels SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCONIUM ALLOYS; NEUTRON-IRRADIATION; N SYSTEM; MICROSTRUCTURE; ZIRCALOY; GROWTH; CARBON; THERMODYNAMICS; MECHANISMS; OXIDATION AB The metal matrix microencapsulated (M3) fuel concept for light water reactors (LWRs), consisting of coated fuel particles dispersed in a zirconium metal matrix, is introduced. Fabrication of M3 fuels by hot pressing, hot isostatic pressing, or extrusion methodologies has been demonstrated over the temperature range 800-1050 degrees C. Various types of coated fuel particles with outermost layers of pyrocarbon, SiC. ZrC, and TiN have been incorporated into the zirconium metal matrix. Mechanical particle-particle and chemical particle-matrix interactions have been observed during the preliminary characterization of as-fabricated M3 specimens. Irradiation of three M3 rodlets with surrogate coated fuel particles was carried out at mean rod temperature of 400 degrees C to 4.6 dpa in the zirconium metal matrix. Due to absence of texture in the metal matrix no irradiation growth strain (<0.09%) was detected during the post-irradiation examination. (C) 2012 Elsevier B.V. All rights reserved. C1 [Terrani, Kurt A.] Oak Ridge Natl Lab, Fuel Cycle & Isotopes Div, Oak Ridge, TN 37831 USA. [Kiggans, Jim O.; Snead, Lance L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Terrani, KA (reprint author), Oak Ridge Natl Lab, Fuel Cycle & Isotopes Div, Oak Ridge, TN 37831 USA. EM kurt.terrani@gmail.com RI kiggans, james/E-1588-2017 OI kiggans, james/0000-0001-5056-665X FU Office of Nuclear Energy, US Department of Energy; Laboratory Directed RD funds at ORNL; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX The work presented in this paper was supported partially by the Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, US Department of Energy as well as Laboratory Directed R&D funds at ORNL. The electron microscopy (JEOL6500 FEG SEM) and specimen neutron irradiation were performed at ORNL's Shared Research Equipment (ShaRE) User Facility and High Flux Isotope Reactor (HEIR), respectively, which are both sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 45 TC 9 Z9 12 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 79 EP 86 DI 10.1016/j.jnucmat.2012.04.010 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500010 ER PT J AU Besmann, TM Shin, D Lindemer, TB AF Besmann, Theodore M. Shin, Dongwon Lindemer, Terrence B. TI Uranium nitride as LWR TRISO fuel: Thermodynamic modeling of U-C-N SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CARBON-NITROGEN SYSTEM; SOLID SOLUTIONS; MELTING POINT; VAPORIZATION; CARBONITRIDES; MONONITRIDE; PRESSURES AB TRISO coated particle fuel is envisioned as a next generation replacement for current urania pellet fuel in LWR applications. To obtain adequate fissile loading the kernel of the TRISO particle will likely need to be UN instead of UO2. In support of the necessary development effort for this new fuel system, an assessment of phase regions of interest in the U-C-N system was undertaken as the fuel will be prepared by the carbothermic reduction of the oxide followed by nitriding, will be in equilibrium with carbon within the TRISO particle, and will react with minor actinides and fission products. The phase equilibria and thermochemistry of the U-C-N system is reviewed, including nitrogen pressure measurements above various phase fields. Measurements were used to confirm an ideal solution model of UN and UC adequately represents the UC1-xNx phase. Agreement with the data was significantly improved by effectively adjusting the Gibbs free energy of UN by +12 kJ/mol. This also required adjustment of the value for the sesquinitride by +17 kJ/mol to obtain agreement with phase equilibria. The resultant model together with reported values for other phases in the system was used to generate isothermal sections of the U-C-N phase diagram. Nitrogen partial pressures were also computed for regions of interest. (C) 2012 Elsevier B.V. All rights reserved. C1 [Besmann, Theodore M.; Shin, Dongwon; Lindemer, Terrence B.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Surface Proc & Mech Grp, Oak Ridge, TN 37831 USA. RP Besmann, TM (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Surface Proc & Mech Grp, 1 Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. EM besmanntm@ornl.gov RI Shin, Dongwon/C-6519-2008 OI Shin, Dongwon/0000-0002-5797-3423 FU US Department of Energy, Office of Nuclear Energy Advanced Fuel Cycle RD Program FX The comments of S.L. Voit, K.A. Terrani, and LL. Snead, are gratefully acknowledged. Research supported by the US Department of Energy, Office of Nuclear Energy Advanced Fuel Cycle R&D Program. NR 27 TC 11 Z9 11 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 162 EP 168 DI 10.1016/j.jnucmat.2012.04.021 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500020 ER PT J AU van Rooyen, IJ Smal, CA Steyn, J AF van Rooyen, I. J. Smal, C. A. Steyn, J. TI Applications of Nd:YAG laser micromanufacturing in high temperature gas reactor research SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article AB Two innovative applications of Nd:YAG laser micromachining techniques are demonstrated in this publication. Research projects to determine the fission product transport mechanisms in TRISO coated particles necessitate heat treatment studies as well as the manufacturing of a unique sealed system for experimentation at very high temperatures. This article describes firstly the design and creation of an alumina jig designed to contain 500 mu m diameter ZrO2 spheres intended for annealing experiments at temperatures up to 1600 degrees C. Functional requirements of this jig are the precision positioning of spheres for laser ablation, welding and post weld heat treatment in order to ensure process repeatability and accurate indexing of individual spheres. The design challenges and the performance of the holding device are reported. Secondly the manufacture of a sealing system using laser micromachining is reported. ZrO2 micro plugs isolate the openings of micro-machined cavities to produce a gas-tight seal fit for application in a high temperature environment. The technique is described along with a discussion of the problems experienced during the sealing process. Typical problems experienced were seating dimensions and the relative small size (similar to 200 mu m) of these plugs that posed handling challenges. Manufacturing processes for both the tapered seating cavity and the plug are demonstrated. In conclusion, this article demonstrates the application of Nd-YAG micromachining in an innovative way to solve practical research problems. Published by Elsevier B.V. C1 [van Rooyen, I. J.] Idaho Natl Lab, Fuel Performance & Design Dept, Idaho Falls, ID 83415 USA. [Smal, C. A.; Steyn, J.] CSIR, Natl Laser Ctr, ZA-0001 Pretoria, South Africa. RP van Rooyen, IJ (reprint author), Idaho Natl Lab, Fuel Performance & Design Dept, Idaho Falls, ID 83415 USA. EM Isabella.vanRooyen@inl.gov FU PBMR FX We gratefully acknowledge the contribution from Martin C. Beyers, CER advance Engineering Ceramics (PTY) LTD. that made ceramic raw materials available, NMMU that availed equipment for heat treatment and PBMR that funded this project. NR 10 TC 0 Z9 0 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 169 EP 173 DI 10.1016/j.jnucmat.2012.04.028 PG 5 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500021 ER PT J AU Youker, AJ Stepinski, DC Maggos, LE Bakel, AJ Vandegrift, GF AF Youker, Amanda J. Stepinski, Dominique C. Maggos, Laura E. Bakel, Allen J. Vandegrift, George F. TI Aqueous processing of U-10Mo scrap for high performance research reactor fuel SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article AB The Global Threat Reduction Initiative (GTRI) Conversion program, which is part of the US government's National Nuclear Security Administration (NNSA), supports the conversion of civilian use of highly enriched uranium (HEU) to low enriched uranium (LEU) for reactor fuel and targets. The reason for conversion is to eliminate the use of any material that may pose a threat to the United States or other foreign countries. High performance research reactors (HPRRs) cannot make the conversion to a standard LEU fuel because they require a more dense fuel to meet their performance requirements. As a result, a more dense fuel consisting of a monolithic uranium-molybdenum alloy containing 10% (w/w) Mo with Al cladding and a Zr bonding-layer is being considered. Significant losses are expected in the fabrication of this fuel, so a means to recycle the scrap pieces is needed. Argonne National Laboratory has developed an aqueous-processing flowsheet for scrap recovery in the fuel fabrication process for high-density LEU-monolithic fuel based on data found in the literature. Experiments have been performed to investigate dissolution conditions for solutions containing approximately 20 g-U/L and 50 g-U/L with and without Fe(NO3)(3). HNO3 and HF concentrations have been optimized for timely dissolution of the fuel scrap and prevention of the formation of the U-Zr-2 intermetallic, explosive complex, while meeting the requirements needed for further processing. Published by Elsevier B.V. C1 [Youker, Amanda J.; Stepinski, Dominique C.; Maggos, Laura E.; Bakel, Allen J.; Vandegrift, George F.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Youker, AJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM youker@anl.gov NR 13 TC 1 Z9 1 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 185 EP 192 DI 10.1016/j.jnucmat.2012.05.002 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500024 ER PT J AU Terrani, KA Snead, LL Gehin, JC AF Terrani, Kurt A. Snead, Lance L. Gehin, Jess C. TI Microencapsulated fuel technology for commercial light water and advanced reactor application SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID INITIATED ACCIDENT CONDITIONS; COATED PARTICLE FUEL; 1700 DEGREES C; SILICON-CARBIDE; THERMAL-CONDUCTIVITY; TRISO FUEL; NEUTRON-IRRADIATION; FUSION APPLICATIONS; URANIUM NITRIDE; TEMPERATURE AB The potential application of microencapsulated fuels to light water reactors (LWRs) has been explored. The specific fuel manifestation being put forward is for coated fuel particles embedded in silicon carbide or zirconium metal matrices. Detailed descriptions of these concepts are presented, along with a review of attributes, potential benefits, and issues with respect to their application in LWR environments, specifically from the standpoints of materials, neutronics, operations, and economics. Preliminary experiment and modeling results imply that with marginal redesign, significant gains in operational reliability and accident response margins could be potentially achieved by replacing conventional oxide-type LWR fuel with microencapsulated fuel forms. (C) 2012 Elsevier B.V. All rights reserved. C1 [Terrani, Kurt A.] Oak Ridge Natl Lab, Fuel Cycle & Isotopes Div, Oak Ridge, TN 37831 USA. [Snead, Lance L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Gehin, Jess C.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. RP Terrani, KA (reprint author), Oak Ridge Natl Lab, Fuel Cycle & Isotopes Div, Oak Ridge, TN 37831 USA. EM kurt.terrani@gmail.com OI Gehin, Jess/0000-0001-8337-9551 FU Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, U.S. Department of Energy; Laboratory Directed RD funds at ORNL FX The authors would like to extend their gratitude to Gary Bell and John Hunn at Fuel Cycle and Isotopes Division; Theodore Besmann, Yutai Katoh, James Keiser, and Hua-Tay Lin at Materials Science and Technology Division; Andrew Godfrey and Larry Ott at Reactor and Nuclear Systems Division; and Steve Zinkle at ORNL for their insight and thoughtful discussions. The reactivity calculations were performed by Nathan George and Cole Gentry of the Department of Nuclear Engineering at University of Tennessee, Knoxville, who are advised by Prof. Ivan Maldonado. The work presented in this paper was supported partially by the Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, U.S. Department of Energy as well as by Laboratory Directed R&D funds at ORNL. NR 97 TC 47 Z9 47 U1 4 U2 33 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 209 EP 224 DI 10.1016/j.jnucmat.2012.05.021 PG 16 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500027 ER PT J AU Yang, TF Huang, XJ Wang, CX Zhang, YW Xue, JM Yan, S Wang, YG AF Yang, Tengfei Huang, Xuejun Wang, Chenxu Zhang, Yanwen Xue, Jianming Yan, Sha Wang, Yugang TI Enhanced structural stability of nanoporous zirconia under irradiation of He SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID NUCLEAR-REACTION ANALYSIS; X-RAY-ABSORPTION; HELIUM MIGRATION; CUBIC ZIRCONIA; PHASE-TRANSFORMATION; ION IRRADIATION; DAMAGE EVOLUTION; RAMAN-SCATTERING; RADIATION-DAMAGE; DIFFUSION AB This work reports a greatly enhanced tolerance for He irradiation-induced swelling in nanocrystalline zirconia film with interconnected nanoporous structure (hereinafter referred as to NC-C). Compared to bulk yttria-stabilized zirconia (YSZ) and another nanocrystalline zirconia film only with discrete nano voids (hereinafter referred as to NC-V), the NC-C film reveals good tolerance for irradiation of high-fluence He. No appreciable surface blistering can be found even at the highest fluence of 6 x 10(17) cm(-2) in NCC film. From TEM analysis of as-irradiated samples, the enhanced tolerance for volume swelling in NCC film is attributed to the enhanced diffusion mechanism of deposited He via widely distributed nano channels. Furthermore, the growth of grain size is quite small for both nanocrystalline zirconia films after irradiation, which is ascribed to the decreasing of area of grain boundary due to loose structure and low energy of primary knock-on atoms for He ions. (C) 2012 Elsevier B.V. All rights reserved. C1 [Yang, Tengfei; Huang, Xuejun; Wang, Chenxu; Xue, Jianming; Yan, Sha; Wang, Yugang] Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Zhang, Yanwen] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhang, Yanwen] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Wang, YG (reprint author), Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. EM ygwang@pku.edu.cn OI , /0000-0003-2655-0804 FU Ministry of Science and Technology of China [2010CB832904, 2008CB717803]; National Natural Science Foundation of China [11075005]; Fundamental Research Funds for the Central Universities; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was financially supported by the Ministry of Science and Technology of China (2010CB832904, 2008CB717803) and National Natural Science Foundation of China (11075005), Fundamental Research Funds for the Central Universities. Part of the research is supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 50 TC 10 Z9 10 U1 3 U2 45 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 225 EP 232 DI 10.1016/j.jnucmat.2012.05.014 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500028 ER PT J AU Kim, YS Hofman, GL Robinson, AB Wachs, DM Ryu, HJ Park, JM Yang, JH AF Kim, Yeon Soo Hofman, G. L. Robinson, A. B. Wachs, D. M. Ryu, H. J. Park, J. M. Yang, J. H. TI Irradiation performance of U-Mo-Ti and U-Mo-Zr dispersion fuels in Al-Si matrixes SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ALLOY; BEHAVIOR; PRODUCT AB Performance of U-7 wt.%Mo with 1 wt.%Ti, 1 wt.%Zr or 2 wt.%Zr, dispersed in an Al-5 wt.%Si alloy matrix, was investigated through irradiation tests in the ATR at INL and HANARO at KAERI. Post-irradiation metallographic features show that the addition of Ti or Zr suppresses interaction layer growth between the U-Mo and the Al-5 wt.%Si matrix. However, higher fission gas swelling was observed in the fuel with Zr addition, while no discernable effect was found in the fuel with Ti addition as compared to U-Mo without the addition. Known to have a destabilizing effect on the gamma-phase U-Mo, Zr, either as alloy addition or fission product, is ascribed for the disadvantageous result. Considering its benign effect on fuel swelling, with slight disadvantage from neutron economy point of view, Ti may be a better choice for this purpose. (C) 2012 Elsevier B.V. All rights reserved. C1 [Kim, Yeon Soo; Hofman, G. L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Robinson, A. B.; Wachs, D. M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Ryu, H. J.; Park, J. M.; Yang, J. H.] Korea Atom Energy Res Inst, Taejon 305353, South Korea. RP Kim, YS (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM yskim@anl.gov RI RYU, HO JIN/J-2764-2013 OI RYU, HO JIN/0000-0002-3387-7381 FU US Department of Energy, Office of Global Threat Reduction (NA-21), National Nuclear Security Administration [DE-AC-02-06CH11357] FX This work was supported by the US Department of Energy, Office of Global Threat Reduction (NA-21), National Nuclear Security Administration, under Contract No. DE-AC-02-06CH11357 between UChicago Argonne, LLC and the Department of Energy. NR 27 TC 9 Z9 9 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 233 EP 238 DI 10.1016/j.jnucmat.2012.05.006 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500029 ER PT J AU Hunt, RD Silva, GWCM Lindemer, TB Anderson, KK Collins, JL AF Hunt, R. D. Silva, G. W. C. M. Lindemer, T. B. Anderson, K. K. Collins, J. L. TI Preparation of uranium fuel kernels with silicon carbide nanoparticles using the internal gelation process SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article AB The US Department of Energy continues to use the internal gelation process in its preparation of tristructural isotropic coated fuel particles. The focus of this work is to develop uranium fuel kernels with adequately dispersed silicon carbide (SIC) nanoparticles, high crush strengths, uniform particle diameter, and good sphericity. During irradiation to high burnup, the SIC in the uranium kernels will serve as getters for excess oxygen and help control the oxygen potential in order to minimize the potential for kernel migration. The hardness of SiC required modifications to the gelation system that was used to make uranium kernels. Suitable processing conditions and potential equipment changes were identified so that the SiC could be homogeneously dispersed in gel spheres. Finally, dilute hydrogen rather than argon should be used to sinter the uranium kernels with SiC. (C) 2012 Elsevier B.V. All rights reserved. C1 [Hunt, R. D.; Silva, G. W. C. M.; Collins, J. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Lindemer, T. B.] Harbach Engn & Solut, Dayton, OH 45458 USA. [Anderson, K. K.] Areva NP, Charlotte, NC 28262 USA. RP Hunt, RD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM huntrd@ornl.gov FU US Department of Energy through the Office of Nuclear Energy, Science and Technology's Fuel Cycle Research and Development Program [DE-AC05-00OR22725]; UT-Battelle, LLC; Fuel Cycle and Isotopes Division FX This effort was sponsored by the US Department of Energy through the Office of Nuclear Energy, Science and Technology's Fuel Cycle Research and Development Program under contract DE-AC05-00OR22725 with UT-Battelle, LLC. The work was performed at the ORNL under the auspices of the Fuel Cycle and Isotopes Division. NR 10 TC 3 Z9 3 U1 0 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 245 EP 248 DI 10.1016/j.jnucmat.2012.04.027 PG 4 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500031 ER PT J AU Li, YL Hu, SY Henager, CH Deng, HQ Gao, F Sun, X Khaleel, MA AF Li, Yulan Hu, Shenyang Henager, Charles H., Jr. Deng, Huiqiu Gao, Fei Sun, Xin Khaleel, Moe A. TI Computer simulations of interstitial loop growth kinetics in irradiated bcc Fe SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID PHASE-FIELD MODEL; GRAIN-BOUNDARY SEGREGATION; DISLOCATION LOOPS; SOLUTE DRAG; SINK STRENGTH; POINT-DEFECTS; VOID GROWTH; METALS; IRON; MOBILITY AB The growth kinetics of (001) [001] interstitial loops in bcc Fe is studied by phase-field modeling. The effect of defect (vacancy/interstitial) concentration, generation, recombination, sink strength, and elastic interaction on the growth kinetics of interstitial loops is systematically simulated. Results show that the elastic interaction between the defects and interstitial loops speeds up the growth kinetics and affects the morphology of the interstitial loops. Linear growth rate, i.e., the loop average radius is linear to time, under both aging and irradiation are predicted, which is in agreement with experimental observation. The results also show that the interstitial loop growth rate, which is directly related to the sink strength of the interstitial loop for interstitials, increases linearly with the initial interstitial concentration during aging while changing logarithmically with the interstitial generation rate under irradiation. Published by Elsevier B.V. C1 [Li, Yulan; Hu, Shenyang; Henager, Charles H., Jr.; Gao, Fei; Sun, Xin; Khaleel, Moe A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Deng, Huiqiu] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China. RP Hu, SY (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM shenyang.hu@pnl.gov RI Deng, Huiqiu/A-9530-2009; OI Deng, Huiqiu/0000-0001-8986-104X; khaleel, mohammad/0000-0001-7048-0749; Henager, Chuck/0000-0002-8600-6803; HU, Shenyang/0000-0002-7187-3082 FU 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. Drs. Hu and Henager would also like to acknowledge the support by Identification of Damage Signatures in Advanced Reactor Materials, a Laboratory Directed Research Development (LDRD) project at PNNL. NR 49 TC 10 Z9 10 U1 6 U2 38 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 AUG PY 2012 VL 427 IS 1-3 BP 259 EP 267 DI 10.1016/j.jnucmat.2012.05.004 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500033 ER PT J AU Cheng, T Keiser, JR Brady, MP Terrani, KA Pint, BA AF Cheng, Ting Keiser, James R. Brady, Michael P. Terrani, Kurt A. Pint, Bruce A. TI Oxidation of fuel cladding candidate materials in steam environments at high temperature and pressure SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID WATER-VAPOR; ZIRCALOY-4; COMPOSITES; SILICON; CARBIDE AB Under certain severe accident conditions, the fuel rods of nuclear power plants are exposed to high temperature/pressure steam environments in which the Zr alloy cladding is rapidly oxidized. As alternative claddings, the oxidation resistances of SiC-based materials and stainless steels with high Cr and/or Al additions have been examined from 800-1200 degrees C in high-pressure steam environments. Very low reaction kinetics were observed with alumina-forming FeCrAl alloys at 1200 degrees C while Fe-Cr alloys with only 15-20% Cr were rapidly attacked. Published by Elsevier B.V. C1 [Cheng, Ting; Keiser, James R.; Brady, Michael P.; Pint, Bruce A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Terrani, Kurt A.] Oak Ridge Natl Lab, Fuel Cycle & Isotopes Div, Oak Ridge, TN USA. RP Cheng, T (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM chengt@ornl.gov RI Brady, Michael/A-8122-2008; Pint, Bruce/A-8435-2008 OI Brady, Michael/0000-0003-1338-4747; Pint, Bruce/0000-0002-9165-3335 FU Advanced Fuel Campaign of the Fuel Cycle R&D program at Office of Nuclear Energy, US Department of Energy; ORNL's Shared Research Equipment (ShaRE) User Facility; Office of Basic Energy Sciences, US Department of Energy FX The authors thank Dr. Y. Katoh, and Dr. P.F. Tortorelli for helpful comments on this manuscript. The work presented in this manuscript was supported under the Advanced Fuel Campaign of the Fuel Cycle R&D program at Office of Nuclear Energy, US Department of Energy. Research supported in part by ORNL's Shared Research Equipment (ShaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, US Department of Energy. NR 10 TC 36 Z9 37 U1 3 U2 71 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG PY 2012 VL 427 IS 1-3 BP 396 EP 400 DI 10.1016/j.jnucmat.2012.05.007 PG 5 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 982FO UT WOS:000307028500050 ER PT J AU Lee, JH Hyung, SW Mun, DG Jung, HJ Kim, H Lee, H Kim, SJ Park, KS Moore, RJ Smith, RD Lee, SW AF Lee, Jung Hwa Hyung, Seok-Won Mun, Dong-Gi Jung, Hee-Jung Kim, Hokeun Lee, Hangyeore Kim, Su-Jin Park, Kyong Soo Moore, Ronald J. Smith, Richard D. Lee, Sang-Won TI Fully Automated Multifunctional Ultrahigh Pressure Liquid Chromatography System for Advanced Proteome Analyses SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE Multifunctional LC; 1DLC; 2DLC; Online Phosphopeptide Enrichment; Bottom-Up Proteomics; tandem mass spectrometry ID TANDEM MASS-SPECTROMETRY; PEPTIDE IDENTIFICATION; SHOTGUN PROTEOMICS; ION-EXCHANGE; MULTIDIMENSIONAL SEPARATIONS; HIGH-RESOLUTION; HIGH-THROUGHPUT; SOFTWARE TOOL; PEAK-CAPACITY; ESI-MS/MS AB A multifunctional liquid chromatography system that performs 1-dimensional, 2-dimensional (strong cation exchange/reverse phase liquid chromatography or SCX/RPLC) separations and online phosphopeptide enrichment using a single binary nanoflow pump has been developed. With a simple operation of a function selection valve equipped with a SCX column and a TiO2 (titanium dioxide) column, a fully automated selection of three different experiment modes was achieved. Because the current system uses essentially the same solvent flow paths, the same trap column, and the same separation column for reverse-phase separation of 1D, 2D, and online phosphopeptides enrichment experiments, the elution time information obtained from these experiments is in excellent agreement, which facilitates correlating peptide information from different experiments. The final reverse-phase separation of the three experiments is completely decoupled from all of the function selection processes; thereby salts or acids from SCX or TiO2 column do not affect the efficiency of the reverse-phase separation. C1 [Lee, Jung Hwa; Hyung, Seok-Won; Mun, Dong-Gi; Jung, Hee-Jung; Kim, Hokeun; Lee, Hangyeore; Kim, Su-Jin; Lee, Sang-Won] Korea Univ, Res Inst Nat Sci, Dept Chem, Seoul 136701, South Korea. [Park, Kyong Soo] Seoul Natl Univ, Dept Internal Med, Coll Med, Seoul 110799, South Korea. [Moore, Ronald J.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Lee, SW (reprint author), 1,5 Ka, Seoul 136701, South Korea. EM sw_lee@korea.ac.kr RI Smith, Richard/J-3664-2012; Lee, Sang-Won/H-6760-2013; Park, Kyong Soo/C-2265-2008 OI Smith, Richard/0000-0002-2381-2349; Lee, Sang-Won/0000-0002-5042-0084; Park, Kyong Soo/0000-0003-3597-342X FU Ministry of Health and Welfare, Republic of Korea [A111218-11-CP02]; NIH [RR018522/GM103493-10]; Priority Research Centers Program [NRF20100020209]; Proteogenomic Research Program through the National Research Foundation of Korea (NRF); Converging Research Center Program [2011K000897]; Ministry of Education, Science and Technology FX This study was supported in part by grants of A111218-11-CP02 (to S.L.) from the National Project for Personalized Genomic Medicine, Korea Health 21 R&D Project, Ministry of Health and Welfare, Republic of Korea, and NIH grant RR018522/GM103493-10 (to R.D.S.). S.L. also acknowledges the Priority Research Centers Program (NRF20100020209), the Proteogenomic Research Program through the National Research Foundation of Korea (NRF) and the Converging Research Center Program (Grant 2011K000897) funded by the Ministry of Education, Science and Technology. We thank K W. Roh for the technical assistance with instrumentation. NR 57 TC 10 Z9 10 U1 2 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD AUG PY 2012 VL 11 IS 8 BP 4373 EP 4381 DI 10.1021/pr3004166 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 982IW UT WOS:000307037600041 PM 22709424 ER PT J AU Lebassi-Habtezion, B Van Buskirk, R AF Lebassi-Habtezion, B. Van Buskirk, R. TI Numerical Simulation of Wind Distributions for Resource Assessment in Southeastern Eritrea, East Africa SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID COORDINATE TRANSFORMATION; TURBULENCE; ENERGY; MODEL AB We present the results of a simulation study of the wind energy resources of southeastern Eritrea. In this study, we simulate the three dimensional wind fields during typical, steady conditions of the Southern Red Sea southeast monsoon season. The simulations verify the existence of a low level jet (LLJ) contained within the highly stratified marine layer over the Southern Red Sea. The LLJ is caused by the channeling and the acceleration of marine layer flow as it passes through the strait of Bab el Mandeb on its way from the Indian Ocean to the Eastern Sahara. The LLJ extends from 12.5 deg to 14.5 deg N latitude in the Southern Red Sea and has peak velocities at 300-600 m elevation above the sea. Sea-land breezes advect the high speeds of the LLJ onshore along a 200 km stretch of southeastern Eritrean coastline, producing an excellent wind energy resource that peaks daily at 3 p.m. LST. This resource is currently under development for both grid-connected and decentralized village wind energy applications. [DOI: 10.1115/1.4006267] C1 [Lebassi-Habtezion, B.] Stanford Univ, Dept Environm Earth Syst Sci, Stanford, CA 95053 USA. [Van Buskirk, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Lebassi-Habtezion, B (reprint author), Stanford Univ, Dept Environm Earth Syst Sci, Stanford, CA 95053 USA. EM bereketl@stanford.edu FU Ernesto Orlando Lawrence Berkeley National Laboratory; Environmental Earth System Science Department of Stanford University FX The authors would like to thank the Ernesto Orlando Lawrence Berkeley National Laboratory and Environmental Earth System Science Department of Stanford University for providing support for this work and to the Meteorology Department at San Jose State University (SJSU) for providing access to their computer cluster. We also would like to thank Prof. Alison Bridger of SJSU for reviewing the work as a thesis advisor and Prof. Bornstein of SJSU for his review of the work and insightful comments. NR 25 TC 1 Z9 1 U1 1 U2 6 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD AUG PY 2012 VL 134 IS 3 AR 031007 DI 10.1115/1.4006267 PG 8 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 970OO UT WOS:000306141800007 ER PT J AU Karra, S Rajagopal, KR AF Karra, Satish Rajagopal, K. R. TI A model for the thermo-oxidative degradation of polyimides SO MECHANICS OF TIME-DEPENDENT MATERIALS LA English DT Article DE Viscoelasticity; Aging; Oxidation; Entropy production; Degradation; Polyimide ID COMPLEX CHEMICAL-EQUILIBRIA; REACTING MATERIALS; THERMODYNAMICS; DIFFUSION; MIXTURES; RESIN AB Polyimides, due to their superior mechanical behavior at high temperatures, are used in a variety of applications that include aerospace, automobile and electronic packaging industries, as matrices for composites, as adhesives etc. In this paper, we extend our previous model in S. Karra and K. Rajagopal (Mech. Mater. 43(1):54-61, 2011), to include thermo-oxidative degradation of these high temperature polyimides. Appropriate forms for the Helmholtz potential and the rate of dissipation are chosen to describe the degradation. The results for a specific boundary value problem, using our model, compares well with the experimental creep data for PMR-15 resin that is aged in air. C1 [Karra, Satish; Rajagopal, K. R.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. RP Karra, S (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, Computat Earth Sci Grp, MS T003, Los Alamos, NM 87545 USA. EM satkarra@lanl.gov; krajagopal@tamu.edu OI Karra, Satish/0000-0001-7847-6293 FU AFOSR/AFRL FX The authors thank AFOSR/AFRL for supporting this work. Part of this work was done when Satish Karra was appointed as a lecturer during his Ph.D. by the Department of Mechanical Engineering at Texas A&M University. He appreciates this support by the department. NR 27 TC 5 Z9 5 U1 2 U2 15 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1385-2000 J9 MECH TIME-DEPEND MAT JI Mech. Time-Depend. Mater. PD AUG PY 2012 VL 16 IS 3 BP 329 EP 342 DI 10.1007/s11043-011-9165-6 PG 14 WC Mechanics; Materials Science, Characterization & Testing SC Mechanics; Materials Science GA 989JD UT WOS:000307555200007 ER PT J AU Tomasi, D Volkow, ND AF Tomasi, D. Volkow, N. D. TI Resting functional connectivity of language networks: characterization and reproducibility SO MOLECULAR PSYCHIATRY LA English DT Article DE connectivity; fMRI; gender; laterality; modularity; speech ID HUMAN CEREBRAL-CORTEX; HUMAN BRAIN; SEX-DIFFERENCES; COMPREHENSION; ASYMMETRIES; VARIANTS; BEHAVIOR; NUCLEUS; ANATOMY; GENDER AB The neural basis of language comprehension and production has been associated with superior temporal (Wernicke's) and inferior frontal (Broca's) cortical areas, respectively. However, recent resting-state functional connectivity (RSFC) and lesion studies have implicated a more extended network in language processing. Using a large RSFC data set from 970 healthy subjects and seed regions in Broca's and Wernicke's, we recapitulate this extended network that includes not only adjoining prefrontal, temporal and parietal regions but also bilateral caudate and left putamen/globus pallidus and subthalamic nucleus. We also show that the language network has predominance of short-range functional connectivity (except posterior Wernicke's area that exhibited predominant long-range connectivity), which is consistent with reliance on local processing. Predominantly, long-range connectivity was left lateralized (except anterior Wernicke's area that exhibited rightward lateralization). The language network also exhibited anti-correlated activity with auditory (only for Wernicke's area) and visual cortices that suggests integrated sequential activity with regions involved with listening or reading words. Assessment of the intra-subject's reproducibility of this network and its characterization in individuals with language dysfunction is required to determine its potential as a biomarker for language disorders. Molecular Psychiatry (2012) 17, 841-854; doi:10.1038/mp.2011.177; published online 3 January 2012 C1 [Tomasi, D.; Volkow, N. D.] Brookhaven Natl Lab, Dept Med, Lab Neuroimaging LNI NIAAA, NIAAA, Upton, NY 11973 USA. [Volkow, N. D.] NIDA, Bethesda, MD 20892 USA. RP Tomasi, D (reprint author), Brookhaven Natl Lab, Dept Med, Lab Neuroimaging LNI NIAAA, NIAAA, Bldg 490,30 Bell Ave, Upton, NY 11973 USA. EM tomasi@bnl.gov RI Tomasi, Dardo/J-2127-2015 FU National Institutes of Alcohol Abuse and Alcoholism [2RO1AA09481] FX We are very grateful to Olaf Sporns for assistance during computation of the modularity of the language network with the Brain Connectivity Toolbox. This study was accomplished with support from the National Institutes of Alcohol Abuse and Alcoholism (2RO1AA09481). NR 66 TC 62 Z9 64 U1 7 U2 45 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1359-4184 J9 MOL PSYCHIATR JI Mol. Psychiatr. PD AUG PY 2012 VL 17 IS 8 BP 841 EP 854 DI 10.1038/mp.2011.177 PG 14 WC Biochemistry & Molecular Biology; Neurosciences; Psychiatry SC Biochemistry & Molecular Biology; Neurosciences & Neurology; Psychiatry GA 978QP UT WOS:000306760600008 PM 22212597 ER PT J AU Zeng, HL Dai, JF Yao, W Xiao, D Cui, XD AF Zeng, Hualing Dai, Junfeng Yao, Wang Xiao, Di Cui, Xiaodong TI Valley polarization in MoS2 monolayers by optical pumping SO NATURE NANOTECHNOLOGY LA English DT Article ID LATTICE-DYNAMICS; GRAPHENE; PHOTOLUMINESCENCE; SPINTRONICS; ELECTRONICS; FIELD AB Most electronic devices exploit the electric charge of electrons, but it is also possible to build devices that rely on other properties of electrons. Spintronic devices, for example, make use of the spin of electrons(1,2). Valleytronics is a more recent development that relies on the fact that the conduction bands of some materials have two or more minima at equal energies but at different positions in momentum space(3-5). To make a valleytronic device it is necessary to control the number of electrons in these valleys, thereby producing a valley polarization(6-11). Single-layer MoS2 is a promising material for valleytronics because both the conduction and valence band edges have two energy-degenerate valleys at the corners of the first Brillouin zone(12). Here, we demonstrate that optical pumping with circularly polarized light can achieve a valley polarization of 30% in pristine monolayer MoS2. Our results, and similar results by Mak et al.(13), demonstrate the viability of optical valley control and valley-based electronic and optoelectronic applications in MoS2 monolayers. C1 [Zeng, Hualing; Dai, Junfeng; Yao, Wang; Cui, Xiaodong] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. [Dai, Junfeng] S Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China. [Yao, Wang] Univ Hong Kong, Ctr Theoret & Computat Phys, Hong Kong, Hong Kong, Peoples R China. [Xiao, Di] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Cui, XD (reprint author), Univ Hong Kong, Dept Phys, Pokfulam Rd, Hong Kong, Hong Kong, Peoples R China. EM xdcui@hku.hk RI Xiao, Di/B-1830-2008; Cui, Xiaodong/C-2023-2009; Yao, Wang/C-1353-2008; Zeng, Hualing/J-4411-2014 OI Xiao, Di/0000-0003-0165-6848; Cui, Xiaodong/0000-0002-2013-8336; Yao, Wang/0000-0003-2883-4528; FU Research Grant Council [HKU10/CRF/08, HKU701810P, HKU706412P]; University Grant Council government of HKSAR [AoE/P-04/08, SEG_CUHK06]; US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX The authors thank Bairen Zhu, Lu Xie, Dongmei Deng, J.Q. Ning, C. C. Zheng and S.J. Xu for technical assistance. H.Z., J.D., X. C. and W.Y. were supported by the Research Grant Council (HKU10/CRF/08, HKU701810P, HKU706412P) and the University Grant Council (AoE/P-04/08 and SEG_CUHK06) of the government of HKSAR. D. X. was supported by the US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. NR 23 TC 1000 Z9 1006 U1 97 U2 714 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD AUG PY 2012 VL 7 IS 8 BP 490 EP 493 DI 10.1038/NNANO.2012.95 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 986QR UT WOS:000307359600006 PM 22706701 ER PT J AU Reber, TJ Plumb, NC Sun, Z Cao, Y Wang, Q McElroy, K Iwasawa, H Arita, M Wen, JS Xu, ZJ Gu, G Yoshida, Y Eisaki, H Aiura, Y Dessau, DS AF Reber, T. J. Plumb, N. C. Sun, Z. Cao, Y. Wang, Q. McElroy, K. Iwasawa, H. Arita, M. Wen, J. S. Xu, Z. J. Gu, G. Yoshida, Y. Eisaki, H. Aiura, Y. Dessau, D. S. TI The origin and non-quasiparticle nature of Fermi arcs in Bi2Sr2CaCu2O8+delta SO NATURE PHYSICS LA English DT Article ID ANGLE-RESOLVED PHOTOEMISSION; T-C SUPERCONDUCTOR; NORMAL-STATE; GAP; SURFACE; TRANSITION; PSEUDOGAP; PHASE AB A Fermi arc(1,2) is a disconnected segment of a Fermi surface observed in the pseudogap phase(3,4) of cuprate superconductors. This simple description belies the fundamental inconsistency in the physics of Fermi arcs, specifically that such segments violate the topological integrity of the band(5). Efforts to resolve this contradiction of experiment and theory have focused on connecting the ends of the Fermi arc back on itself to form a pocket, with limited and controversial success(6-9). Here we show the Fermi arc, although composed of real spectral weight, lacks the quasiparticles to be a true Fermi surface(5). To reach this conclusion we developed a new photoemission-based technique that directly probes the interplay of pair-forming and pair-breaking processes with unprecedented precision. We find the spectral weight composing the Fermi arc is shifted from the gap edge to the Fermi energy by pair-breaking processes(10). Although real, this weight does not form a true Fermi surface, because the quasiparticles, although significantly broadened, remain at the gap edge. This non-quasiparticle weight may account for much of the unexplained behaviour of the pseudogap phase of the cuprates. C1 [Reber, T. J.; Plumb, N. C.; Sun, Z.; Cao, Y.; Wang, Q.; McElroy, K.; Dessau, D. S.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Iwasawa, H.; Arita, M.] Hiroshima Univ, Hiroshima Synchrotron Radiat Ctr, Hiroshima 7390046, Japan. [Wen, J. S.; Xu, Z. J.; Gu, G.] Brookhaven Natl Labs, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Yoshida, Y.; Eisaki, H.; Aiura, Y.] AIST, Tsukuba, Ibaraki 3058568, Japan. RP Dessau, DS (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. EM Dessau@Colorado.edu RI Wen, Jinsheng/F-4209-2010; Wang, Qiang/K-3807-2012; xu, zhijun/A-3264-2013; mcelroy, kyle/D-1816-2013; Plumb, Nicholas/B-8059-2013 OI Wen, Jinsheng/0000-0001-5864-1466; xu, zhijun/0000-0001-7486-2015; Plumb, Nicholas/0000-0002-2334-8494 FU DOE Grant (Colorado) [DE-FG02-03ER46066]; DOE Grant (Brookhaven) [DE-AC02-98CH10886]; National Science Foundation EUV Engineering Research Center; Kakenhi [10015981, 19340105]; [09-A-48] FX We thank G. Arnold, A. Balatsky, I. Mazin, T. Senthil and M. Hermele for valuable conversations and D. H. Lu and R. G. Moore for help at the Stanford Synchrotron Radiation Laboratory (SSRL). SSRL is operated by the Department of Energy, Office of Basic Energy Sciences. ARPES experiments at the Hiroshima Synchrotron Radiation Center were performed under proposal 09-A-48. Funding for this research was provided by DOE Grant No. DE-FG02-03ER46066 (Colorado) and DE-AC02-98CH10886 (Brookhaven) with partial support from the National Science Foundation EUV Engineering Research Center and from Kakenhi (10015981 and 19340105). NR 33 TC 35 Z9 35 U1 2 U2 57 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 AUG PY 2012 VL 8 IS 8 BP 606 EP 610 DI 10.1038/NPHYS2352 PG 5 WC Physics, Multidisciplinary SC Physics GA 984WP UT WOS:000307223900012 ER PT J AU Xu, SY Neupane, M Liu, C Zhang, DM Richardella, A Wray, LA Alidoust, N Leandersson, M Balasubramanian, T Sanchez-Barriga, J Rader, O Landolt, G Slomski, B Dil, JH Osterwalder, J Chang, TR Jeng, HT Lin, H Bansil, A Samarth, N Hasan, MZ AF Xu, Su-Yang Neupane, Madhab Liu, Chang Zhang, Duming Richardella, Anthony Wray, L. Andrew Alidoust, Nasser Leandersson, Mats Balasubramanian, Thiagarajan Sanchez-Barriga, Jaime Rader, Oliver Landolt, Gabriel Slomski, Bartosz Dil, Jan Hugo Osterwalder, Juerg Chang, Tay-Rong Jeng, Horng-Tay Lin, Hsin Bansil, Arun Samarth, Nitin Hasan, M. Zahid TI Hedgehog spin texture and Berry's phase tuning in a magnetic topological insulator SO NATURE PHYSICS LA English DT Article ID DIRAC FERMIONS; SURFACE; TRANSITION AB Understanding and control of spin degrees of freedom on the surfaces of topological materials are key to future applications as well as for realizing novel physics such as the axion electrodynamics associated with time-reversal (TR) symmetry breaking on the surface. We experimentally demonstrate magnetically induced spin reorientation phenomena simultaneous with a Dirac-metal to gapped-insulator transition on the surfaces of manganese-doped Bi2Se3 thin films. The resulting electronic groundstate exhibits unique hedgehog-like spin textures at low energies, which directly demonstrate the mechanics of TR symmetry breaking on the surface. We further show that an insulating gap induced by quantum tunnelling between surfaces exhibits spin texture modulation at low energies but respects TR invariance. These spin phenomena and the control of their Fermi surface geometrical phase first demonstrated in our experiments pave the way for the future realization of many predicted exotic magnetic phenomena of topological origin. C1 [Xu, Su-Yang; Neupane, Madhab; Liu, Chang; Wray, L. Andrew; Alidoust, Nasser; Hasan, M. Zahid] Princeton Univ, Dept Phys, Joseph Henry Lab, Princeton, NJ 08544 USA. [Zhang, Duming; Richardella, Anthony; Samarth, Nitin] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Wray, L. Andrew] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94305 USA. [Leandersson, Mats; Balasubramanian, Thiagarajan] Lund Univ, Max Lab, S-22100 Lund, Sweden. [Sanchez-Barriga, Jaime; Rader, Oliver] Elektronenspeicherring BESSY II, Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany. [Landolt, Gabriel; Slomski, Bartosz; Dil, Jan Hugo] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Landolt, Gabriel; Slomski, Bartosz; Dil, Jan Hugo; Osterwalder, Juerg] Univ Zurich Irchel, Inst Phys, CH-8057 Zurich, Switzerland. [Chang, Tay-Rong; Jeng, Horng-Tay] Natl Tsing Hua Univ, Dept Phys, Hsinchu 30013, Taiwan. [Jeng, Horng-Tay] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Lin, Hsin; Bansil, Arun] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Hasan, M. Zahid] Princeton Univ, Princeton Ctr Complex Mat, Princeton Inst Sci & Technol Mat, Princeton, NJ 08544 USA. RP Hasan, MZ (reprint author), Princeton Univ, Dept Phys, Joseph Henry Lab, Princeton, NJ 08544 USA. EM mzhasan@princeton.edu RI HASAN, M. Zahid/D-8237-2012; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Samarth, Nitin/C-4475-2014; Dil, Hugo/F-6995-2012; Chang, Tay-Rong/K-3943-2015; Lin, Hsin/F-9568-2012 OI Rader, Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700; Samarth, Nitin/0000-0003-2599-346X; Dil, Hugo/0000-0002-6016-6120; Chang, Tay-Rong/0000-0003-1222-2527; Lin, Hsin/0000-0002-4688-2315 FU US National Science Foundation Grant [NSF-DMR-1006492]; A. P. Sloan Foundation; Swedish Research Council; Knut and Alice Wallenberg Foundation; Swiss Light Source; Swiss National Science Foundation; German Federal Ministry of Education and Research; Basic Energy Sciences of the US Department of Energy; US Department of Energy [DE-FG02-07ER46352, AC03-76SF00098]; National Science Council; Academia Sinica in Taiwan; US DARPA [N66001-11-1-4110]; US DOE; [NSF-DMR-0819860]; [DE-FG02-05ER46200] FX Work at Princeton University is supported by the US National Science Foundation Grant, NSF-DMR-1006492. M.Z.H. acknowledges visiting-scientist support from Lawrence Berkeley National Laboratory and additional partial support from the A. P. Sloan Foundation and NSF-DMR-0819860. The spin-resolved and spin-integrated photoemission measurements using synchrotron X-ray facilities are supported by the Swedish Research Council, the Knut and Alice Wallenberg Foundation, the Swiss Light Source, the Swiss National Science Foundation, the German Federal Ministry of Education and Research, and the Basic Energy Sciences of the US Department of Energy. Theoretical computations are supported by the US Department of Energy (DE-FG02-07ER46352 and AC03-76SF00098) as well as the National Science Council and Academia Sinica in Taiwan, and benefited from the allocation of supercomputer time at NERSC and Northeastern University's Advanced Scientific Computation Center. Sample growth and characterization are supported by US DARPA (N66001-11-1-4110). We gratefully acknowledge A. Preobrajenski for beamline assistance on XMCD measurements (supported by DE-FG02-05ER46200) at the D1011 beamline at Maxlab in Lund, Sweden. We acknowledge helpful discussions with S-Q. Shen and L. Balents. We also thank S-K. Mo and A. Fedorov for beamline assistance on spin-integrated photoemission measurements (supported by DE-FG02-05ER46200) at Lawrence Berkeley National Laboratory (The synchrotron facility is supported by the US DOE). NR 32 TC 154 Z9 156 U1 10 U2 115 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 AUG PY 2012 VL 8 IS 8 BP 616 EP 622 DI 10.1038/NPHYS2351 PG 7 WC Physics, Multidisciplinary SC Physics GA 984WP UT WOS:000307223900014 ER PT J AU Howgate, JD Hofstetter, M Schoell, SJ Schmid, M Schafer, S Zizak, I Hable, V Greubel, C Dollinger, G Thalhammer, S Stutzmann, M Sharp, ID AF Howgate, J. D. Hofstetter, M. Schoell, S. J. Schmid, M. Schaefer, S. Zizak, I. Hable, V. Greubel, C. Dollinger, G. Thalhammer, S. Stutzmann, M. Sharp, I. D. TI Ultrahigh gain AlGaN/GaN high energy radiation detectors SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article DE detectors; dosimeter; GaN; HEMTs; ionizing radiation ID ELECTRON-MOBILITY TRANSISTORS; ULTRAVIOLET DETECTORS; GAN; MECHANISMS; DC AB Due to its remarkable tolerance to high energy ionizing radiation, GaN has recently attracted attention as a promising material for dosimetry applications. However, materials issues that lead to persistent photoconductivity, poor sensitivity, and requirements for large operational voltages have been hurdles to realization of the full potential of this material. Here we demonstrate that the introduction of a two-dimensional electron gas channel, through the addition of AlGaN/GaN heterointerfaces, can be used to create intrinsic amplification of the number of electrons that can be collected from single ionization events, yielding exceptionally large sensitivities in ultralow dose rate regimes. Furthermore, anomalous photo-responses, which severely limit response times of GaN-based devices, can be eliminated using these heterostructures. Measurements using focused monochromatic synchrotron radiation at 120?keV, as well as focused 20?MeV protons, reveal that these devices provide the capability for high sensitivity and resolution real time monitoring, which is competitive with and complementary to state-of-the-art detectors. Therefore, AlGaN/GaN heterostructure devices are extremely promising for future applications in fields ranging from high energy physics to medical imaging. C1 [Howgate, J. D.; Schoell, S. J.; Schaefer, S.; Stutzmann, M.; Sharp, I. D.] Tech Univ Munich, Walter Schottky Inst, D-85748 Garching, Germany. [Howgate, J. D.; Schoell, S. J.; Schaefer, S.; Stutzmann, M.; Sharp, I. D.] Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. [Hofstetter, M.; Schmid, M.; Thalhammer, S.] Helmholtz Zentrum Munchen, D-85764 Neuherberg, Germany. [Zizak, I.] Helmholtz Zentrum Berlin, D-12489 Berlin, Germany. [Hable, V.; Greubel, C.; Dollinger, G.] Inst Angew Phys & Messtech LRT2, D-85577 Neubiberg, Germany. RP Sharp, ID (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM idsharp@lbl.gov RI Zizak, Ivo/A-4661-2010; Thalhammer, Stefan/C-1031-2011; Sharp, Ian/I-6163-2015; Stutzmann, Martin/B-1480-2012; OI Zizak, Ivo/0000-0002-5959-0995; Sharp, Ian/0000-0001-5238-7487; Stutzmann, Martin/0000-0002-0068-3505 FU German Excellence Initiative via the Nanosystems Initiative Munich (NIM); Deutsche Forschungsgemeinschaft (DFG) [EI 518/5-1]; Technische Universitat Munchen - Institute for Advanced Study; German Excellence Initiative FX We acknowledge the financial support of German Excellence Initiative via the Nanosystems Initiative Munich (NIM) and the Deutsche Forschungsgemeinschaft (DFG, EI 518/5-1). I. D. S. and S. J. S. acknowledge the support of the Technische Universitat Munchen - Institute for Advanced Study, funded by the German Excellence Initiative. We also acknowledge: the Helmholtz-Zentrum Berlin - Electron storage ring BESSY II for provision of synchrotron radiation and the Maier-Leibnitz Laboratorium for access to tandem accelerator time. We are grateful for the assistance of R. Mayer, L. Mora, and G. Riedl from E26 of the Technische Universitat Munchen with the deposition of SiO2. NR 26 TC 2 Z9 2 U1 1 U2 35 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1862-6300 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD AUG PY 2012 VL 209 IS 8 BP 1562 EP 1567 DI 10.1002/pssa.201228097 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 989GP UT WOS:000307548600025 ER PT J AU Mulvihill, MS Kwon, YW Lee, S Fang, LT Choi, H Ray, R Kang, HC Mao, JH Jablons, D Kim, IJ AF Mulvihill, Michael S. Kwon, Yong-Won Lee, Sharon Fang, Li Tai Choi, Helen Ray, Roshni Kang, Hio Chung Mao, Jian-Hua Jablons, David Kim, Il-Jin TI Gremlin is Overexpressed in Lung Adenocarcinoma and Increases Cell Growth and Proliferation in Normal Lung Cells SO PLOS ONE LA English DT Article ID BONE MORPHOGENETIC PROTEIN-2; ANTAGONIST GREMLIN; GENE-EXPRESSION; TUMOR-GROWTH; CANCER; LIMB; DRM/GREMLIN; IDENTIFICATION; CARCINOMAS; ONCOGENES AB Background: Gremlin, a member of the Dan family of BMP antagonists, is a glycosylated extracellular protein. Previously Gremlin has been shown to play a role in dorsal-ventral patterning, in tissue remodeling, and recently in angiogenesis. Evidence has previously been presented showing both over-and under-expression of Gremlin in different tumor tissues. Here, we sought to quantify expression of Gremlin in cancers of the lung and performed in vitro experiments to check whether Gremlin promotes cell growth and proliferation. Methodology/Principal Findings: Expression of Gremlin in 161 matched tumor and normal lung cancer specimens is quantified by quantitative real-time PCR and protein level is measured by immunohistochemistry. GREM1 was transfected into lung fibroblast and epithelial cell lines to assess the impact of overexpression of Gremlin in vitro. Results: Lung adenocarcinoma but not squamous cell carcinoma shows a significant increase in Gremlin expression by mRNA and protein level. Lung fibroblast and epithelial cell lines transfected with GREM1 show significantly increased cell proliferation. Conclusions/Significance: Our data suggest that Gremlin acts in an oncogenic manner in lung adenocarcinoma and could hold promise as a new diagnostic marker or potential therapeutic target in lung AD or general thoracic malignancies. C1 [Mulvihill, Michael S.; Lee, Sharon; Fang, Li Tai; Choi, Helen; Ray, Roshni; Jablons, David; Kim, Il-Jin] Univ Calif San Francisco, Dept Surg, Thorac Oncol Lab, San Francisco, CA 94143 USA. [Choi, Helen; Kang, Hio Chung; Jablons, David; Kim, Il-Jin] Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94143 USA. [Kwon, Yong-Won; Mao, Jian-Hua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Mulvihill, MS (reprint author), Univ Calif San Francisco, Dept Surg, Thorac Oncol Lab, San Francisco, CA 94143 USA. EM David.Jablons@ucsfmedctr.org; kimij@cc.ucsf.edu OI Ricchetti, Roshni/0000-0002-1969-1046; Mulvihill, Michael/0000-0002-8122-1483; Fang, Li Tai/0000-0003-3201-5162 FU Barbara Isackson Lung Cancer Research Fund; The Eileen D. Ludwig Endowed Fund for Thoracic Oncology Research FX This work was supported by the Barbara Isackson Lung Cancer Research Fund, and The Eileen D. Ludwig Endowed Fund for Thoracic Oncology Research. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 40 TC 15 Z9 15 U1 0 U2 5 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD AUG 1 PY 2012 VL 7 IS 8 AR e42264 DI 10.1371/journal.pone.0042264 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 984SU UT WOS:000307212800074 PM 22870311 ER PT J AU Hasanbeigi, A Price, L AF Hasanbeigi, Ali Price, Lynn TI A review of energy use and energy efficiency technologies for the textile industry SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Energy use; Energy-efficiency technology; Textile industry AB The textile industry is a complicated manufacturing industry because it is a fragmented and heterogeneous sector dominated by small and medium enterprises (SMEs). There are various energy-efficiency opportunities that exist in every textile plant. However, even cost-effective options often are not implemented in textile plants mostly because of limited information on how to implement energy-efficiency measures. Know-how on energy-efficiency technologies and practices should, therefore, be prepared and disseminated to textile plants. This paper provides information on the energy use and energy-efficiency technologies and measures applicable to the textile industry. The paper includes case studies from textile plants around the world and includes energy savings and cost information when available. A total of 184 energy efficiency measures applicable to the textile industry are introduced in this paper. Also, the paper gives a brief overview of the textile industry around the world. An analysis of the type and the share of energy used in different textile processes is also included in the paper. Subsequently, energy-efficiency improvement opportunities available within some of the major textile sub-sectors are given with a brief explanation of each measure. This paper shows that a large number of energy efficiency measures exist for the textile industry and most of them have a low simple payback period. Published by Elsevier Ltd. C1 [Hasanbeigi, Ali; Price, Lynn] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, China Energy Grp, Environm Energy Technol Div,Energy Anal Dept, Berkeley, CA 94720 USA. RP Hasanbeigi, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, China Energy Grp, Environm Energy Technol Div,Energy Anal Dept, 1 Cyclotron Rd,MS 90R4000, Berkeley, CA 94720 USA. EM AHasanbeigi@lbl.gov FU China Sustainable Energy Program of the Energy Foundation through the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the China Sustainable Energy Program of the Energy Foundation through the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors are grateful to Ernst Worrell from Utrecht University, Linda Greer from Natural Resources Defense Council (NRDC), and Martin Adelaar and Henri Van Rensburg from Marbek Resource Consultants for their insightful comments on this paper. The authors are also thankful to Christopher Williams for editing the English of this paper and Hongyou Lu for assisting in the preparation of this paper. NR 123 TC 31 Z9 31 U1 3 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD AUG PY 2012 VL 16 IS 6 BP 3648 EP 3665 DI 10.1016/j.rser.2012.03.029 PG 18 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA 979YL UT WOS:000306860700010 ER PT J AU Li, Y Yu, YH AF Li, Ye Yu, Yi-Hsiang TI A synthesis of numerical methods for modeling wave energy converter-point absorbers SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Wave energy converter; Wave theory; Point absorber; Numerical modeling; Wave-body interaction; Computational fluid dynamics ID BOUNDARY-ELEMENT METHOD; STEEP SURFACE-WAVES; OFFSHORE STRUCTURES; POWER ABSORPTION; IRREGULAR WAVES; WATER DEPTH; DIFFRACTION; DEVICE; BODIES; FLOW AB During the past few decades, wave energy has received significant attention for harnessing ocean energy. Industry has proposed many technologies and, based on their working principle, these technologies generally can be categorized into oscillating water columns, point absorbers, overtopping systems, and bottom-hinged systems. In particular, many researchers have focused on modeling the point absorber, which is thought to be the most cost-efficient technology to extract wave energy. To model such devices, several modeling methods have been used such as analytical methods, boundary integral equation methods and Navier-Stokes equation methods. The first two are generally combined with the use of empirical solution to represent the viscous damping effect, while the last one is directly included in the solution. To assist the development of wave energy conversion (WEC) technologies, this paper extensively reviews the methods for modeling point absorbers. (c) 2012 Published by Elsevier Ltd. C1 [Li, Ye; Yu, Yi-Hsiang] Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO 80901 USA. RP Li, Y (reprint author), Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO 80901 USA. EM ye.li@nrel.gov FU U.S. Department of Energy's Wind and Water Power Program [20067] FX We would like to acknowledge the U.S. Department of Energy's Wind and Water Power Program for funding this work under the funding agreement of 20067. NR 121 TC 31 Z9 34 U1 7 U2 48 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD AUG PY 2012 VL 16 IS 6 BP 4352 EP 4364 DI 10.1016/j.rser.2011.11.008 PG 13 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA 979YL UT WOS:000306860700070 ER PT J AU Zhou, Y Chowdhury, M Wang, KC Ma, YC AF Zhou, Yan Chowdhury, Mashrur Wang, Kuang-Ching Ma, Yongchang TI Development of a multi-step analysis method for evaluating wireless traffic surveillance network performance under adverse conditions and relay network topology using a communication network simulator SO SIMULATION-TRANSACTIONS OF THE SOCIETY FOR MODELING AND SIMULATION INTERNATIONAL LA English DT Article DE environmental impacts; error rate; saturated throughput; wireless traffic surveillance network AB Rapid advances in wireless communication hold much promise for improving transportation management to enhance traffic safety and mobility. To support online traffic management, wireless traffic surveillance networks have the potential to collect and relay real-time traffic information from a wide-area transportation network. However, limited research effort has been done to provide an evaluation method to assess the wireless communication performance and reliability for use in a traffic monitoring network. This paper proposed a multi-step analysis method to transportation professionals, and analyzed the performance of a wireless traffic surveillance network for online traffic surveillance using the Network Simulator Version 2 (ns-2) communication network simulator, following the proposed steps. Potential environmental disturbances, such as adverse weather, foliage, and interference, can induce transmission errors in the communication network. Following the proposed method, this study analyzed the impacts of various error rates on the selected measure of effectiveness (MOE) - data throughput and delivery ratio. The study considered wireless sensors connected to roadside controllers through multi-hop relays. A relay is used to pass data from one equipment to another when the distance between traffic sensors and controllers exceeds the wireless transmission range. Simulation results quantified the end-to-end throughput and delivery ratio dependency on the number of fixed range wireless relays and their relationship with different error rates and wireless relay ranges. The findings formed an essential foundation for systematic evaluation of the performance of a wireless traffic sensor network, utilizing a simulation analysis process, for online traffic management systems. C1 [Chowdhury, Mashrur; Wang, Kuang-Ching] Clemson Univ, Clemson, SC 29634 USA. [Zhou, Yan] Argonne Natl Lab, Ctr Transportat Res, Argonne, IL 60439 USA. [Ma, Yongchang] IEM Inc, Morrisville, NC USA. RP Chowdhury, M (reprint author), Clemson Univ, 216 Lowry Hall, Clemson, SC 29634 USA. EM mac@clemson.edu FU South Carolina Department of Transportation, USA FX This research was funded by the South Carolina Department of Transportation, USA. NR 25 TC 1 Z9 1 U1 0 U2 6 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0037-5497 EI 1741-3133 J9 SIMUL-T SOC MOD SIM JI Simul.-Trans. Soc. Model. Simul. Int. PD AUG PY 2012 VL 88 IS 8 BP 948 EP 956 DI 10.1177/0037549711430845 PG 9 WC Computer Science, Interdisciplinary Applications; Computer Science, Software Engineering SC Computer Science GA 975KU UT WOS:000306511000005 ER PT J AU Corley, RA Kabilan, S Kuprat, AP Carson, JP Minard, KR Jacob, RE Timchalk, C Glenny, R Pipavath, S Cox, T Wallis, CD Larson, RF Fanucchi, MV Postlethwait, EM Einstein, DR AF Corley, Richard A. Kabilan, Senthil Kuprat, Andrew P. Carson, James P. Minard, Kevin R. Jacob, Richard E. Timchalk, Charles Glenny, Robb Pipavath, Sudhakar Cox, Timothy Wallis, Christopher D. Larson, Richard F. Fanucchi, Michelle V. Postlethwait, Edward M. Einstein, Daniel R. TI Comparative Computational Modeling of Airflows and Vapor Dosimetry in the Respiratory Tracts of Rat, Monkey, and Human SO TOXICOLOGICAL SCIENCES LA English DT Article DE CFD; PBPK; respiratory airflows; respiratory dosimetry; acrolein ID INHALED PARTICULATE MATTER; FLUID-DYNAMICS MODELS; MULTIPLE-PATH MODEL; PARTICLE DEPOSITION; NASAL DOSIMETRY; RISK-ASSESSMENT; HUMAN-LUNG; PHARMACOKINETIC MODEL; 3-DIMENSIONAL MODEL; AEROSOL DEPOSITION AB Computational fluid dynamics (CFD) models are useful for predicting site-specific dosimetry of airborne materials in the respiratory tract and elucidating the importance of species differences in anatomy, physiology, and breathing patterns. We improved the imaging and model development methods to the point where CFD models for the rat, monkey, and human now encompass airways from the nose or mouth to the lung. A total of 1272, 2172, and 135 pulmonary airways representing 17 +/- 7, 19 +/- 9, or 9 +/- 2 airway generations were included in the rat, monkey and human models, respectively. A CFD/physiologically based pharmacokinetic model previously developed for acrolein was adapted for these anatomically correct extended airway models. Model parameters were obtained from the literature or measured directly. Airflow and acrolein uptake patterns were determined under steady-state inhalation conditions to provide direct comparisons with prior data and nasal-only simulations. Results confirmed that regional uptake was sensitive to airway geometry, airflow rates, acrolein concentrations, air:tissue partition coefficients, tissue thickness, and the maximum rate of metabolism. Nasal extraction efficiencies were predicted to be greatest in the rat, followed by the monkey, and then the human. For both nasal and oral breathing modes in humans, higher uptake rates were predicted for lower tracheobronchial tissues than either the rat or monkey. These extended airway models provide a unique foundation for comparing material transport and site-specific tissue uptake across a significantly greater range of conducting airways in the rat, monkey, and human than prior CFD models. C1 [Corley, Richard A.; Kabilan, Senthil; Kuprat, Andrew P.; Carson, James P.; Minard, Kevin R.; Jacob, Richard E.; Timchalk, Charles; Einstein, Daniel R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Glenny, Robb; Pipavath, Sudhakar; Cox, Timothy] Univ Washington, Seattle, WA 98195 USA. [Wallis, Christopher D.; Larson, Richard F.] Univ Calif Davis, Davis, CA 95616 USA. [Fanucchi, Michelle V.; Postlethwait, Edward M.] Univ Alabama Birmingham, Birmingham, AL 35294 USA. RP Corley, RA (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-59, Richland, WA 99352 USA. EM rick.corley@pnnl.gov OI Kuprat, Andrew/0000-0003-4159-918X FU National Heart, Lung, and Blood Institute of the National Institutes of Health [NHLBI R01 HL073598]; National Institute of Environmental Health Sciences of the National Institutes of Health [NIEHS P01 ES011617]; Battelle [56296]; Department of Energy's Office of Biological and Environmental Research; PNNL Institutional Computing (PIC) Facilities at the Pacific Northwest National Laboratory FX All imaging, CFD model development, and comparative airflow simulations were supported by grants from the National Heart, Lung, and Blood Institute (NHLBI R01 HL073598) and the National Institute of Environmental Health Sciences (NIEHS P01 ES011617) of the National Institutes of Health. Acrolein-specific simulations were supported by R. J. Reynolds Tobacco Co. under a separate contract with Battelle (Project 56296), which involved only the coauthors Corley, Kabilan, Kuprat, and Timchalk. No author is employed by or receives personal remuneration from R.J.R., and all views expressed are those of the authors themselves and do not reflect views, policies, or control by any funding entity.; The authors are grateful to Dr Jeff Schroeter, The Hamner Institutes for Health Sciences, Research Triangle Park, NC, for his assistance in re-deriving the PBPK model parameters for acrolein used in the extended respiratory airway models. A portion of the research was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and the PNNL Institutional Computing (PIC) Facilities at the Pacific Northwest National Laboratory. NR 103 TC 46 Z9 46 U1 3 U2 32 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1096-6080 J9 TOXICOL SCI JI Toxicol. Sci. PD AUG PY 2012 VL 128 IS 2 BP 500 EP 516 DI 10.1093/toxsci/kfs168 PG 17 WC Toxicology SC Toxicology GA 991JY UT WOS:000307698500019 PM 22584687 ER PT J AU Lilova, KI Pearce, CI Gorski, C Rosso, KM Navrotsky, A AF Lilova, Kristina I. Pearce, Carolyn I. Gorski, Christopher Rosso, Kevin M. Navrotsky, Alexandra TI Thermodynamics of the magnetite-ulvospinel (Fe3O4-Fe2TiO4) solid solution SO AMERICAN MINERALOGIST LA English DT Article DE Titanomagnetite; magnetite-ulvospinel solid solution; enthalpies of mixing; calorimetry ID FE-TI-O; HIGH-TEMPERATURE CALORIMETRY; IRON-TITANIUM-OXIDES; X-RAY-DIFFRACTION; CATION DISTRIBUTION; PHASE-EQUILIBRIA; MOSSBAUER-SPECTROSCOPY; CIRCULAR-DICHROISM; CRYSTAL-STRUCTURE; SPINEL FERRITES AB The thermodynamics of mixing and its dependence on cation distribution in the Fe3O4-Fe2TiO4 (magnetite-ulvospinel) spinel solid solution were studied using high-temperature oxide melt solution calorimetry and a range of structural and spectroscopic probes. The enthalpies of formation of ilmenite and ulvospinel from the oxides and from the elements were obtained using oxidative drop solution calorimetry at 973 K in molten sodium molybdate. The enthalpy of mixing, determined from the fit to the measured enthalpies of drop solution calorimetry, is endothermic and represented by a quadratic formalism, Delta H-mix = (22.60 +/- 8.46)x(1 - x) kJ/mol, where x is the mole fraction of ulvospinel. The entropies of mixing are more complex than those for a regular solution and have been calculated based on average measured and theoretical cation distributions. Calculated free energies of mixing show evidence for a solvus at low temperature in good agreement with that observed experimentally. C1 [Lilova, Kristina I.; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. [Lilova, Kristina I.; Navrotsky, Alexandra] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. [Pearce, Carolyn I.; Rosso, Kevin M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Gorski, Christopher] Eawag, CH-8600 Dubendorf, Switzerland. RP Lilova, KI (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. EM anavrotsky@ucdavis.edu FU Pacific Northwest National Laboratory Science Focus Area (SFA) Subsurface Biogeochemical Research (SBR) Program of the U.S. Department of Energy (DOE); PNNL [DEAC02-98CH10886]; UCD [DEAC02-98CH10886]; DOE (UCD) [DEFG02-97ER14749]; DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231] FX We gratefully acknowledge support from the Pacific Northwest National Laboratory Science Focus Area (SFA) Subsurface Biogeochemical Research (SBR) Program of the U.S. Department of Energy (DOE). Calorimetry of the present system was supported by contract DEAC02-98CH10886 between PNNL and UCD. Development of a calorimetric technique for iron-bearing compounds was supported by DOE grant DEFG02-97ER14749 (UCD). We acknowledge Elke Arenholz for her assistance with XA and XMCD measurements. 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. We also acknowledge Neil Telling at Keele University, U.K., for development of the q-fit program for fitting XMCD data. We thank David Vaughan and Paul Wincott at the University of Manchester, U.K., for the Mossbauer spectroscopy. We are also very grateful to Michael Henderson at the Science and Technology Facilities Council, U.K., for his invaluable contributions to titanomagnetite synthesis. NR 86 TC 9 Z9 10 U1 4 U2 43 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD AUG-SEP PY 2012 VL 97 IS 8-9 BP 1330 EP 1338 DI 10.2138/am.2012.4076 PG 9 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 987KF UT WOS:000307415100008 ER PT J AU Farfan, G Wang, SB Ma, HW Caracas, R Mao, WL AF Farfan, Gabriela Wang, Shibing Ma, Hongwei Caracas, Razvan Mao, Wendy L. TI Bonding and structural changes in siderite at high pressure SO AMERICAN MINERALOGIST LA English DT Article DE High pressure; diamond-anvil cell; Raman spectroscopy; deep carbon cycle; siderite ID AUGMENTED-WAVE METHOD; PHASE-TRANSFORMATION; RAMAN-SPECTRA; LOWER MANTLE; DEEP EARTH; MAGNESITE; STABILITY; CARBON; MGCO3; TEMPERATURE AB Understanding the physical and chemical properties of carbonate minerals at extreme conditions is important for modeling the deep carbon cycle, because they represent likely hosts for carbon in the lower mantle. Previous high-pressure studies have identified a structural and electronic phase transition in siderite using X-ray diffraction and X-ray emission spectroscopy. The Fe end-member of the carbonate group, siderite (FeCO3), exhibits unique high-pressure behavior that we investigated using a combination of in situ Raman spectroscopy, synchrotron X-ray diffraction, and theoretical methods. In this Raman spectroscopy study, we observed the appearance of a new CO3 symmetric stretching mode at 20 cm(-1) lower frequency beginning at approximately 46 GPa. This softening is due to the lengthening of the C-O bonds as a result of a combination of rotation and volume shrinkage of the FeO6 octahedra while siderite undergoes the isostructural volume collapse and electronic spin transition. C1 [Farfan, Gabriela; Wang, Shibing; Ma, Hongwei; Mao, Wendy L.] Stanford Univ, Stanford, CA 94305 USA. [Wang, Shibing] SSRL, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Caracas, Razvan] CNRS, Ecole Normale Super Lyon, Lab Sci Terre, F-69342 Lyon, France. RP Farfan, G (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM gfarfan@stanford.edu RI Mao, Wendy/D-1885-2009; Caracas, Razvan/C-8115-2012 FU NSF [EAR-1141929]; Office of Science, Office of Basic Energy Sciences, and Materials Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231]; DOE-NNSA; DOE-BES [DE-AC02-06CH11357] FX We thank R. Jones for his assistance with the electron microprobe measurements, M. Scott for providing the siderite samples, A. Egger and S. Klemperer who organized the Stanford School of Earth Sciences Undergraduate Research Program, and Associate Editor J. Kung and the anonymous reviewers. W.L. Mao and S. Wang are supported by NSF, Geophysics Grants EAR-1141929. ALS is supported by the Office of Science, Office of Basic Energy Sciences, and Materials Sciences Division of the U.S. Department of Energy under contract DE-AC02-05CH11231. Portions of this work were also performed at HPCAT (Sector 16), which is supported by DOE-NNSA, DOE-BES, and NSF. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357. NR 29 TC 17 Z9 19 U1 1 U2 22 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD AUG-SEP PY 2012 VL 97 IS 8-9 BP 1421 EP 1426 DI 10.2138/am.2012.4001 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 987KF UT WOS:000307415100018 ER PT J AU Cygan, RT Post, JE Heaney, PJ Kubicki, JD AF Cygan, Randall T. Post, Jeffrey E. Heaney, Peter J. Kubicki, James D. TI Molecular models of birnessite and related hydrated layered minerals SO AMERICAN MINERALOGIST LA English DT Article DE Birnessite; rancieite; manganese; interlayer; water; hydration; molecular dynamics; DFT ID X-RAY-DIFFRACTION; CRYSTAL-STRUCTURE DETERMINATIONS; TOTAL-ENERGY CALCULATIONS; EFFECTIVE IONIC-RADII; AUGMENTED-WAVE METHOD; MANGANESE OXIDE; DYNAMICS SIMULATION; COMPUTER-SIMULATIONS; SYNTHETIC BIRNESSITE; SURFACE COMPLEXATION AB Birnessite and other charged layered manganese oxide minerals exhibit interlayers with variable cation-water behavior that controls many environmentally important cation exchange, adsorption, and redox processes. The occurrence of birnessite phases as fine-grained materials with corresponding high-surface areas makes them effective in controlling soil sediment and groundwater compositions, but difficult to structurally characterize using conventional analytical methods. Molecular simulations provide an alternative approach in which many details of bulk and interlayer structure can be ascertained to supplement and interpret the experimental findings. Classical and electronic structure methods are used to evaluate Na-, K-, and Ba-birnessite phases. Computational results compare favorably with structures obtained by synchrotron X-ray diffraction and difference electron Fourier mapping of the interlayer region. Based on the analysis of the 1 ns atomic trajectories, dynamics of water molecules is enhanced in the interlayer of K-birnessite relative to the limited motion of water molecules and cations in the other birnessite phases. Molecular dynamics simulations of rancieite, a complex layered manganese oxide having octahedral vacancies, indicate multiple sites for Ca2+ in the interlayer. In addition to manganese layer charge and layer structure, the hydration enthalpy for the interlayer cation affects the structure and dynamics of the interlayer in birnessite minerals. C1 [Cygan, Randall T.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Post, Jeffrey E.] Smithsonian Inst, Dept Mineral Sci, Washington, DC 20560 USA. [Heaney, Peter J.; Kubicki, James D.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. RP Cygan, RT (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA. EM rtcygan@sandia.gov RI Kubicki, James/I-1843-2012 OI Kubicki, James/0000-0002-9277-9044 FU Geosciences Research Program of the U.S. Department of Energy, Office of Basic Energy Sciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; NSF [EAR07-45374]; Center for Environmental Kinetics (CEKA), an NSF-DOE environmental molecular sciences institute [CHE-0431328] FX The authors acknowledge the expertise of Justin Durkin in the analysis of the many gigabytes of data associated with the MD trajectories. The senior author is grateful for the funding and long-term support provided by the Geosciences Research Program of the U.S. Department of Energy, Office of Basic Energy Sciences. 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. Jeffrey Post and Peter Heaney were supported by funds from NSF grant EAR07-45374. James Kubicki was supported by the Center for Environmental Kinetics (CEKA, CHE-0431328), an NSF-DOE environmental molecular sciences institute. Computational support for DFT calculations was provided by CEKA and the Research and Cyberinfrastructure Center at The Pennsylvania State University. NR 63 TC 12 Z9 12 U1 9 U2 65 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD AUG-SEP PY 2012 VL 97 IS 8-9 BP 1505 EP 1514 DI 10.2138/am.2012.3957 PG 10 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 987KF UT WOS:000307415100027 ER PT J AU Hastbacka, M Dieckmann, J Brodrick, J AF Hastbacka, Mildred Dieckmann, John Brodrick, James TI 'Smart' Irrigation Systems SO ASHRAE JOURNAL LA English DT Editorial Material C1 [Hastbacka, Mildred; Dieckmann, John] TIAX LLC, Mech Syst Grp, Lexington, MA USA. [Brodrick, James] US DOE, Bldg Technol Program, Washington, DC USA. RP Hastbacka, M (reprint author), TIAX LLC, Mech Syst Grp, Lexington, MA USA. NR 16 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD AUG PY 2012 VL 54 IS 8 BP 76 EP 79 PG 4 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 986EP UT WOS:000307324300021 ER PT J AU Mormino, EC Brandel, MG Madison, CM Marks, S Baker, SL Jagust, WJ AF Mormino, Elizabeth C. Brandel, Michael G. Madison, Cindee M. Marks, Shawn Baker, Suzanne L. Jagust, William J. TI A beta Deposition in Aging Is Associated with Increases in Brain Activation during Successful Memory Encoding SO CEREBRAL CORTEX LA English DT Article DE aging; Alzheimer's disease; beta-amyloid; episodic memory; fMRI; PIB-PET ID PITTSBURGH COMPOUND-B; EVENT-RELATED FMRI; ALZHEIMERS-DISEASE; AMYLOID DEPOSITION; COGNITIVE IMPAIRMENT; OLDER-ADULTS; HIPPOCAMPAL ACTIVATION; SUBSEQUENT MEMORY; DEFAULT NETWORK; DECLINE AB To investigate early effects of beta-amyloid (A beta) on neuronal function, elderly normal controls (NCs, age range 58-97) were scanned with Pittsburgh Compound-B (PIB) positron emission tomography (a measure of A beta) as well as functional magnetic resonance imaging (a measure of brain activation) while performing an episodic memory-encoding task of natural scenes (also performed by young NCs; age range 18-30). Relationships between Ail and activation were assessed across task-positive (regions that activate for subsequently remembered vs. forgotten scenes) and task-negative regions (regions that deactivate for subsequently remembered vs. forgotten scenes). Significant task-related activation was present in a distributed network spanning ventrolateral prefrontal, lateral occipital, lateral parietal, posterior inferior temporal cortices, and the right parahippocampal/hippocampus, whereas deactivation was present in many default mode network regions (posteromedial, medial prefrontal, and lateral temporoparietal cortices). Task-positive activation was higher in PIB+ compared with PIB- subjects, and this activation was positively correlated with memory measures in PIB+ subjects. Although task deactivation was not impaired in PIB+ NCs, deactivation was reduced in old versus young subjects and was correlated with worse task memory performance among old subjects. Overall, these results suggest that heightened activation during episodic memory encoding is present in NC elderly subjects with high A beta. C1 [Mormino, Elizabeth C.; Brandel, Michael G.; Madison, Cindee M.; Marks, Shawn; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Baker, Suzanne L.; Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Life Sci Div, Berkeley, CA 94720 USA. RP Mormino, EC (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, 132 Barker Hall,MC 3190, Berkeley, CA 94720 USA. EM bmormino@berkeley.edu FU National Institutes of Health [AG034570, AG032814]; Alzheimer's Association [ZEN-08-87090] FX National Institutes of Health (AG034570, AG032814) and Alzheimer's Association (ZEN-08-87090). NR 73 TC 38 Z9 38 U1 0 U2 9 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1047-3211 J9 CEREB CORTEX JI Cereb. Cortex PD AUG PY 2012 VL 22 IS 8 BP 1813 EP 1823 DI 10.1093/cercor/bhr255 PG 11 WC Neurosciences SC Neurosciences & Neurology GA 988JI UT WOS:000307486100009 PM 21945849 ER PT J AU Bai, S Bambade, P Wang, D Gao, J Woodley, M Masuzawa, M AF Bai Sha Bambade, P. Wang Dou Gao Jie Woodley, M. Masuzawa, M. TI Mitigating the effects of higher order multipole fields in the magnets of the Accelerator Test Facility 2 at KEK SO CHINESE PHYSICS C LA English DT Article DE ATF2; beam size; higher order multipoles; QEA magnets AB The ATF2 project is the final focus system prototype for the ILC and CLIC linear collider projects, with the purpose of reaching a 37nm vertical beam size at the interaction point. In the nanometer beam size regime, higher order multipoles in magnets become a crucial point for consideration. The strength and rotation angle of the ATF2 QEA magnets were reconstructed from the IHEP measurements and compared with the KEK ones to be identical. Based on the study of the skew multipoles sensitivity, we report on the analysis of the possible mitigation of the measured multipoles. A suggestion is given which will benefit the ATF2 present commissioning to reach the goal beam size, and also the reduced beta optics in future. C1 [Bai Sha; Wang Dou; Gao Jie] IHEP, Beijing 100049, Peoples R China. [Bambade, P.] Univ Paris 11, LAL, CNRS IN2P3, Orsay, France. [Woodley, M.] SLAC, Menlo Pk, CA USA. [Masuzawa, M.] Natl Lab High Energy Phys, KEK, Tsukuba, Ibaraki 305, Japan. RP Bai, S (reprint author), IHEP, Beijing 100049, Peoples R China. FU Nationale de la Recherche of the French Ministry of Research (Programme Blanc) [ATF2-IN2P3-KEK, ANR-06-BLAN-0027]; National Natural Science Foundation of China [11175192]; US Department of Energy [DE-AC02-76SF00515] FX Supported by Agence Nationale de la Recherche of the French Ministry of Research (Programme Blanc, Project ATF2-IN2P3-KEK, contract, ANR-06-BLAN-0027), National Natural Science Foundation of China (11175192), and support in part by the US Department of Energy (DE-AC02-76SF00515) NR 8 TC 2 Z9 2 U1 0 U2 2 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD AUG PY 2012 VL 36 IS 8 BP 756 EP 760 DI 10.1088/1674-1137/36/8/013 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 986TJ UT WOS:000307368200012 ER PT J AU Guillen, DP AF Guillen, Donna Post TI The Autoignition of Cyclopentane in an Ignition Quality Tester SO JOM LA English DT Article ID SHOCK-TUBE; CYCLOHEXANE AB Cyclopentane is a flammable hydrocarbon being considered as a working fluid for waste heat recovery applications using Organic Rankine Cycles with direct evaporators. A postulated failure mode consisting of a pinhole leak in a heat exchanger tube raises safety concerns because of autoignition of the working fluid. The ignition delay time of cyclopentane was measured using an Ignition Quality Test device (Advanced Engine Technology Ltd., Ottawa, Ontario, Canada). Hot vitiated air was used to simulate turbine exhaust gas. Experiments were conducted in accordance with ASTM D6890 (with exception to charge pressure and temperature) to determine ignition delay of the fuel at atmospheric pressure for vitiated air (13.3% oxygen). The test matrix encompassed equivalence ratios from 0.5 to 5.0 and chamber temperatures ranging from 673 K to 823 K to establish a set of ignition delay curves. The ignition delay time was observed to decrease with increasing temperature and equivalence ratio. For the cases tested, no ignition was observed at temperatures at or below 723 K or at an equivalence ratio of 0.5. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Guillen, DP (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Donna.Guillen@inl.gov RI Guillen, Donna/B-9681-2017 OI Guillen, Donna/0000-0002-7718-4608 FU U.S. Department of Energy, Energy Efficiency & Renewable Energy, Industrial Technologies Program [DE-PS36-08G098014]; agency of the United States Government FX This work was supported by the U.S. Department of Energy, Energy Efficiency & Renewable Energy, Industrial Technologies Program, under Contract No. DE-PS36-08G098014. The testing was performed by Mark Walls of SwRI. Disclaimer: This paper was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of the authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 11 TC 1 Z9 1 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD AUG PY 2012 VL 64 IS 8 BP 985 EP 989 DI 10.1007/s11837-012-0369-2 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 989BU UT WOS:000307536000015 ER PT J AU Garufi, G Hendrickx, AP Beeri, K Kern, JW Sharma, A Richter, SG Schneewind, O Missiakas, D AF Garufi, Gabriella Hendrickx, Antoni P. Beeri, Karen Kern, Justin W. Sharma, Anshika Richter, Stefan G. Schneewind, Olaf Missiakas, Dominique TI Synthesis of Lipoteichoic Acids in Bacillus anthracis SO JOURNAL OF BACTERIOLOGY LA English DT Article ID GRAM-POSITIVE BACTERIA; STAPHYLOCOCCUS-AUREUS-H; CELL-WALL POLYSACCHARIDE; TEICHOIC-ACIDS; BIOSYNTHESIS; SUBTILIS; SYNTHASE; CARRIER; PROTEIN; OPERON AB Lipoteichoic acid (LTA), a glycerol phosphate polymer, is a component of the envelope of Gram-positive bacteria that has hitherto not been identified in Bacillus anthracis, the causative agent of anthrax. LTA synthesis in Staphylococcus aureus and other microbes is catalyzed by the product of the ltaS gene, a membrane protein that polymerizes polyglycerol phosphate from phosphatidyl glycerol. Here we identified four ltaS homologues, designated ltaS1 to -4, in the genome of Bacillus anthracis. Polyglycerol phosphate-specific monoclonal antibodies were used to detect LTA in the envelope of B. anthracis strain Sterne (pXO1(+) pXO2(-)) vegetative forms. B. anthracis mutants lacking ltaS1, ltaS2, ltaS3, or ltaS4 did not display defects in growth or LTA synthesis. In contrast, B. anthracis strains lacking both ltaS1 and ltaS2 were unable to synthesize LTA and exhibited reduced viability, altered envelope morphology, aberrant separation of vegetative forms, and decreased sporulation efficiency. Expression of ItaS1 or ltaS2 alone in B. anthracis as well as in other microbes was sufficient for polyglycerol phosphate synthesis. Thus, similar to S. aureus, B. anthracis employs LtaS enzymes to synthesize LTA, an envelope component that promotes bacterial growth and cell division. C1 [Garufi, Gabriella; Sharma, Anshika; Richter, Stefan G.; Schneewind, Olaf; Missiakas, Dominique] Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA. [Garufi, Gabriella; Hendrickx, Antoni P.; Beeri, Karen; Kern, Justin W.; Richter, Stefan G.; Schneewind, Olaf; Missiakas, Dominique] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. RP Missiakas, D (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dmissiak@bsd.uchicago.edu FU Region V 'Great Lakes' Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE, NIAID) [1-U54-AI-057153]; Molecular Cell Biology Training Grant [GM007183] FX We acknowledge membership within and support from the Region V 'Great Lakes' Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE, NIAID Award 1-U54-AI-057153). J.W.K. acknowledges support from the Molecular Cell Biology Training Grant (GM007183). NR 46 TC 10 Z9 10 U1 0 U2 10 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2012 VL 194 IS 16 BP 4312 EP 4321 DI 10.1128/JB.00626-12 PG 10 WC Microbiology SC Microbiology GA 984NQ UT WOS:000307198100016 PM 22685279 ER PT J AU Kostka, JE Green, SJ Rishishwar, L Prakash, O Katz, LS Marino-Ramirez, L Jordan, IK Munk, C Ivanova, N Mikhailova, N Watson, DB Brown, SD Palumbo, AV Brooks, SC AF Kostka, Joel E. Green, Stefan J. Rishishwar, Lavanya Prakash, Om Katz, Lee S. Marino-Ramirez, Leonardo King Jordan, I. Munk, Christine Ivanova, Natalia Mikhailova, Natalia Watson, David B. Brown, Steven D. Palumbo, Anthony V. Brooks, Scott C. TI Genome Sequences for Six Rhodanobacter Strains, Isolated from Soils and the Terrestrial Subsurface, with Variable Denitrification Capabilities SO JOURNAL OF BACTERIOLOGY LA English DT Article ID SP NOV.; GAMMAPROTEOBACTERIUM; GINSENG AB We report the first genome sequences for six strains of Rhodanobacter species isolated from a variety of soil and subsurface environments. Three of these strains are capable of complete denitrification and three others are not. However, all six strains contain most of the genes required for the respiration of nitrate to gaseous nitrogen. The nondenitrifying members of the genus lack only the gene for nitrate reduction, the first step in the full denitrification pathway. The data suggest that the environmental role of bacteria from the genus Rhodanobacter should be reevaluated. C1 [Kostka, Joel E.; Rishishwar, Lavanya; King Jordan, I.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Green, Stefan J.] Univ Illinois, Res Resource Ctr, DNA Serv Facil, Chicago, IL USA. [Prakash, Om] Natl Ctr Cell Sci, Pune, Maharashtra, India. [Marino-Ramirez, Leonardo] NIH, Natl Ctr Biotechnol Informat, Bethesda, MD 20892 USA. [Katz, Lee S.] Ctr Dis Control & Prevent, Atlanta, GA USA. [Kostka, Joel E.; Marino-Ramirez, Leonardo; King Jordan, I.] PanAmer Bioinformat Inst, Santa Marta, Magdalena, Colombia. [Munk, Christine; Ivanova, Natalia; Mikhailova, Natalia] US DOE, Joint Genome Inst, Walnut Creek, CA USA. [Watson, David B.; Brooks, Scott C.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Brown, Steven D.; Palumbo, Anthony V.] 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 Palumbo, Anthony/A-4764-2011; Marino-Ramirez, Leonardo/I-5759-2013; Brooks, Scott/B-9439-2012; Brown, Steven/A-6792-2011; OI Palumbo, Anthony/0000-0002-1102-3975; Marino-Ramirez, Leonardo/0000-0002-5716-8512; Brooks, Scott/0000-0002-8437-9788; Brown, Steven/0000-0002-9281-3898; Green, Stefan/0000-0003-2781-359X; Rishishwar, Lavanya/0000-0002-2055-9392 FU Office of Science (BER), U.S. Department of Energy [DE-FG02-07ER64373, -97ER62469, -97ER64398]; Oak Ridge Integrated Field-Research Challenge; U.S. Department of Energy [DE-AC05-00OR22725]; Intramural Research Program of the NIH, NLM, NCBI; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Office of Science (BER), U.S. Department of Energy, grant numbers DE-FG02-07ER64373, -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 contract no. DE-AC05-00OR22725.; This research was supported in part by the Intramural Research Program of the NIH, NLM, NCBI.; The complete genome of Rhodanobacter denitrificans strain 2APBS1 was sequenced by the U.S. Department of Energy Joint Genome Institute, supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 17 TC 15 Z9 15 U1 2 U2 12 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2012 VL 194 IS 16 BP 4461 EP 4462 DI 10.1128/JB.00871-12 PG 2 WC Microbiology SC Microbiology GA 984NQ UT WOS:000307198100048 PM 22843592 ER PT J AU Torkzaban, S Wan, JM Tokunaga, TK Bradford, SA AF Torkzaban, Saeed Wan, Jiamin Tokunaga, Tetsu K. Bradford, Scott A. TI Impacts of bridging complexation on the transport of surface-modified nanoparticles in saturated sand SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Nanoparticles; Transport; Deposition; Bridging complexation; DLVO theory ID MODEL POROUS-MEDIA; FULLERENE NANOPARTICLES; QUARTZ SANDS; DEPOSITION; AGGREGATION; KINETICS; ADSORPTION; DETACHMENT; PARTICLES; STABILITY AB The transport of polyacrylic acid capped cadmium telluride (CdTe) quantum dots (QDs), carboxylate-modified latex (CML), and bare silica nanoparticles (NPs) was studied in packed columns at various electrolyte concentrations and cation types. The breakthrough curves (BTCs) of QDs and CML particles in acid-treated Accusand showed significant amounts of increasing deposition with 0.5, 1, and 2 mM Ca2+, but only minute deposition at 50 and 100 mM Na+. Negligible QD and CML deposition occurred at 2 mM Ca2+ in columns packed with ultrapure quartz sand that was similar in size to the Accusand. These observations are not consistent with interpretations based on Derjaguin-Landau-Verwey-Overbeek (DLVO) calculations of interaction energies. Scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis demonstrated that there were regions on the acid-treated Accusand covered with small amounts of clay that were absent on the ultrapure quartz sand. A salt cleaning method was therefore used to remove the clay from the acid-treated Accusand. The BTCs of QDs and CML in this acid + salt treated Accusand exhibited much less deposition at any given Ca2+ concentration compared to those obtained from the acid-treated sand. SEM images showed that most of the QD deposited in acid-treated Accusand occurred on clay surfaces. Unlike our results with QDs and CML, negligible deposition of bare silica NPs occurred at 5 and 10 mM Ca2+ in acid-treated Accusand. The high deposition of QDs and CML particles was therefore attributed to bridging complexation in which Ca2+ serves as a bridge between the cation exchange locations on the clay and carboxyl functional groups on the QD and CML particles, which were absent on the bare silica NPs. Our results suggest that the transport of carboxylic ligand-modified NPs may be limited in subsurface environments because of the ubiquitous presence of clay and divalent cations. (C) 2012 Elsevier B.V. All rights reserved. C1 [Torkzaban, Saeed] CSIRO, Glen Osmond, SA 5064, Australia. [Wan, Jiamin; Tokunaga, Tetsu K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bradford, Scott A.] ARS, USDA, US Salin Lab, Riverside, CA USA. RP Torkzaban, S (reprint author), CSIRO, Private Bag 2, Glen Osmond, SA 5064, Australia. EM saeed.torkzaban@csiro.au RI Torkzaban, Saeed/G-7377-2013; Tokunaga, Tetsu/H-2790-2014; Wan, Jiamin/H-6656-2014 OI Torkzaban, Saeed/0000-0002-5146-9461; Tokunaga, Tetsu/0000-0003-0861-6128; FU BER-EPA-NSF Nanoparticulate Research Program of the Office of Biological and Environmental Research, U.S. Department of Energy [DE-AC02-05CH11231] FX Funding was provided through the joint BER-EPA-NSF Nanoparticulate Research Program of the Office of Biological and Environmental Research, U.S. Department of Energy, under contract DE-AC02-05CH11231. The authors are grateful to thoughtful comments and suggestions of Drs. Benjamin Gilbert and Yongman Kim from Lawrence Berkeley National Laboratory. Dr. Martin Mulvihill from the University of California, Berkeley is thanked for providing the SEM analyses. The authors would like to thank the anonymous reviewers for their valuable comments and suggestions to improve the paper. NR 37 TC 29 Z9 29 U1 3 U2 45 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD AUG PY 2012 VL 136 BP 86 EP 95 DI 10.1016/j.jconhyd.2012.05.004 PG 10 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 987OD UT WOS:000307426000007 PM 22698948 ER PT J AU Sayer, RA Zeng, J Hsu, HH Peroulis, D Fisher, TS AF Sayer, Robert A. Zeng, Juan Hsu, Hao-Han Peroulis, Dimitrios Fisher, Timothy S. TI Thermal and Electrical Conductivities of Nanocrystalline Nickel Microbridges SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Infrared (IR) imaging; microelectromechanical systems (MEMS); nickel; resistivity; self-heating; thermal conductivity ID INTENSIFIED CCD CAMERA; THIN METALLIC-FILMS; RF-MEMS SWITCHES; CARBON NANOTUBE; RESISTIVITY; CONVECTION AB DC electrical self-heating (Joule heating) is exploited to characterize the thermal behavior of Ni microbridges. The temperature rise of the devices due to self-heating is monitored using an infrared microscope for current densities up to 10(5) A/cm(2). The obtained temperature profiles reveal significant heating at the bases of the microbridges. Simulations are performed in order to extract the thermal conductivity of the electroplated Ni thin film from the experimental data. The thermal conductivity is found to be 78.8 W/m . K or 13% less than that of bulk Ni. As current flows through the microbridges, they deflect upward, significantly changing the system response and pull-in voltage required for actuation. Additionally, the electrical resistivity and specific electrical contact resistances between themicrobridges and the anchor points are reported. The electroplated Ni is found to have an electrical resistivity of 9.7 mu Omega . cm which agrees with other values in the literature for thin-film Ni. By combining the electrical and thermal measurements, it is possible to determine the phonon and electron contributions to thermal conductivity. Although demonstrated on Ni films, this technique can be applied to any metallic film without modification. Such characterization of transport properties of constituent materials is important in the modeling of microelectromechanical systems and enables device performance to be predicted with improved accuracy. C1 [Sayer, Robert A.; Peroulis, Dimitrios; Fisher, Timothy S.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Sayer, Robert A.; Zeng, Juan; Hsu, Hao-Han; Peroulis, Dimitrios; Fisher, Timothy S.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Zeng, Juan; Hsu, Hao-Han; Peroulis, Dimitrios] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA. RP Sayer, RA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rsayer@sandia.gov; dperouli@purdue.edu; tsfisher@purdue.edu RI Sayer, Robert/F-6377-2013; Fisher, Timothy/D-8517-2011 OI Fisher, Timothy/0000-0002-8909-313X FU National Nuclear Security Administration Center for Prediction of Reliability, Integrity, and Survivability of Microsystems, U.S. Department of Energy [DE-FC52-08NA28617] FX This work was supported in part by the National Nuclear Security Administration Center for Prediction of Reliability, Integrity, and Survivability of Microsystems, U.S. Department of Energy, under Award DE-FC52-08NA28617. Subject Editor D. L. DeVoe. NR 48 TC 6 Z9 6 U1 2 U2 18 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD AUG PY 2012 VL 21 IS 4 BP 850 EP 858 DI 10.1109/JMEMS.2012.2191938 PG 9 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 983MU UT WOS:000307124200014 ER PT J AU Sutanto, J Anand, S Sridharan, A Korb, R Zhou, L Baker, MS Okandan, M Muthuswamy, J AF Sutanto, Jemmy Anand, Sindhu Sridharan, Arati Korb, Robert Zhou, Li Baker, Michael S. Okandan, Murat Muthuswamy, Jit TI Packaging and Non-Hermetic Encapsulation Technology for Flip Chip on Implantable MEMS Devices SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Actuators; biomedical microelectromechanical systems (MEMS) (bio-MEMS); flip chip; hydrophobic silicone; microactuators ID RAT CEREBRAL-CORTEX; WAFER; ACTUATORS; SEMICONDUCTOR; STRENGTH AB We report here a successful demonstration of a flip-chip packaging approach for a microelectromechanical systems (MEMS) device with in-plane movable microelectrodes implanted in a rodent brain. The flip-chip processes were carried out using a custom-made apparatus that was capable of the following: 1) creating Ag epoxy microbumps for first-level interconnect; 2) aligning the die and the glass substrate; and 3) creating non-hermetic encapsulation (NHE). The completed flip-chip package had an assembled weight of only 0.5 g significantly less than the previously designed wire-bonded package of 4.5 g. The resistance of the Ag bumps was found to be negligible. The MEMS microelectrodes were successfully tested for its mechanical movement with microactuators generating forces of 450 mu N with a displacement resolution of 8.8 mu m/step. An NHE on the front edge of the package was created by patterns of hydrophobic silicone microstructures to prevent contamination from cerebrospinal fluid while simultaneously allowing the microelectrodes to move in and out of the package boundary. The breakdown pressure of the NHE was found to be 80 cm of water, which is significantly (4.5-11 times) larger than normal human intracranial pressures. Bench top tests and in vivo tests of the MEMS flip-chip packages for up to 75 days showed reliable NHE for potential long-term implantation. C1 [Sutanto, Jemmy; Anand, Sindhu; Sridharan, Arati; Korb, Robert; Muthuswamy, Jit] Arizona State Univ, Sch Biol & Hlth Syst Engn, Tempe, AZ 85287 USA. [Zhou, Li] Arizona State Univ, Sch Elect Comp & Energy Engn, Tempe, AZ 85287 USA. [Baker, Michael S.; Okandan, Murat] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sutanto, J (reprint author), Arizona State Univ, Sch Biol & Hlth Syst Engn, Tempe, AZ 85287 USA. EM jsutanto@asu.edu; sanand8@asu.edu; asridhar@asu.edu; rtkorb@asu.edu; lzhou37@asu.edu; msbaker@sandia.gov; mokanda@sandia.gov; jit@asu.edu FU National Institutes of Health [RO1NS055312, RO1NS055312-S1] FX This work was supported by the National Institutes of Health under Grants RO1NS055312 and RO1NS055312-S1. Subject Editor H. Jiang. NR 36 TC 3 Z9 3 U1 4 U2 28 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD AUG PY 2012 VL 21 IS 4 BP 882 EP 896 DI 10.1109/JMEMS.2012.2190712 PG 15 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 983MU UT WOS:000307124200018 PM 24431925 ER PT J AU Zhang, DM Shi, SQ Pittman, CU Jiang, DP Che, W Gai, Z Howe, JY More, KL Antonyraj, A AF Zhang, Dongmao Shi, Sheldon Q. Pittman, Charles U., Jr. Jiang, Dongping Che, Wen Gai, Zheng Howe, Jane Y. More, Karren L. Antonyraj, Arockiasamy TI Versatile and biomass synthesis of iron-based nanoparticles supported on carbon matrix with high iron content and tunable reactivity SO JOURNAL OF NANOPARTICLE RESEARCH LA English DT Article DE Iron nanoparticle; Elemental iron; Iron oxide nanoparticle; Cellulose fiber; Biomass ID ZERO-VALENT IRON; ACTIVATED CARBON; AQUEOUS-SOLUTIONS; PARTICLES; GROUNDWATER; REMOVAL; NANO; DECHLORINATION; ARSENIC(III); REMEDIATION AB Iron-based nanoparticles supported on carbon (FeNPs@C) have enormous potential for environmental applications. Reported is a biomass-based method for FeNP@C synthesis that involves pyrolysis of bleached wood fiber pre-mixed with Fe3O4 nanoparticles. This method allows synthesis of iron-based nanoparticles with tunable chemical reactivity by changing the pyrolysis temperature. The FeNP@C synthesized at a pyrolysis temperature of 500 degrees C (FeNP@C-500) reacts violently (pyrophoric) when exposed to air, while FeNP@C prepared at 800 degrees C (FeNP@C-800) remains stable in ambient condition for at least 3 months. The FeNPs in FeNP@C-800 are mostly below 50 nm in diameter and are surrounded by carbon. The immediate carbon layer (within 5-15 nm radius) on the FeNPs is graphitized. Proof-of-concept environmental applications of FeNPs@C-800 were demonstrated by Rhodamine 6G and arsenate (V) removal from water. This biomass-based method provides an effective way for iron-based nanoparticle fabrication and biomass utilization. C1 [Zhang, Dongmao; Pittman, Charles U., Jr.; Jiang, Dongping] Mississippi State Univ, Dept Chem, Mississippi State, MS 39762 USA. [Shi, Sheldon Q.; Che, Wen] Univ N Texas, Denton, TX 76203 USA. [Gai, Zheng; Howe, Jane Y.; More, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Antonyraj, Arockiasamy] Mississippi State Univ, Ctr Adv Vehicular Syst, Mississippi State, MS 39762 USA. RP Zhang, DM (reprint author), Mississippi State Univ, Dept Chem, Mississippi State, MS 39762 USA. EM DZ33@msstate.edu RI Gai, Zheng/B-5327-2012; More, Karren/A-8097-2016 OI Gai, Zheng/0000-0002-6099-4559; More, Karren/0000-0001-5223-9097 FU Center for Nanophase Materials Sciences (CNMS); Shared Research Equipment (ShaRE) User Facilities at Oak Ridge National Laboratory; Office of Basic Energy Sciences, U.S. Department of Energy; NSF [EPS-0903787] FX Research supported by the Center for Nanophase Materials Sciences (CNMS) and Shared Research Equipment (ShaRE) User Facilities at Oak Ridge National Laboratory, which are both sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. D. Z is thankful for support from NSF (EPS-0903787). NR 34 TC 0 Z9 0 U1 0 U2 40 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1388-0764 EI 1572-896X J9 J NANOPART RES JI J. Nanopart. Res. PD AUG PY 2012 VL 14 IS 8 AR 1023 DI 10.1007/s11051-012-1023-1 PG 12 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 985NM UT WOS:000307273400044 ER PT J AU Yin, LH Lu, M Wielunski, L Song, WW Tan, J Lu, YC Jiang, W AF Yin, Lianghong Lu, Ming Wielunski, Leszek Song, Weiwei Tan, Jun Lu, Yicheng Jiang, Wei TI Fabrication and characterization of compact silicon oxynitride waveguides on silicon chips SO JOURNAL OF OPTICS LA English DT Article DE silicon oxynitride; optical delay lines; spiral waveguide ID PHOTONICS; MODULATOR; LASER AB We investigate silicon oxynitride (SiON) waveguides for long optical delay lines on a silicon chip. With the choice of a moderately low refractive index contrast, a balance can be achieved between compact waveguide cross-section and low loss. The material composition and refractive index are characterized by Rutherford backscattering spectrometry and ellipsometry. High-temperature annealing is performed after waveguide fabrication so as to simultaneously remove light absorbing bonds in the materials and smooth the sidewall roughness at the core-cladding interface. A meter-long SiON waveguide is demonstrated on a centimeter scale chip. C1 [Yin, Lianghong; Song, Weiwei; Tan, Jun; Lu, Yicheng; Jiang, Wei] Rutgers State Univ, Dept Elect & Comp Engn, Piscataway, NJ 08854 USA. [Lu, Ming] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Wielunski, Leszek] Rutgers State Univ, Surface Modificat Lab, Piscataway, NJ 08854 USA. [Wielunski, Leszek; Lu, Yicheng; Jiang, Wei] Rutgers State Univ, Inst Adv Mat Devices & Nanotechnol, Piscataway, NJ 08854 USA. RP Yin, LH (reprint author), GLOBALFOUNDRIES, 2070 Route 52,Mail Drop A10, Hopewell Jct, NY 12533 USA. EM wjiangnj@rci.rutgers.edu RI Jiang, Wei/D-7802-2013 FU AFOSR [FA9550-08-1-0394]; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors are grateful to Leonard C Feldman, Ryan A Integlia, and Ying Qian for helpful discussions. This work is supported in part by AFOSR grant No FA9550-08-1-0394 (G Pomrenke). This research is carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences, under contract No DE-AC02-98CH10886. NR 30 TC 1 Z9 2 U1 0 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2040-8978 J9 J OPTICS-UK JI J. Opt. PD AUG PY 2012 VL 14 IS 8 AR 085501 DI 10.1088/2040-8978/14/8/085501 PG 6 WC Optics SC Optics GA 988UK UT WOS:000307516000012 ER PT J AU Cardona, CG Tikare, V Patterson, BR Olevsky, E AF Cardona, Cristina G. Tikare, Veena Patterson, Burton R. Olevsky, Eugene TI On Sintering Stress in Complex Powder Compacts SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID NUMERICAL-SIMULATION; COPPER; INTERMEDIATE; EQUILIBRIUM; DIFFUSION; ENERGY; MODELS AB Microstructural evolution during sintering can be simulated using the Potts kinetic Monte Carlo model. This model simulates detailed evolution of the powder particles, pore shapes, neck growth, and other microstructural features with sufficient resolution over a sufficiently large compact so that interfacial energies and curvatures of a statistically representative sample of surfaces in a complex compact can be obtained from the simulations. In this work, we present a technique based on measuring curvature of surfaces to obtain sintering stress of sintering powder compacts with arbitrarily complex geometries of powder size and powder shape distributions. The method is applied to three distinct powder compacts with very different sintering behavior to obtain sintering stress for each of these cases. The sintering stress for the three simulated cases were distinct and dependent on the geometric microstructural details of the powder compacts. C1 [Cardona, Cristina G.; Tikare, Veena] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Cardona, Cristina G.; Olevsky, Eugene] San Diego State Univ, San Diego, CA 92182 USA. [Patterson, Burton R.] Univ Florida, Gainesville, FL USA. RP Tikare, V (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM vtikare@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; National Aeronautics and Space Administration, Materials Science Program [NNX10AV38G] FX The authors thank Christophe Martin of Centre National de la Recherche Scientifique for the digitized image of randomly packed mono-sized particles. 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 support of the National Aeronautics and Space Administration, Materials Science Program (Grant NNX10AV38G) is gratefully appreciated. NR 31 TC 6 Z9 6 U1 2 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD AUG PY 2012 VL 95 IS 8 SI SI BP 2372 EP 2382 DI 10.1111/j.1551-2916.2012.05164.x PG 11 WC Materials Science, Ceramics SC Materials Science GA 983EJ UT WOS:000307101000003 ER PT J AU Karakuscu, A Cologna, M Yarotski, D Won, J Francis, JSC Raj, R Uberuaga, BP AF Karakuscu, Aylin Cologna, Marco Yarotski, Dmitry Won, Jonghan Francis, John S. C. Raj, Rishi Uberuaga, Blas P. TI Defect Structure of Flash-Sintered Strontium Titanate SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID THIN-FILMS; ELECTRICAL-FIELD; CONDUCTIVITY; ZIRCONIA; OXIDES; TEMPERATURE; SENSORS; SRTIO3; GROWTH; SERIES AB Flash sintering of strontium titanate (SrTiO3) is studied at different applied fields to understand its effect on density and grain growth. In particular, the defect structure is investigated by optical and structural analysis. SrTiO3 exhibited a trend in densification opposite that of ionically or electronically conductive ceramics: as the applied voltage decreased, the density increased. Abnormal grain growth in conventionally sintered SrTiO3 is arrested by flash sintering. Interestingly, undoped SrTiO3 behaved differently than undoped Al2O3, which did not exhibit any signs of flash sintering. Previous attempts at flash sintering could only be achieved in MgO-doped Al2O3. We believe that non-stoichiometric Ruddlesden-Popper phases in SrTiO3, as indicated by ultrafast optical spectroscopy, X-ray diffraction, conductivity measurements, and transmission electron microscopy, assist flash sintering by increasing local conductivity through enhanced defect content. C1 [Karakuscu, Aylin; Won, Jonghan; Uberuaga, Blas P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Cologna, Marco; Francis, John S. C.; Raj, Rishi] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Yarotski, Dmitry] Los Alamos Natl Lab, CINT, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Karakuscu, A (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST 8, Los Alamos, NM 87545 USA. EM aylin.karakuscu@ing.unitn.it RI Yarotski, Dmitry/G-4568-2010; OI RAJ, RISHI/0000-0001-8556-9797; won, Jonghan/0000-0002-7612-1322 FU Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; Basic Energy Sciences Division of the Department of Energy [DE-FG02-07ER46403] FX This project is supported by Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number 2008LANL1026; Mike Nastasi, PI and by the Basic Energy Sciences Division of the Department of Energy under Grant no.: DE-FG02-07ER46403. Authors would like to thank to Yongqiang Wang (IBML-LANL) for PIXE measurements. We are also grateful to Darrick Williams and Mujin Zhuo(CINT-LANL); and Kurt Sickafus, James Valdez, Maulik Patel and Ellen Cerreta (MST-8, LANL) for their efforts and time. NR 24 TC 45 Z9 45 U1 15 U2 86 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD AUG PY 2012 VL 95 IS 8 SI SI BP 2531 EP 2536 DI 10.1111/j.1551-2916.2012.05240.x PG 6 WC Materials Science, Ceramics SC Materials Science GA 983EJ UT WOS:000307101000026 ER PT J AU Larsen, BA Deria, P Holt, JM Stanton, IN Heben, MJ Therien, MJ Blackburn, JL AF Larsen, Brian A. Deria, Pravas Holt, Josh M. Stanton, Ian N. Heben, Michael J. Therien, Michael J. Blackburn, Jeffrey L. TI Effect of Solvent Polarity and Electrophilicity on Quantum Yields and Solvatochromic Shifts of Single-Walled Carbon Nanotube Photoluminescence SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID TRANSITION ENERGIES; FLUORESCENCE; PROTONATION; SOLUBILITY; DEPENDENCE; COMPOSITES; ABSORPTION; PARAMETERS; INTERFACES; DISPERSION AB In this work, we investigate the impact of the solvation environment on single-walled carbon nanotube (SWCNT) photoluminescence quantum yield and optical transition energies (4) using a highly charged aryleneethynylene polymer. This novel surfactant produces dispersions in a variety of polar solvents having a wide range of dielectric constants (methanol, dimethyl sulfoxide, aqueous dimethylformamide, and deuterium oxide). Because a common surfactant can be used while maintaining a constant SWCNT surfactant morphology, we are able to straightforwardly evaluate the impact of the solvation environment upon SWCNT optical properties. We find that (i) the SWCNT quantum yield is strongly dependent on both the polarity and electrophilicity of the solvent and (ii) solvatochromic shifts correlate with the extent of SWCNT solvation. These findings provide a deeper understanding of the environmental dependence of SWCNT excitonic properties and underscore that the solvent provides a tool with which to modulate SWCNT electronic and optical properties. C1 [Larsen, Brian A.; Holt, Josh M.; Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Deria, Pravas; Stanton, Ian N.; Therien, Michael J.] Duke Univ, Dept Chem, French Family Sci Ctr, Durham, NC 27708 USA. [Heben, Michael J.] Univ Toledo, Dept Phys & Astron, Wright Ctr Photovolta Innovat & Commercializat, Toledo, OH 43606 USA. RP Blackburn, JL (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. EM Jeffrey.Blackburn@nrel.gov FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC36-08GO28308, DE-SC0001517] FX This work was funded by the Solar Photochemistry program of the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, under Contract No. DE-AC36-08GO28308 to the National Renewable Energy Laboratory and Grant DE-SC0001517 to M.J.T. NR 47 TC 30 Z9 30 U1 4 U2 68 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD AUG 1 PY 2012 VL 134 IS 30 BP 12485 EP 12491 DI 10.1021/ja2114618 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 981CH UT WOS:000306942600041 PM 22746552 ER PT J AU Janssen, Y Middlemiss, DS Bo, SH Grey, CP Khalifah, PG AF Janssen, Yuri Middlemiss, Derek S. Bo, Shou-Hang Grey, Clare P. Khalifah, Peter G. TI Structural Modulation in the High Capacity Battery Cathode Material LiFeBO3 SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID BOND-VALENCE PARAMETERS; CRYSTAL-STRUCTURE; ELECTROCHEMICAL PROPERTIES; LITHIUM BATTERIES; 1ST PRINCIPLES; MN; FE; PERFORMANCE; CHEMISTRY; INSERTION AB The crystal structure of the promising Li-ion battery cathode material LiFeBO3 has been redetermined based on the results of single crystal X-ray diffraction data. A commensurate modulation that doubles the periodicity of the lattice in the a-axis direction is observed. When the structure of LiFeBO3 is refined in the 4-dimensional superspace group C2/c(alpha 0 gamma)00, with alpha = 1/2 and gamma = 0 and with lattice parameters of a = 5.1681 angstrom, b = 8.8687 angstrom, c = 10.1656 angstrom, and beta = 91.514 degrees, all of the disorder present in the prior C2/c structural model is eliminated and a long-range ordering of 1D chains of corner-shared LiO4 is revealed to occur as a result of cooperative displacements of Li and O atoms in the c-axis direction. Solid-state hybrid density functional theory calculations find that the modulation stabilizes the LiFeBO3 structure by 1.2 kJ/mol (12 meV/f.u.), and that the modulation disappears after delithiation to form a structurally related FeBO3 phase. The band gaps of LiFeBO3 and FeBO3 are calculated to be 3.5 and 3.3 eV, respectively. Bond valence sum maps have been used to identify and characterize the important Li conduction pathways, and suggest that the activation energies for Li diffusion will be higher in the modulated structure of LiFeBO3 than in its unmodulated analogue. C1 [Janssen, Yuri; Bo, Shou-Hang; Grey, Clare P.; Khalifah, Peter G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Middlemiss, Derek S.; Grey, Clare P.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. [Khalifah, Peter G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Grey, CP (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM cpg27@cam.ac.uk; kpete@bnl.gov FU Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center; U.S. DOE, BES [DE-SC0001294]; EPSRC [EP/F067496]; Office of Science and Technology through EPSRC; National Science Foundation [CHE-0840483] FX This work was supported by the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the U.S. DOE, BES under award No. DE-SC0001294. C.P.G.'s and D.S.M.'s membership of the UK's HPC Materials Chemistry Consortium is gratefully acknowledged, as funded by EPSRC (EP/F067496). This work made use of the facilities of HECToR, the UK's national high-performance computing service, which is provided by UoE HPCx Ltd. at the University of Edinburgh, Cray Inc., and NAG Ltd., and funded by the Office of Science and Technology through EPSRC's High End Computing Programme. The Stony Brook University single crystal diffractometer was obtained through the support of the National Science Foundation grant CHE-0840483. NR 38 TC 37 Z9 38 U1 6 U2 162 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD AUG 1 PY 2012 VL 134 IS 30 BP 12516 EP 12527 DI 10.1021/ja301881c PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 981CH UT WOS:000306942600045 PM 22708719 ER PT J AU Yang, JH Zhai, YT Liu, HR Xiang, HJ Gong, XG Wei, SH AF Yang, Ji-Hui Zhai, Yingteng Liu, Hengrui Xiang, Hongjun Gong, Xingao Wei, Su-Huai TI Si3AlP: A New Promising Material for Solar Cell Absorber SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SILICON; POINTS; LAYERS AB First-principles calculations were performed to study the structural and optoelectronic properties of the newly synthesized nonisovalent and lattice-matched (Si-2)(0.6)(AlP)(0.4) alloy (Watkins, T.; et al. J. Am. Chem. Soc. 2011, 133, 16212). We found that the most stable structure of Si3AlP is a superlattice along the < 111 > direction with separated AlP and Si layers, which has a similar optical absorption spectrum to silicon. The ordered C1c1-Si3AlP is found to be the most stable one among all structures with a basic unit of one P atom surrounded by three Si atoms and one Al atom, in agreement with experimental suggestions.(1) We predict that C1c1-Si3AlP has good optical properties, i.e., it has a larger fundamental band gap and a smaller direct band gap than Si; thus, it has much higher absorption in the visible light region. The calculated properties of Si3AlP suggest that it is a promising candidate for improving the performance of the existing Si-based solar cells. The understanding on the stability and band structure engineering obtained in this study is general and can be applied for future study of other nonisovalent and lattice-matched semiconductor alloys. C1 [Yang, Ji-Hui; Zhai, Yingteng; Liu, Hengrui; Xiang, Hongjun; Gong, Xingao] Fudan Univ, State Key Lab Surface Phys, Minist Educ, Key Lab Computat Phys Sci, Shanghai 200433, Peoples R China. [Yang, Ji-Hui; Zhai, Yingteng; Liu, Hengrui; Xiang, Hongjun; Gong, Xingao] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. [Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Xiang, HJ (reprint author), Fudan Univ, State Key Lab Surface Phys, Minist Educ, Key Lab Computat Phys Sci, Shanghai 200433, Peoples R China. EM hxiang@fudan.edu.cn; xggong@fudan.edu.cn RI Yambo, MBPT Code/O-4564-2015; Xiang, Hongjun/I-4305-2016; gong, xingao/D-6532-2011 OI Xiang, Hongjun/0000-0002-9396-3214; FU National Science Foundation of China (NSFC); NSFC; Pujiang plan; Program for Professor of Special Appointment (Eastern Scholar); U.S Department of Energy (DOE) [DE-AC36-08GO28308] FX The work at Fudan University was partially supported by the Special Funds for Major State Basic Research, National Science Foundation of China (NSFC), International collaboration project, NSFC, Pujiang plan, and Program for Professor of Special Appointment (Eastern Scholar). Computation was performed in the Supercomputer Center of Fudan University. The work at NREL was funded by the U.S Department of Energy (DOE), under Contract No. DE-AC36-08GO28308. NR 17 TC 17 Z9 17 U1 2 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD AUG 1 PY 2012 VL 134 IS 30 BP 12653 EP 12657 DI 10.1021/ja303892a PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 981CH UT WOS:000306942600059 PM 22769022 ER PT J AU Molinari, J Romps, DM Vollaro, D Nguyen, L AF Molinari, John Romps, David M. Vollaro, David Leon Nguyen TI CAPE in Tropical Cyclones SO JOURNAL OF THE ATMOSPHERIC SCIENCES LA English DT Article ID AIRBORNE DOPPLER RADAR; VERTICAL WIND SHEAR; THUNDERCLOUD PARAMETERS; CONDITIONAL INSTABILITY; KINEMATIC STRUCTURE; HOT TOWERS; TOGA COARE; HURRICANES; CONVECTION; REFLECTIVITY AB Convective available potential energy (CAPE) and the vertical distribution of buoyancy were calculated for more than 2000 dropsonde soundings collected by the NOAA Gulfstream-IV aircraft. Calculations were done with and without the effects of condensate loading, entrainment, and the latent heat of fusion. CAPE showed larger values downshear than upshear within 400 km of the center, consistent with the observed variation of convective intensity. The larger downshear CAPE arose from (i) higher surface specific humidity, (ii) lower midtropospheric temperature, and, for entraining CAPE, (iii) larger free-tropospheric relative humidity. Reversible CAPE had only one-half the magnitude of pseudoadiabatic CAPE. As shown previously, reversible CAPE with fusion closely resembled pseudoadiabatic CAPE without fusion. Entrainment had the most dramatic impact. Entraining CAPE was consistent with the observed radial distribution of convective intensity, displaying the largest values downshear at inner radii. Without entrainment, downshear CAPE was smallest in the core and increased outward to the 600-km radius. The large number of sondes allowed the examination of soundings at the 90th percentile of conditional instability, which reflect the conditions leading to the most vigorous updrafts. Observations of convection in tropical cyclones prescribe the correct method for calculating this conditional instability. In particular, the abundance and distribution of vigorous deep convection is most accurately reflected by calculating CAPE with condensate retention and a fractional entrainment rate in the range of 5%-10% km(-1). C1 [Molinari, John; Vollaro, David; Leon Nguyen] SUNY Albany, Dept Atmospher & Environm Sci, Albany, NY 12222 USA. [Romps, David M.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Romps, David M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Molinari, J (reprint author), SUNY Albany, Dept Atmospher & Environm Sci, ES-225,1400 Washington Ave, Albany, NY 12222 USA. EM jmolinari@albany.edu RI Romps, David/F-8285-2011 FU National Science Foundation (NSF); Laboratory Directed Research and Development (LDRD); Lawrence Berkeley National Laboratory; Office of Science, of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF Grant [ATM0855718] FX We are indebted to Dr. Sim Aberson of the Hurricane Research Division of NOAA for his processing and storage of G-IV dropsonde data. ERA-Interim gridded analyses were obtained from the National Center for Atmospheric Research, which is supported by the National Science Foundation (NSF). DMR's work was supported by Laboratory Directed Research and Development (LDRD) funding from Lawrence Berkeley National Laboratory, provided by the Director, Office of Science, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. JM's work was supported by NSF Grant ATM0855718. NR 49 TC 21 Z9 22 U1 0 U2 17 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-4928 EI 1520-0469 J9 J ATMOS SCI JI J. Atmos. Sci. PD AUG PY 2012 VL 69 IS 8 BP 2452 EP 2463 DI 10.1175/JAS-D-11-0254.1 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 983XB UT WOS:000307150900008 ER PT J AU Park, JW Na, YS Hong, SH Ahn, JW Kim, DK Han, H Shim, SB Lee, HJ AF Park, Jin-Woo Na, Yong-Su Hong, Sang Hee Ahn, Joon-Wook Kim, Deok-Kyu Han, Hyunsun Shim, Seong Bo Lee, Hae June TI Simulation of tokamak SOL and divertor region including heat flux mitigation by gas puffing SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE 2D; SOL; Divertor; KTRAN; NSTX; Gas puffing; KSTAR ID DIII-D; PLASMA; REDUCTION; PHYSICS; JT-60U; NSTX AB Two-dimensional (2D), scrape-off layer (SOL)-divertor transport simulations are performed using the integrated plasma-neutral-impurity code KTRAN developed at Seoul National University. Firstly, the code is applied to reproduce a National Spherical Torus eXperiment (NSTX) discharge by using the prescribed transport coefficients and the boundary conditions obtained from the experiment. The plasma density, the heat flux on the divertor plate, and the D (alpha) emission rate profiles from the numerical simulation are found to follow experimental trends qualitatively. Secondly, predictive simulations are carried out for the baseline operation mode in Korea Superconducting Tokamak Advanced Research (KSTAR) to predict the heat flux on the divertor target plates. The stationary peak heat flux in the KSTAR baseline operation mode is expected to be 6.5 MW/m(2) in the case of an orthogonal divertor. To study the mitigation of the heat flux, we investigated the puffing effects of deuterium and argon gases. The puffing position is assumed to be in front of the strike point at the outer lower divertor plate. In the simulations, mitigation of the peak heat flux at the divertor target plates is found to occur when the gas puffing rate exceeds certain values, similar to 1.0 x 10(20) /s and similar to 5.0 x 10(18) /s for deuterium and argon, respectively. Multi-charged impurity transport is also investigated for both NSTX and KSTAR SOL and divertor regions. C1 [Park, Jin-Woo; Na, Yong-Su; Hong, Sang Hee] Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea. [Ahn, Joon-Wook] Oak Ridge Natl Lab, Div Fus Energy, Oak Ridge, TN 37831 USA. [Kim, Deok-Kyu] Agcy Def Dev, Taejon 305152, South Korea. [Han, Hyunsun] Natl Fus Res Inst, Taejon 305806, South Korea. [Shim, Seong Bo; Lee, Hae June] Pusan Natl Univ, Dept Elect Engn, Pusan 609735, South Korea. RP Park, JW (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea. EM ysna@snu.ac.kr FU National Research Foundation of Korea (NRF); Ministry of Education, Science and Technology (MEST) [NRF-2012-0000590, NRF-2012-0003914]; Ministry of Education, Science and Technology [2011-0018731] FX This work was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (MEST) (NRF-2012-0000590, NRF-2012-0003914) and by the National R&D Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2011-0018731). NR 28 TC 1 Z9 1 U1 1 U2 5 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2012 VL 61 IS 3 BP 387 EP 396 DI 10.3938/jkps.61.387 PG 10 WC Physics, Multidisciplinary SC Physics GA 987TV UT WOS:000307441500014 ER PT J AU Figueiredo, E Park, G Farinholt, KM Farrar, CR Lee, JR AF Figueiredo, Eloi Park, Gyuhae Farinholt, Kevin M. Farrar, Charles R. Lee, Jung-Ryul TI Use of Time-Series Predictive Models for Piezoelectric Active-Sensing in Structural Health Monitoring Applications SO JOURNAL OF VIBRATION AND ACOUSTICS-TRANSACTIONS OF THE ASME LA English DT Article DE structural health monitoring; time series analysis; piezoelectric active-sensor; composites; impedance method ID DAMAGE DETECTION; COMPOSITE STRUCTURES; ORDER ESTIMATION; IDENTIFICATION; VALIDATION; JOINTS AB In this paper, time domain data from piezoelectric active-sensing techniques is utilized for structural health monitoring (SHM) applications. Piezoelectric transducers have been increasingly used in SHM because of their proven advantages. Especially, their ability to provide known repeatable inputs for active-sensing approaches to SHM makes the development of SHM signal processing algorithms more efficient and less susceptible to operational and environmental variability. However, to date, most of these techniques have been based on frequency domain analysis, such as impedance-based or high-frequency response functions-based SHM techniques. Even with Lamb wave propagations, most researchers adopt frequency domain or other analysis for damage-sensitive feature extraction. Therefore, this study investigates the use of a time-series predictive model which utilizes the data obtained from piezoelectric active-sensors. In particular, time series autoregressive models with exogenous inputs are implemented in order to extract damage-sensitive features from the measurements made by piezoelectric active-sensors. The test structure considered in this study is a composite plate, where several damage conditions were artificially imposed. The performance of this approach is compared to that of analysis based on frequency response functions and its capability for SHM is demonstrated. [DOI: 10.1115/1.4006410] C1 [Figueiredo, Eloi; Park, Gyuhae; Farinholt, Kevin M.; Farrar, Charles R.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. [Lee, Jung-Ryul] ChonBuk Natl Univ, Dept Aerosp Engn, Jeonju 561756, South Korea. [Lee, Jung-Ryul] ChonBuk Natl Univ, LANL CBNU Engn Inst Korea, Jeonju 561756, South Korea. RP Park, G (reprint author), Los Alamos Natl Lab, Engn Inst, POB 1663, Los Alamos, NM 87545 USA. EM gyuhae.park@gmail.com RI Lee, Jung-Ryul/B-3266-2015; OI Figueiredo, Eloi/0000-0002-9168-6903; Farrar, Charles/0000-0001-6533-6996 FU Laboratory Directed Research and Development program at Los Alamos National Laboratory; National Research Foundation of Korea; Ministry of Education, Science and Technology [2011-0030065] FX This research was funded through the Laboratory Directed Research and Development program at Los Alamos National Laboratory. This research was also partially supported by the Leading Foreign Research Institute Recruitment Program through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology (2011-0030065) NR 37 TC 4 Z9 4 U1 1 U2 7 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1048-9002 J9 J VIB ACOUST JI J. Vib. Acoust.-Trans. ASME PD AUG PY 2012 VL 134 IS 4 AR 041014 DI 10.1115/1.4006410 PG 10 WC Acoustics; Engineering, Mechanical; Mechanics SC Acoustics; Engineering; Mechanics GA 970OS UT WOS:000306142200014 ER PT J AU Allard, LF Overbury, SH Bigelow, WC Katz, MB Nackashi, DP Damiano, J AF Allard, Lawrence F. Overbury, Steven H. Bigelow, Wilbur C. Katz, Michael B. Nackashi, David P. Damiano, John TI Novel MEMS-Based Gas-Cell/Heating Specimen Holder Provides Advanced Imaging Capabilities for In Situ Reaction Studies SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE in situ; gas reaction; gas cell; high-resolution; electron microscopy; catalysts; MEMS ID RESOLUTION ELECTRON-MICROSCOPY; ENVIRONMENTAL CELL; ELEVATED-TEMPERATURES; CATALYSIS; PRESSURE; TEM AB In prior research, specimen holders that employ a novel MEMS-based heating technology (Aduro (TM)) provided by Protochips Inc. (Raleigh, NC, USA) have been shown to permit sub-Angstrom imaging at elevated temperatures up to 1,000 degrees C during in situ heating experiments in modern aberration-corrected electron microscopes. The Aduro heating devices permit precise control of temperature and have the unique feature of providing both heating and cooling rates of 10(6 degrees)C/s. In the present work, we describe the recent development of a new specimen holder that incorporates the Aduro heating device into a "closed-cell" configuration, designed to function within the narrow (2 mm) objective lens pole piece gap of an aberration-corrected JEOL 2200FS STEM/TEM, and capable of exposing specimens to gases at pressures up to 1 atm. We show the early results of tests of this specimen holder demonstrating imaging at elevated temperatures and at pressures up to a full atmosphere, while retaining the atomic resolution performance of the microscope in high-angle annular dark-field and bright-field imaging modes. C1 [Allard, Lawrence F.; Overbury, Steven H.] Oak Ridge Natl Lab, Phys Sci Directorate, Oak Ridge, TN 37831 USA. [Bigelow, Wilbur C.; Katz, Michael B.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48104 USA. [Nackashi, David P.; Damiano, John] Protochips Inc, Raleigh, NC 27606 USA. RP Allard, LF (reprint author), Oak Ridge Natl Lab, Phys Sci Directorate, Oak Ridge, TN 37831 USA. EM allardLFjr@ornl.gov RI Overbury, Steven/C-5108-2016 OI Overbury, Steven/0000-0002-5137-3961 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program FX Microscopy research at Oak Ridge National Laboratory's High Temperature Materials Laboratory was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. Protochips Inc. provided the specimen rod and heating chips, and supported development and fabrication of the gas supply system. We also acknowledge fruitful discussions with G. Graham and X. Pan of the University of Michigan, Department of Materials Science & Engineering. M. Oljaca of Cabot Corporation provided the Rh-doped CaTiO3 powder, and Yingwen Duan of Prof. Pan's group synthesized the Pt-doped CaTiO3 material. NR 16 TC 20 Z9 20 U1 5 U2 61 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2012 VL 18 IS 4 BP 656 EP 666 DI 10.1017/S1431927612001249 PG 11 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 984EF UT WOS:000307171900003 PM 22835379 ER PT J AU Ercius, P Boese, M Duden, T Dahmen, U AF Ercius, Peter Boese, Markus Duden, Thomas Dahmen, Ulrich TI Operation of TEAM I in a User Environment at NCEM SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE aberration correction; TEM; low-voltage; TEAM; direct electron detector; piezo stage; graphene; STEM ID 20 KV; ABERRATION; MICROSCOPE; GRAPHENE; TEM AB TEAM I is the final product of the Transmission Electron Aberration-corrected Microscope (TEAM) Project, a collaborative project funded by the Department of Energy with the goal of designing and building a platform for a next generation aberration-corrected electron microscope capable of image resolution of up to 50 pm. The TEAM instrument incorporates a number of new technologies, including spherical- and chromatic-aberration correction, an all-piezo-electric sample stage and an active-pixel direct electron detector. This article describes the functionality of this advanced instrumentation, its response to changes in environment or operating conditions, and its stability during daily operation within the National Center for Electron Microscopy user facility. C1 [Ercius, Peter; Boese, Markus; Dahmen, Ulrich] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Ercius, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, 1 Cyclotron Rd,MS 72-150, Berkeley, CA 94720 USA. EM percius@lbl.gov FU U.S. Department of Energy Office of Science [DE-AC02-05CH11231] FX We thank Wouter Van den Broek for his assistance in calculating the MTFs with his excellent Matlab code. The NCEM is funded by the U.S. Department of Energy Office of Science on contract # DE-AC02-05CH11231. NR 19 TC 14 Z9 14 U1 1 U2 16 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2012 VL 18 IS 4 BP 676 EP 683 DI 10.1017/S1431927612001225 PG 8 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 984EF UT WOS:000307171900005 PM 22849797 ER PT J AU Kotula, PG Klenov, DO von Harrach, HS AF Kotula, Paul G. Klenov, Dmitri O. von Harrach, H. Sebastian TI Challenges to Quantitative Multivariate Statistical Analysis of Atomic-Resolution X-Ray Spectral SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE atomic-resolution X-ray microanalysis; spectral imaging; quantification; multivariate statistical analysis; aberration-corrected scanning transmission electron microscopy ID TRANSMISSION ELECTRON-MICROSCOPE; IMAGES; STEM; SEGREGATION AB A new aberration-corrected scanning transmission electron microscope equipped with an array of Si-drift energy-dispersive X-ray spectrometers has been utilized to acquire spectral image data at atomic resolution. The resulting noisy data were subjected to multivariate statistical analysis to noise filter, remove an unwanted and partially overlapping non-sample-specific X-ray signal, and extract the relevant correlated X-ray signals (e. g., channels with L and K lines). As an example, the Y2Ti2O7 pyrochlore-structured oxide (assumed here to be ideal! was interrogated at the [011] projection. In addition to pure columns of Y and Ti, at this projection, there are also mixed 50-50 at. % Y-Ti columns. An attempt at atomic-resolution quantification is presented. The method proposed here is to subtract the non-column-specific signal from the elemental components and then quantify the data based upon an internally derived k-factor. However, a theoretical basis to predict this non-column-specific signal is needed to make this generally applicable. C1 [Kotula, Paul G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Klenov, Dmitri O.; von Harrach, H. Sebastian] FEI Co, Eindhoven, Netherlands. RP Kotula, PG (reprint author), Sandia Natl Labs, POB 5800,MS 0886, Albuquerque, NM 87185 USA. EM pgkotul@sandia.gov RI Kotula, Paul/A-7657-2011 OI Kotula, Paul/0000-0002-7521-2759 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Joseph Michael of Sandia National Laboratories (SNL) for help with rendering the pyrochlore structure and in reviewing this manuscript and Mark Van Benthem of SNL for helpful discussions. SNL is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 33 TC 22 Z9 22 U1 1 U2 35 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2012 VL 18 IS 4 BP 691 EP 698 DI 10.1017/S1431927612001201 PG 8 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 984EF UT WOS:000307171900007 PM 22849798 ER PT J AU Lupini, AR Pennycook, SJ AF Lupini, Andrew R. Pennycook, Stephen J. TI Tuning Fifth-Order Aberrations in a Quadrupole-Octupole Corrector SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE aberrations; spherical aberration; higher order; STEM ID TRANSMISSION ELECTRON-MICROSCOPE; STEM AB The resolution of conventional electron microscopes is usually limited by spherical aberration. Microscopes equipped with aberration correctors are then primarily limited by higher order, chromatic, and misalignment aberrations. In particular the Nion third-order aberration correctors installed on machines with a low energy spread and possessing sophisticated alignment software were limited by the uncorrected fifth-order aberrations. Here we show how the Nion fifth-order aberration corrector can be used to adjust and reduce some of the fourth-and fifth-order aberrations in a probe-corrected scanning transmission electron microscope. C1 [Lupini, Andrew R.; Pennycook, Stephen J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Pennycook, Stephen J.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RP Lupini, AR (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM 9az@ornl.gov FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This research was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Technical assistance from Nion Co. is gratefully acknowledged. Graphene sample courtesy of H. Dai and T. Mirfakhrai of Stanford University, and additional microscopy courtesy of M.F. Chisholm and J. Guo. NR 23 TC 3 Z9 3 U1 0 U2 10 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2012 VL 18 IS 4 BP 699 EP 704 DI 10.1017/S1431927612001237 PG 6 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 984EF UT WOS:000307171900008 PM 22846922 ER PT J AU Xin, HLL Zheng, HM AF Xin, Huolin L. Zheng, Haimei TI On-Column 2p Bound State with Topological Charge +/- 1 Excited by an Atomic-Size Vortex Beam in an Aberration-Corrected Scanning Transmission Electron Microscope SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE electron vortex beam; aberration-corrected electron microscopy; topological charge; electron channeling; columnar orbital ID ORBITAL ANGULAR-MOMENTUM; FIELD STEM IMAGES; PHASE SINGULARITIES; RESOLUTION; DIFFRACTION; SCATTERING; CRYSTALS; DISLOCATIONS; LIMITATIONS; GENERATION AB Atomic-size vortex beams have great potential in probing the magnetic moment of materials at atomic scales. However, the limited depth of field of vortex beams constrains the probing depth in which the helical phase front is preserved. On the other hand, electron channeling in crystals can counteract beam divergence and extend the vortex beam without disrupting its topological charge. Specifically, in this article, we report that atomic vortex beams with topological charge +/- 1 can be coupled to the 2p columnar bound states and propagate for more than 50 nm without being dispersed and losing its helical phase front. We give numerical solutions to the 2p columnar orbitals and tabulate the characteristic size of the 2p states of two typical elements, Co and Dy, for various incident beam energies and various atomic densities. The tabulated numbers allow estimates of the optimal convergence angle for maximal coupling to 2p columnar orbital. We have also developed analytic formulae for beam energy, convergence angle, and hologram-dependent scaling for various characteristic sizes. These length scales are useful for the design of pitch-fork apertures and operations of microscopes in the vortex-beam imaging mode. C1 [Xin, Huolin L.; Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Xin, HLL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM hxin@lbl.gov RI Xin, Huolin/E-2747-2010 OI Xin, Huolin/0000-0002-6521-868X FU Materials Sciences Division, Lawrence Berkeley National Laboratory FX This work was supported by Materials Sciences Division, Lawrence Berkeley National Laboratory. H.L.X. thanks his thesis advisor David A. Muller for giving the project and countless advice on calculating columnar orbitals for electron channeling during his PhD study. H.L.X. thanks Judy J. Cha and Earl J. Kirkland for initial code and notes for solving the radial Schrodinger equation. H.L.X. also thanks Robert Hovden for helping debug the program and developing the concept of columnar orbitals. NR 59 TC 14 Z9 14 U1 0 U2 28 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2012 VL 18 IS 4 BP 711 EP 719 DI 10.1017/S1431927612000499 PG 9 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 984EF UT WOS:000307171900010 PM 22832117 ER PT J AU Michael, JR McKenzie, BB Susan, DF AF Michael, Joseph R. McKenzie, Bonnie B. Susan, Donald F. TI Application of Electron Backscatter Diffraction for Crystallographic Characterization of Tin Whiskers SO MICROSCOPY AND MICROANALYSIS LA English DT Article; Proceedings Paper CT 7th Omaha Imaging Symposium CY APR 08, 2011 CL Creighton Univ, Omaha, NE HO Creighton Univ DE EBSD; tin; whiskers; crystallography ID GENERATION; NANOWIRES; GROWTH AB Understanding the growth of whiskers or high aspect ratio features on substrates can be aided when the crystallography of the feature is known. This study has evaluated three methods that utilize electron backscatter diffraction (EBSD) for the determination of the crystallographic growth direction of an individual whisker. EBSD has traditionally been a technique applied to planar, polished samples, and thus the use of EBSD for out-of-surface features is somewhat more difficult and requires additional steps. One of the methods requires the whiskers to be removed from the substrate resulting in the loss of valuable physical growth relationships between the whisker and the substrate. The other two techniques do not suffer this disadvantage and provide the physical growth information as well as the crystallographic growth directions. The final choice of method depends on the information required. The accuracy and the advantages and disadvantages of each method are discussed. C1 [Michael, Joseph R.; McKenzie, Bonnie B.; Susan, Donald F.] Sandia Natl Labs, Mat Characterizat Dept, Albuquerque, NM 87185 USA. RP Michael, JR (reprint author), Sandia Natl Labs, Mat Characterizat Dept, POB 5800,MS 0886, Albuquerque, NM 87185 USA. EM jrmicha@sandia.gov NR 18 TC 2 Z9 2 U1 4 U2 17 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2012 VL 18 IS 4 BP 876 EP 884 DI 10.1017/S143192761200044X PG 9 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 984EF UT WOS:000307171900029 PM 22832083 ER PT J AU Gerhardt, SP Andre, R Menard, JE AF Gerhardt, S. P. Andre, R. Menard, J. E. TI Exploration of the equilibrium operating space for NSTX-Upgrade SO NUCLEAR FUSION LA English DT Article ID SPHERICAL TORUS EXPERIMENT; LOW-ASPECT-RATIO; RESISTIVE WALL MODE; FUSION TEST REACTOR; DIII-D TOKAMAK; HIGH-BETA; STEADY-STATE; DRIVEN INSTABILITIES; ENERGETIC PARTICLES; PLASMA-CONFINEMENT AB This paper explores a range of high-performance equilibrium scenarios achievable with neutral beam heating in the NSTX-Upgrade device (Menard J.E. 2012 Nucl. Fusion 52 083015). NSTX-Upgrade is a substantial upgrade to the existing NSTX device (Ono M. et al 2000 Nucl. Fusion 40 557), with significantly higher toroidal field and solenoid capabilities, and three additional neutral beam sources with significantly larger current-drive efficiency. Equilibria are computed with free-boundary TRANSP, allowing a self-consistent calculation of the non-inductive current-drive sources, the plasma equilibrium and poloidal-field coil currents, using the realistic device geometry. The thermal profiles are taken from a variety of existing NSTX discharges, and different assumptions for the thermal confinement scalings are utilized. The no-wall and ideal-wall n = 1 stability limits are computed with the DCON code. The central and minimum safety factors are quite sensitive to many parameters: they generally increase with large outer plasma-wall gaps and higher density, but can have either trend with the confinement enhancement factor. In scenarios with strong central beam current drive, the inclusion of non-classical fast-ion diffusion raises q(min), decreases the pressure peaking, and generally improves the global stability, at the expense of a reduction in the non-inductive current-drive fraction; cases with less beam current drive are largely insensitive to additional fast-ion diffusion. The non-inductive current level is quite sensitive to the underlying confinement and profile assumptions. For instance, for B-T = 1.0 T and P-inj = 12.6 MW, the non-inductive current level varies from 875 kA with ITER-98y, 2 thermal confinement scaling and narrow thermal profiles to 1325 kA for an ST specific scaling expression and broad profiles. Scenarios are presented which can be sustained for 8-10 s, or (20-30) tau(CR), at beta(N) = 3.8-4.5. The value of q(min) can be controlled at either fixed non-inductive fraction of 100% or fixed plasma current, by varying which beam sources are used, opening the possibility for feedback control of the current profile. In terms of quantities like collisionality, neutron emission, non-inductive fraction, or stored energy, these scenarios represent a significant performance extension compared with NSTX and other present spherical torii. C1 [Gerhardt, S. P.; Andre, R.; Menard, J. E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Gerhardt, SP (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM sgerhard@pppl.gov OI Menard, Jonathan/0000-0003-1292-3286 FU United States Department of Energy [DE-AC02-09CH11466] FX The authors would like to thank the TRANSP team for their assistance in these simulations. In particular, we are grateful for the support provided by the late Doug McCune. We would also like to thank S. Kaye and W. Guttenfelder for helpful discussion. This research was funded by the United States Department of Energy under contract DE-AC02-09CH11466. NR 168 TC 26 Z9 26 U1 1 U2 12 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2012 VL 52 IS 8 AR 083020 DI 10.1088/0029-5515/52/8/083020 PG 36 WC Physics, Fluids & Plasmas SC Physics GA 983DU UT WOS:000307099500023 ER PT J AU Maingi, R Boyle, DP Canik, JM Kaye, SM Skinner, CH Allain, JP Bell, MG Bell, RE Gerhardt, SP Gray, TK Jaworski, MA Kaita, R Kugel, HW LeBlanc, BP Manickam, J Mansfield, DK Menard, JE Osborne, TH Raman, R Roquemore, AL Sabbagh, SA Snyder, PB Soukhanovskii, VA AF Maingi, R. Boyle, D. P. Canik, J. M. Kaye, S. M. Skinner, C. H. Allain, J. P. Bell, M. G. Bell, R. E. Gerhardt, S. P. Gray, T. K. Jaworski, M. A. Kaita, R. Kugel, H. W. LeBlanc, B. P. Manickam, J. Mansfield, D. K. Menard, J. E. Osborne, T. H. Raman, R. Roquemore, A. L. Sabbagh, S. A. Snyder, P. B. Soukhanovskii, V. A. TI The effect of progressively increasing lithium coatings on plasma discharge characteristics, transport, edge profiles and ELM stability in the National Spherical Torus Experiment SO NUCLEAR FUSION LA English DT Article ID LOCALIZED MODES; NSTX PLASMAS; PEDESTAL; INJECTION; TOKAMAKS; HEAT; INSTABILITIES; CONFINEMENT; OPERATION; PHYSICS AB Lithium wall coatings have been shown to reduce recycling, suppress edge-localized modes (ELMs), and improve energy confinement in the National Spherical Torus Experiment (NSTX). Here we document the effect of gradually increasing lithium wall coatings on the discharge characteristics, with the reference ELMy discharges obtained in boronized, i.e. non-lithiated conditions. We observed a continuous but not quite monotonic reduction in recycling and improvement in energy confinement, a gradual alteration of edge plasma profiles, and slowly increasing periods of ELM quiescence. The measured edge plasma profiles during the lithium-coating scan were simulated with the SOLPS code, which quantified the reduction in divertor recycling coefficient from similar to 98% to similar to 90%. The reduction in recycling and fuelling, coupled with a drop in the edge particle transport rate, reduced the average edge density profile gradient, and shifted it radially inwards from the separatrix location. In contrast, the edge electron temperature (T-e) profile was unaffected in the H-mode pedestal steep gradient region within the last 5% of normalized poloidal flux, psi(N); however, the T-e gradient became steeper at the top of the H-mode pedestal for 0.8 < psi(N) < 0.94 with lithium coatings. The peak pressure gradients were comparable during ELMy and ELM-free phases, but were shifted away from the separatrix in the ELM-free discharges, which is stabilizing to the current-driven instabilities thought to be responsible for ELMs in NSTX. C1 [Maingi, R.; Canik, J. M.; Gray, T. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Boyle, D. P.; Kaye, S. M.; Skinner, C. H.; Bell, M. G.; Bell, R. E.; Gerhardt, S. P.; Jaworski, M. A.; Kaita, R.; Kugel, H. W.; LeBlanc, B. P.; Manickam, J.; Mansfield, D. K.; Menard, J. E.; Roquemore, A. L.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Boyle, D. P.] Princeton Univ, Princeton, NJ 08544 USA. [Allain, J. P.] Purdue Univ, W Lafayette, IN 47907 USA. [Osborne, T. H.; Snyder, P. B.] Gen Atom Co, San Diego, CA 92121 USA. [Raman, R.] Univ Washington, Seattle, WA 98195 USA. [Sabbagh, S. A.] Columbia Univ, New York, NY 10027 USA. [Soukhanovskii, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Maingi, R (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Skinner, Charles/C-2314-2013; Boyle, Dennis/B-8676-2011; OI Boyle, Dennis/0000-0001-8091-8169; Canik, John/0000-0001-6934-6681; Menard, Jonathan/0000-0003-1292-3286; Allain, Jean Paul/0000-0003-1348-262X FU US Department of Energy [DE-AC05-00OR22725, DE-AC02-09CH11466, DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG03-99ER54527, DE-FG02-08ER54990, DE-FG02-99ER54524] FX This research was supported in part by the US Department of Energy under contracts DE-AC05-00OR22725, DE-AC02-09CH11466, DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG03-99ER54527, DE-FG02-08ER54990 and DE-FG02-99ER54524. The authors gratefully acknowledge the contribution of the NSTX technical and operations staff. NR 58 TC 31 Z9 31 U1 4 U2 32 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2012 VL 52 IS 8 AR 083001 DI 10.1088/0029-5515/52/8/083001 PG 14 WC Physics, Fluids & Plasmas SC Physics GA 983DU UT WOS:000307099500004 ER PT J AU Menard, JE Gerhardt, S Bell, M Bialek, J Brooks, A Canik, J Chrzanowski, J Denault, M Dudek, L Gates, DA Gorelenkov, N Guttenfelder, W Hatcher, R Hosea, J Kaita, R Kaye, S Kessel, C Kolemen, E Kugel, H Maingi, R Mardenfeld, M Mueller, D Nelson, B Neumeyer, C Ono, M Perry, E Ramakrishnan, R Raman, R Ren, Y Sabbagh, S Smith, M Soukhanovskii, V Stevenson, T Strykowsky, R Stutman, D Taylor, G Titus, P Tresemer, K Tritz, K Viola, M Williams, M Woolley, R Yuh, H Zhang, H Zhai, Y Zolfaghari, A AF Menard, J. E. Gerhardt, S. Bell, M. Bialek, J. Brooks, A. Canik, J. Chrzanowski, J. Denault, M. Dudek, L. Gates, D. A. Gorelenkov, N. Guttenfelder, W. Hatcher, R. Hosea, J. Kaita, R. Kaye, S. Kessel, C. Kolemen, E. Kugel, H. Maingi, R. Mardenfeld, M. Mueller, D. Nelson, B. Neumeyer, C. Ono, M. Perry, E. Ramakrishnan, R. Raman, R. Ren, Y. Sabbagh, S. Smith, M. Soukhanovskii, V. Stevenson, T. Strykowsky, R. Stutman, D. Taylor, G. Titus, P. Tresemer, K. Tritz, K. Viola, M. Williams, M. Woolley, R. Yuh, H. Zhang, H. Zhai, Y. Zolfaghari, A. CA NSTX Team TI Overview of the physics and engineering design of NSTX upgrade SO NUCLEAR FUSION LA English DT Article ID SPHERICAL TORUS EXPERIMENT; COAXIAL HELICITY INJECTION; H-MODE PLASMAS; TIME EQUILIBRIUM RECONSTRUCTION; ASPECT-RATIO TOKAMAK; FUSION POWER-PLANT; HIGH-BETA-TOKAMAK; DIII-D TOKAMAK; BOOTSTRAP CURRENT; TOROIDAL PLASMAS AB The spherical tokamak (ST) is a leading candidate for a Fusion Nuclear Science Facility (FNSF) due to its compact size and modular configuration. The National Spherical Torus eXperiment (NSTX) is a MA-class ST facility in the US actively developing the physics basis for an ST-based FNSF. In plasma transport research, ST experiments exhibit a strong (nearly inverse) scaling of normalized confinement with collisionality, and if this trend holds at low collisionality, high fusion neutron fluences could be achievable in very compact ST devices. A major motivation for the NSTX Upgrade (NSTX-U) is to span the next factor of 3-6 reduction in collisionality. To achieve this collisionality reduction with equilibrated profiles, NSTX-U will double the toroidal field, plasma current, and NBI heating power and increase the pulse length from 1-1.5 s to 5-8 s. In the area of stability and advanced scenarios, plasmas with higher aspect ratio and elongation, high beta(N), and broad current profiles approaching those of an ST-based FNSF have been produced in NSTX using active control of the plasma beta and advanced resistive wall mode control. High non-inductive current fractions of 70% have been sustained for many current diffusion times, and the more tangential injection of the 2nd NBI of the Upgrade is projected to increase the NBI current drive by up to a factor of 2 and support 100% non-inductive operation. More tangential NBI injection is also projected to provide non-solenoidal current ramp-up as needed for an ST-based FNSF. In boundary physics, NSTX measures an inverse relationship between the scrape-off layer heat-flux width and plasma current that could unfavourably impact next-step devices. Recently, NSTX has successfully demonstrated substantial heat-flux reduction using a snowflake divertor configuration, and this type of divertor is incorporated in the NSTX-U design. The physics and engineering design supporting NSTX Upgrade is described. C1 [Menard, J. E.; Gerhardt, S.; Bell, M.; Brooks, A.; Chrzanowski, J.; Denault, M.; Dudek, L.; Gates, D. A.; Gorelenkov, N.; Guttenfelder, W.; Hatcher, R.; Hosea, J.; Kaita, R.; Kaye, S.; Kessel, C.; Kolemen, E.; Kugel, H.; Mardenfeld, M.; Mueller, D.; Neumeyer, C.; Ono, M.; Perry, E.; Ramakrishnan, R.; Ren, Y.; Sabbagh, S.; Smith, M.; Stevenson, T.; Strykowsky, R.; Taylor, G.; Titus, P.; Tresemer, K.; Viola, M.; Williams, M.; Woolley, R.; Zhang, H.; Zhai, Y.; Zolfaghari, A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Bialek, J.] Columbia Univ, New York, NY USA. [Canik, J.; Maingi, R.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Nelson, B.; Raman, R.] Univ Washington, Seattle, WA 98195 USA. [Soukhanovskii, V.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Stutman, D.; Tritz, K.] Johns Hopkins Univ, Baltimore, MD USA. [Yuh, H.] Nova Photon Inc, Princeton, NJ USA. RP Menard, JE (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Stutman, Dan/P-4048-2015; OI Canik, John/0000-0001-6934-6681; Menard, Jonathan/0000-0003-1292-3286 FU US DOE [DE-AC02-09CH11466] FX This work was supported in part by the US DOE Contract Number DE-AC02-09CH11466. NR 193 TC 84 Z9 84 U1 6 U2 41 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 AUG PY 2012 VL 52 IS 8 AR 083015 DI 10.1088/0029-5515/52/8/083015 PG 39 WC Physics, Fluids & Plasmas SC Physics GA 983DU UT WOS:000307099500018 ER PT J AU Park, JK Schaffer, MJ La Haye, RJ Scoville, TJ Menard, JE AF Park, Jong-Kyu Schaffer, Michael J. La Haye, Robert J. Scoville, Timothy J. Menard, Jonathan E. TI Error field correction in DIII-D Ohmic plasmas with either handedness (vol 51, 023003, 2011) SO NUCLEAR FUSION LA English DT Correction C1 [Park, Jong-Kyu; Menard, Jonathan E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Schaffer, Michael J.; La Haye, Robert J.; Scoville, Timothy J.] Gen Atom Co, San Diego, CA 92186 USA. RP Park, JK (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 1 TC 5 Z9 5 U1 0 U2 3 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2012 VL 52 IS 8 AR 089501 DI 10.1088/0029-5515/52/8/089501 PG 1 WC Physics, Fluids & Plasmas SC Physics GA 983DU UT WOS:000307099500025 ER PT J AU Sears, J Parker, RR Snipes, JA Golfinopoulos, T Bader, A Kramer, GJ Tang, V AF Sears, J. Parker, R. R. Snipes, J. A. Golfinopoulos, T. Bader, A. Kramer, G. J. Tang, V. TI Measurement and calculation of Alfven eigenmode damping and excitation over a full toroidal spectrum SO NUCLEAR FUSION LA English DT Article ID ALCATOR-C-MOD; FUSION ALPHA-PARTICLES; ION-CYCLOTRON; TAE-MODES; DIII-D; STABILITY; PLASMAS; TOKAMAK; DRIVEN; WAVE AB A broadband experimental study of Alfven eigenmode (AE) damping and excitation examines both low-n and high-n AEs (0 < vertical bar n vertical bar < 9) with a single diagnostic. Direct measurements of the damping rate of stable AEs with the active MHD system, in conjunction with analytic and numerical calculation, indicate that AE stabilization in Alcator C-Mod is largely due to radiative damping. AEs are also regularly observed to become unstable during ICRF heating above 3 MW. The most unstable modes have moderate-n around n = -4, in agreement with the common scaling of k(theta rho fast) approximate to 1 at maximum excitation. C1 [Sears, J.; Parker, R. R.; Golfinopoulos, T.; Bader, A.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Snipes, J. A.] ITER Org, F-13115 St Paul Les Durance, France. [Kramer, G. J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Tang, V.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Sears, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jason.sears@alum.mit.edu FU US DoE [DE-FC02-99ER54512] FX The authors thank Ambrogio Fasoli for his advice in operating the active MHD diagnostic. We thank also William Burke for building the electronics, Steve Wolfe for designing the open loop frequency control software, and the entire C-Mod team for their collaborative spirit. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. This work is supported by US DoE contract DE-FC02-99ER54512. NR 58 TC 2 Z9 2 U1 0 U2 8 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2012 VL 52 IS 8 AR 083003 DI 10.1088/0029-5515/52/8/083003 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 983DU UT WOS:000307099500006 ER PT J AU Stoschus, H Schmitz, O Frerichs, H Reiser, D Jakubowski, MW Unterberg, B Lehnen, M Reiter, D Samm, U AF Stoschus, H. Schmitz, O. Frerichs, H. Reiser, D. Jakubowski, M. W. Unterberg, B. Lehnen, M. Reiter, D. Samm, U. CA TEXTOR Team TI Impact of rotating resonant magnetic perturbation fields on plasma edge electron density and temperature SO NUCLEAR FUSION LA English DT Article ID DYNAMIC ERGODIC DIVERTOR; TOKAMAK PLASMAS; TRANSPORT; TEXTOR; PHYSICS AB Rotating resonant magnetic perturbation (RMP) fields impose a characteristic modulation to the edge electron density n(e)(r, t) and temperature T-e(r, t) fields, which depends on the relative rotation f(rel) between external RMP field and plasma fluid. The n(e)(r, t) and T-e(r, t) fields measured in the edge (r/a = 0.9-1.05) of TEXTOR L-mode plasmas are in close correlation with the local magnetic vacuum topology for low relative rotation f(rel) = -0.2 kHz. In comparison with the 3D neutral and plasma transport code EMC3-Eirene, this provides substantial experimental evidence that for low relative rotation level and high resonant field amplitudes (normalized radial field strength B-r(4/1)/B-t = 2 x 10(-3)), a stochastic edge with a remnant island chain dominated by diffusive transport exists. Radially outside a helical scrape-off layer, the so-called laminar zone embedded into a stochastic domain is found to exist. In contrast for high relative rotation of f(rel) = 1.8 kHz, the measured modulation of n(e) is shifted by pi/2 toroidally with respect to the modelled vacuum topology. A pronounced flattening in T-e(r) and a reduction in n(e)(r) is measured at the resonant flux surface and represents a clear signature for a magnetic island, which is phase shifted with respect to the vacuum island position. A correlated shift of the laminar zone radially outwards at the very plasma edge is observed suggesting that the actual near-field structure at the perturbation source is determined by the plasma response as well. C1 [Stoschus, H.; Schmitz, O.; Frerichs, H.; Reiser, D.; Unterberg, B.; Lehnen, M.; Reiter, D.; Samm, U.] Forschungszentrum Julich, Assoc EURATOM FZJ, Inst Energy & Climate Res Plasma Phys, D-52428 Julich, Germany. [Stoschus, H.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA. [Jakubowski, M. W.] Max Planck Inst Plasma Phys, Assoc IPP EURATOM, D-17491 Greifswald, Germany. RP Stoschus, H (reprint author), Forschungszentrum Julich, Assoc EURATOM FZJ, Inst Energy & Climate Res Plasma Phys, D-52428 Julich, Germany. EM stoschus@fusion.gat.com OI Reiser, Dirk/0000-0002-2667-4818; Unterberg, Bernhard/0000-0003-0866-957X FU German Research Foundation (DFG) [UN 265/1-1, GRK 1203] FX This work is supported by the German Research Foundation (DFG) under grant No UN 265/1-1 and GRK 1203. NR 38 TC 16 Z9 16 U1 2 U2 11 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2012 VL 52 IS 8 AR 083002 DI 10.1088/0029-5515/52/8/083002 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 983DU UT WOS:000307099500005 ER PT J AU Cahen, D Noufi, R AF Cahen, David Noufi, Rommel TI Adventures in Cu-chalcogenide solar cells. A special issue for the occasion of the 65th birthday of Prof. Dr.-Ing. Hans-Werner Schock SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE Cu-Chalcogenide; CIGS C1 [Cahen, David] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Noufi, Rommel] Natl Renewable Energy Lab, Golden, CO USA. RP Cahen, D (reprint author), Weizmann Inst Sci, IL-76100 Rehovot, Israel. NR 13 TC 1 Z9 1 U1 1 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD AUG PY 2012 VL 20 IS 5 SI SI BP 505 EP 506 DI 10.1002/pip.2250 PG 2 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 980MU UT WOS:000306898200001 ER PT J AU Krishnan, R Wood, D Chaudhari, VU Payzant, EA Noufi, R Rozeveld, S Kim, WK Anderson, TJ AF Krishnan, R. Wood, D. Chaudhari, V. U. Payzant, E. A. Noufi, R. Rozeveld, S. Kim, W. K. Anderson, T. J. TI Reaction routes for the synthesis of CuInSe2 using bilayer compound precursors SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE reaction kinetics; HTXRD; CIS solar cells ID CU(IN,GA)SE-2 THIN-FILMS; X-RAY-DIFFRACTION; REACTION-KINETICS; SOLAR-CELLS; GROWTH; PHASE; MODEL; SELENIZATION; SE AB The reaction pathways and phase evolution during synthesis of CuInSe2 (CIS) by a novel bilayer approach were investigated using in situ high-temperature X-ray diffraction. Two bilayer precursor structures, glass/Mo/?-In2Se3/beta-CuSe?+?beta-Cu2Se/Se and glass/Mo/gamma-In2Se3/beta-Cu2Se/Se, were examined in this study. Temperature ramp experiments revealed that the phase transformation sequence for each bilayer precursor qualitatively follows that predicted by the phase diagram and that the onset temperatures for decomposition of the sub-binary compounds depend on the Se partial pressure. Measurement of the isothermal rate of formation of CuInSe2 at six temperatures in the range 260 to 310?degrees C for the gamma-In2Se3/beta-CuSe?+?beta-Cu2Se/Se bilayer suggests relatively slow nucleation followed by diffusion-limited reaction with estimated activation energy of 162(+/- 7) and 225 (+/- 16)?kJ/mol from Avrami and parabolic models, respectively. Interestingly, the measured activation energy for the same precursor in a 4?mol % H2/He ambient (108 (+/- 8)?kJ/mol) was lower than that observed in pure N2 (158 (+/- 16)?kJ/mol). The results of isothermal measurements in the temperature range 250 to 300?degrees C for the gamma-In2Se3/beta-Cu2Se/Se precursor film in an inert ambient are consistent with one-dimensional diffusion-limited growth with estimated activation energy from the Avrami and parabolic models of 194 (+/- 10) and 203 (+/- 12)?kJ/mol, respectively. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Krishnan, R.; Wood, D.; Chaudhari, V. U.; Anderson, T. J.] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. [Payzant, E. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Noufi, R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Rozeveld, S.] Dow Chem Co USA, Analyt Sci, Midland, MI 48674 USA. [Kim, W. K.] Yeungnam Univ, Sch Chem Engn, Kyongsan 712749, South Korea. RP Anderson, TJ (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. EM tim@ufl.edu RI Payzant, Edward/B-5449-2009 OI Payzant, Edward/0000-0002-3447-2060 FU DOE/NREL Thin Film PV Partnership Program [DE-FG36-08GO18069]; U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program FX The authors gratefully acknowledge the financial support of DOE/NREL Thin Film PV Partnership Program, under subcontract No. DE-FG36-08GO18069. The authors also appreciate sponsorship, in part, by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program. The discussions with Dr. Carelyn Campbell at NIST/Metallurgy Division on mechanisms were most helpful. The authors also thank Major Analytical Instrumentation Center (MAIC) at University of Florida for characterization. NR 31 TC 5 Z9 5 U1 2 U2 37 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD AUG PY 2012 VL 20 IS 5 SI SI BP 543 EP 556 DI 10.1002/pip.2262 PG 14 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 980MU UT WOS:000306898200007 ER PT J AU Green, MA Emery, K Hishikawa, Y Warta, W Dunlop, ED AF Green, Martin A. Emery, Keith Hishikawa, Yoshihiro Warta, Wilhelm Dunlop, Ewan D. TI Solar cell efficiency tables (version 40) SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE solar cell efficiency; photovoltaic efficiency; energy conversion efficiency ID MULTICRYSTALLINE; CONCENTRATOR AB Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined and new entries since January 2012 are reviewed. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Green, Martin A.] Univ New S Wales, ARC Photovolta Ctr Excellence, Sydney, NSW 2052, Australia. [Emery, Keith] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Hishikawa, Yoshihiro] Natl Inst Adv Ind Sci & Technol, Res Ctr Photovolta RCPV, Tsukuba, Ibaraki 3058568, Japan. [Warta, Wilhelm] Fraunhofer Inst Solar Energy Syst, Dept Solar Cells Mat & Technol, D-79110 Freiburg, Germany. [Dunlop, Ewan D.] Commiss European Communities, Joint Res Ctr, Renewable Energy Unit, Inst Energy, IT-20127 Ispra, VA, Italy. RP Green, MA (reprint author), Univ New S Wales, ARC Photovolta Ctr Excellence, Sydney, NSW 2052, Australia. EM m.green@unsw.edu.au NR 42 TC 243 Z9 245 U1 8 U2 224 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD AUG PY 2012 VL 20 IS 5 SI SI BP 606 EP 614 DI 10.1002/pip.2267 PG 9 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 980MU UT WOS:000306898200015 ER PT J AU Ben-Hur, E Elkind, MM Bronk, BV AF Ben-Hur, E. Elkind, M. M. Bronk, B. V. TI Thermally Enhanced Radioresponse of Cultured Chinese Hamster Cells: Inhibition of Repair of Sublethal Damage and Enhancement of Lethal Damage SO RADIATION RESEARCH LA English DT Article ID RADIATION RESPONSE; MAMMALIAN CELLS; X-RAY; TISSUE CULTURE; ACTINOMYCIN-D; DNA; SENSITIVITY; TEMPERATURE; MUTANTS; VITRO AB BEN-HUR, E., ELKIND, M. M., AND BRONK, B. V. Thermally Enhanced Radioresponse of Cultured Chinese Hamster Cells: Inhibition of Repair of Sublethal Damage and Enhancement of Lethal Damage. Radiat. Res. 58, 38-51 (1974). X-irradiation of Chinese hamster cells at temperatures above 37 degrees C results in enhanced killing response. The magnitude of this thermal effect increases with increasing temperature and varies inversely with dose rate during the exposure of the cells to the combined effects of elevated temperature and ionizing radiation. Postirradiation incubation at an elevated temperature is also effective in enhancing the response but not preirradiation hyperthermia. Split-dose experiments demonstrate that hyperthermia also inhibits the repair of sublethal damage for temperatures up to similar to 41 degrees C. Above 41 degrees C, lethal damage expression is enhanced as well. Fluctuations in the age-response structure of cells x-irradiated at 42 degrees C are reduced, a result consistent with a reduced capacity for sublethal damage when cells are hyperthermic during irradiation. C1 [Ben-Hur, E.; Elkind, M. M.; Bronk, B. V.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Ben-Hur, E (reprint author), Hebrew Univ Jerusalem, Hadassah Med Sch, Dept Cellular Biochem, IL-91010 Jerusalem, Israel. FU U. S. National Institutes of Health from the National Cancer Institute [1-FO3-CA 52437-01]; U. S. Atomic Energy Commission FX Supported in part by a U. S. National Institutes of Health Fellowship No. 1-FO3-CA 52437-01 from the National Cancer Institute.; This research was carried out at Brookhaven National Laboratory under the auspices of the U. S. Atomic Energy Commission. NR 28 TC 1 Z9 1 U1 0 U2 2 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD AUG PY 2012 VL 178 IS 2 BP AV139 EP AV145 DI 10.1667/RRAV11.1 PG 7 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 981PZ UT WOS:000306983000012 PM 22870965 ER PT J AU Lieberman, HB Blakely, EA AF Lieberman, Howard B. Blakely, Eleanor A. TI James William Osborne SO RADIATION RESEARCH LA English DT Biographical-Item C1 [Lieberman, Howard B.] Columbia Univ, Ctr Radiol Res, New York, NY 10032 USA. [Blakely, Eleanor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lieberman, HB (reprint author), Columbia Univ, Ctr Radiol Res, New York, NY 10032 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD AUG PY 2012 VL 178 IS 2 BP AV1 EP AV2 DI 10.1667/RRAV00.1 PG 2 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 981PZ UT WOS:000306983000001 PM 22870961 ER PT J AU Quastler, H AF Quastler, Henry TI The Nature of Intestinal Radiation Death SO RADIATION RESEARCH LA English DT Article ID IRRADIATION; EPITHELIUM; RAYS C1 [Quastler, Henry] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Quastler, Henry] Univ Illinois, Dept Physiol, Urbana, IL 61801 USA. [Quastler, Henry] Carle Fdn, Urbana, IL USA. RP Quastler, H (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. FU National Cancer Institute of the National Institutes of Health FX Supported in part by a grant from the National Cancer Institute of the National Institutes of Health. NR 46 TC 0 Z9 0 U1 0 U2 1 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 EI 1938-5404 J9 RADIAT RES JI Radiat. Res. PD AUG PY 2012 VL 178 IS 2 BP AV173 EP AV182 DI 10.1667/RRAV13.1 PG 10 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 981PZ UT WOS:000306983000014 PM 22870967 ER PT J AU Sinclair, WK Morton, RA AF Sinclair, W. K. Morton, R. A. TI X-Ray Sensitivity during the Cell Generation Cycle of Cultured Chinese Hamster Cells SO RADIATION RESEARCH LA English DT Article ID MAMMALIAN CELLS; DNA-SYNTHESIS; HELA-CELLS; RADIATION; THYMIDINE; DAMAGE C1 [Sinclair, W. K.; Morton, R. A.] Argonne Natl Lab, Div Biol & Med Res, Argonne, IL 60439 USA. RP Sinclair, WK (reprint author), Argonne Natl Lab, Div Biol & Med Res, 9700 S Cass Ave, Argonne, IL 60439 USA. FU U. S. Atomic Energy Commission FX This work was supported by U. S. Atomic Energy Commission. NR 20 TC 1 Z9 1 U1 1 U2 4 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD AUG PY 2012 VL 178 IS 2 BP AV88 EP AV101 DI 10.1667/RRAV07.1 PG 14 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 981PZ UT WOS:000306983000008 PM 22870982 ER PT J AU Sinclair, WK AF Sinclair, Warren K. TI Cyclic X-Ray Responses in Mammalian Cells in Vitro SO RADIATION RESEARCH LA English DT Article ID CHINESE-HAMSTER CELLS; DIVISION CYCLE; HELA-CELLS; EXCESS THYMIDINE; TISSUE CULTURE; MITOTIC DELAY; DNA-SYNTHESIS; SENSITIVITY; IRRADIATION; SURVIVAL AB Sinclair, W. K. Cyclic X-Ray Responses in Mammalian Cells in Vitro. Radiation Res. 33, 620-643 (1968). Various radiation responses in mammalian cells depend on the position of the cell within its generation cycle (that is, its age) at the time of irradiation. Studies have most often been made by irradiating synchronized populations of cells in vitro. Results in different cell lines are not easy to compare, but an attempt has been made here to point out similarities and differences with regard to cell killing and division delay. In general, survival data obtained so far show that, in cells with a short G(1), cells are most sensitive in mitosis and in G(2) less sensitive in G(1), and least sensitive during the latter part of the S period. In cells with a long G(1), in addition to the above, there is usually a resistant phase early in G(1) followed by a sensitive stage near its end. (The latter may be as sensitive as mitosis.) Exceptions to the above, especially in some L cell sublines, have been noted, and a possible explanation is given. In Chinese hamster cells, maximum survival after irradiation occurs during S, but it does not coincide with the time of the maximum rate of DNA synthesis or with the time of the maximum number of cells in DNA synthesis, and changes in survival also occur in cells inhibited from synthesizing DNA. Rather, survival depends on the position the cell has reached in the cycle at that time, which involves not only DNA synthesis but other processes as well. Survival is not completely correlated with DNA synthesis, since halting DNA synthesis just before or just after irradiation only slightly affects survival at its maximum. Division delay exhibits a pattern of response which is similar in most cell lines. Delay is considerable for cells irradiated in mitosis, is small for cells in G(1), increases to a maximum for cells during S, and declines for cells in G(2). L cells or human kidney cells may have a longer delay for cells irradiated in G(2) than for those irradiated in S. The results can be explained in terms of a two-component model of division delay. One component results from the prolongation of the S period due to the reduced rate of DNA synthesis, and the other, a block in G(2), is independent of DNA synthesis. The proportion of the two components may vary in different cell lines. C1 Argonne Natl Lab, Div Biol & Med Res, Argonne, IL 60439 USA. RP Sinclair, WK (reprint author), Argonne Natl Lab, Div Biol & Med Res, 9700 S Cass Ave, Argonne, IL 60439 USA. FU U. S. Atomic Energy Commission FX This work was supported by the U. S. Atomic Energy Commission. NR 45 TC 1 Z9 1 U1 0 U2 4 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD AUG PY 2012 VL 178 IS 2 BP AV112 EP AV124 DI 10.1667/RRAV09.1 PG 13 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 981PZ UT WOS:000306983000010 PM 22870963 ER PT J AU Holt, RJ Gilman, R AF Holt, R. J. Gilman, R. TI Transition between nuclear and quark-gluon descriptions of hadrons and light nuclei SO REPORTS ON PROGRESS IN PHYSICS LA English DT Review ID ELECTRON-DEUTERON SCATTERING; LARGE-MOMENTUM-TRANSFER; ELECTROMAGNETIC FORM-FACTORS; STRUCTURE-FUNCTION A(Q(2)); DEEP-INELASTIC SCATTERING; QUASI-ELASTIC SCATTERING; EFFECTIVE-FIELD THEORY; COLOR-TRANSPARENCY; QUANTUM CHROMODYNAMICS; TENSOR POLARIZATION AB We provide a perspective on studies aimed at observing the transition between hadronic and quark-gluonic descriptions of reactions involving light nuclei. We begin by summarizing the results for relatively simple reactions such as the pion form factor and the neutral pion transition form factor as well as that for the nucleon and end with exclusive photoreactions in our simplest nuclei. A particular focus will be on reactions involving the deuteron. It is noted that a firm understanding of these issues is essential for unravelling important structure information from processes such as deeply virtual Compton scattering as well as deeply virtual meson production. The connection to exotic phenomena such as color transparency will be discussed. A number of outstanding challenges will require new experiments at modern facilities on the horizon as well as further theoretical developments. C1 [Holt, R. J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Gilman, R.] Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. RP Holt, RJ (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM holt@anl.gov; gilman@jlab.org RI Holt, Roy/E-5803-2011 FU Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; US National Science Foundation [PHY 09-69239] FX The authors especially thank CD Roberts, IC Cloet, D Phillips, S Wallace and W Polyzou for providing tables of their calculations, and D Dutta, M Paolone and I Pomerantz for their help in preparing several of the figures in this work. They also heartily thank K Hafidi, S Pieper, W Polyzou and C D Roberts, for extremely useful discussions. This work was supported by the Department of Energy, Office of Nuclear Physics, contract no DE-AC02-06CH11357 for Argonne National Laboratory and the US National Science Foundation grant PHY 09-69239 for Rutgers University. NR 255 TC 13 Z9 13 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0034-4885 EI 1361-6633 J9 REP PROG PHYS JI Rep. Prog. Phys. PD AUG PY 2012 VL 75 IS 8 AR 086301 DI 10.1088/0034-4885/75/8/086301 PG 24 WC Physics, Multidisciplinary SC Physics GA 979TK UT WOS:000306842500002 PM 22835935 ER PT J AU Dhodapkar, S Zaltash, A Klinzing, G AF Dhodapkar, Shrikant Zaltash, Abdolreza Klinzing, George TI Cover Story A Primer on Gas-Solids Fluidization SO CHEMICAL ENGINEERING LA English DT Article ID DRAG COEFFICIENT; VELOCITY C1 [Dhodapkar, Shrikant] Dow Chem Co USA, Dow Elastomers Proc R&D Grp, Freeport, TX 77541 USA. [Zaltash, Abdolreza] Oak Ridge Natl Lab, Bldg Equipment Res Grp, Oak Ridge, TN 37831 USA. [Klinzing, George] Univ Pittsburgh, Univ Pittsburgh CL 826, Pittsburgh, PA 15260 USA. RP Dhodapkar, S (reprint author), Dow Chem Co USA, Dow Elastomers Proc R&D Grp, Freeport, TX 77541 USA. EM sdhodapkar@dow.com; zaltasha@ornl.gov; Klinzing@engr.pitt.edu NR 14 TC 1 Z9 1 U1 1 U2 6 PU CHEMICAL WEEK ASSOC PI NEW YORK PA 110 WILLIAM ST, 11TH FL, NEW YORK, NY 10038 USA SN 0009-2460 J9 CHEM ENG-NEW YORK JI Chem. Eng. PD AUG PY 2012 VL 119 IS 8 BP 38 EP 47 PG 10 WC Engineering, Chemical SC Engineering GA 986EL UT WOS:000307323800008 ER PT J AU Jiang, XN Waliser, DE Kim, D Zhao, M Sperber, KR Stern, WF Schubert, SD Zhang, GJ Wang, WQ Khairoutdinov, M Neale, RB Lee, MI AF Jiang, Xianan Waliser, Duane E. Kim, Daehyun Zhao, Ming Sperber, Kenneth R. Stern, William F. Schubert, Siegfried D. Zhang, Guang J. Wang, Wanqiu Khairoutdinov, Marat Neale, Richard B. Lee, Myong-In TI Simulation of the intraseasonal variability over the Eastern Pacific ITCZ in climate models SO CLIMATE DYNAMICS LA English DT Article DE Intraseasonal variability; Eastern Pacific warm pool; ITCZ ID MADDEN-JULIAN OSCILLATION; GENERAL-CIRCULATION MODELS; NORTH-AMERICAN-MONSOON; WEST-AFRICAN MONSOON; COUPLED EQUATORIAL WAVES; CLOUD-RESOLVING MODEL; FORECAST SYSTEM MODEL; LARGE-SCALE MODELS; GULF-OF-MEXICO; BOREAL SUMMER AB During boreal summer, convective activity over the eastern Pacific (EPAC) inter-tropical convergence zone (ITCZ) exhibits vigorous intraseasonal variability (ISV). Previous observational studies identified two dominant ISV modes over the EPAC, i.e., a 40-day mode and a quasi-biweekly mode (QBM). The 40-day ISV mode is generally considered a local expression of the Madden-Julian Oscillation. However, in addition to the eastward propagation, northward propagation of the 40-day mode is also evident. The QBM mode bears a smaller spatial scale than the 40-day mode, and is largely characterized by northward propagation. While the ISV over the EPAC exerts significant influences on regional climate/weather systems, investigation of contemporary model capabilities in representing these ISV modes over the EPAC is limited. In this study, the model fidelity in representing these two dominant ISV modes over the EPAC is assessed by analyzing six atmospheric and three coupled general circulation models (GCMs), including one super-parameterized GCM (SPCAM) and one recently developed high-resolution GCM (GFDL HIRAM) with horizontal resolution of about 50 km. While it remains challenging for GCMs to faithfully represent these two ISV modes including their amplitude, evolution patterns, and periodicities, encouraging simulations are also noted. In general, SPCAM and HIRAM exhibit relatively superior skill in representing the two ISV modes over the EPAC. While the advantage of SPCAM is achieved through explicit representation of the cumulus process by the embedded 2-D cloud resolving models, the improved representation in HIRAM could be ascribed to the employment of a strongly entraining plume cumulus scheme, which inhibits the deep convection, and thus effectively enhances the stratiform rainfall. The sensitivity tests based on HIRAM also suggest that fine horizontal resolution could also be conducive to realistically capture the ISV over the EPAC, particularly for the QBM mode. Further analysis illustrates that the observed 40-day ISV mode over the EPAC is closely linked to the eastward propagating ISV signals from the Indian Ocean/Western Pacific, which is in agreement with the general impression that the 40-day ISV mode over the EPAC could be a local expression of the global Madden-Julian Oscillation (MJO). In contrast, the convective signals associated with the 40-day mode over the EPAC in most of the GCM simulations tend to originate between 150A degrees E and 150A degrees W, suggesting the 40-day ISV mode over the EPAC might be sustained without the forcing by the eastward propagating MJO. Further investigation is warranted towards improved understanding of the origin of the ISV over the EPAC. C1 [Jiang, Xianan; Waliser, Duane E.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Jiang, Xianan] Univ Calif Los Angeles, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA USA. [Kim, Daehyun] Columbia Univ, Lamont Doherty Earth Observ, New York, NY USA. [Zhao, Ming; Stern, William F.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA. [Sperber, Kenneth R.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Schubert, Siegfried D.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Zhang, Guang J.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Wang, Wanqiu] NOAA, Natl Ctr Environm Predict, Camp Springs, MD USA. [Khairoutdinov, Marat] SUNY Stony Brook, Inst Terr & Planetary Atmospheres, Stony Brook, NY 11794 USA. [Neale, Richard B.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Lee, Myong-In] Ulsan Natl Inst Sci & Technol, Seoul, South Korea. RP Jiang, XN (reprint author), CALTECH, Jet Prop Lab, MS 183-501,4800 Oak Grove Dr, Pasadena, CA 91109 USA. EM xianan@jifresse.ucla.edu RI Jiang, Xianan/A-2283-2012; Zhao, Ming/C-6928-2014; Sperber, Kenneth/H-2333-2012; OI Lee, Myong-In/0000-0001-8983-8624 FU NOAA CPPA program [NA09OAR4310191]; NSF Climate and Large-Scale Dynamics [ATM-0934285]; US Department of Energy Office of Science, Regional and Global Climate Modeling Program by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; NASA [NNX09AK34G]; National Aeronautics and Space Administration FX We thank anonymous reviewers for their critical comments on an earlier version of this manuscript. Thanks also to Terry Kubar for his comments and editorial assistance. The first author (XJ) acknowledges support by NOAA CPPA program under Award NA09OAR4310191 and NSF Climate and Large-Scale Dynamics under Award ATM-0934285. K. Sperber was supported under the auspices of the US Department of Energy Office of Science, Regional and Global Climate Modeling Program by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. DK was supported by NASA grant NNX09AK34G. We thank U.S. CLIVAR MJO Working Group for coordinating this model comparison activity and modeling centers for providing the model output. Part of this research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. NR 84 TC 9 Z9 9 U1 0 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 J9 CLIM DYNAM JI Clim. Dyn. PD AUG PY 2012 VL 39 IS 3-4 BP 617 EP 636 DI 10.1007/s00382-011-1098-x PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 985MQ UT WOS:000307271200006 ER PT J AU Steinhaeuser, K Ganguly, AR Chawla, NV AF Steinhaeuser, Karsten Ganguly, Auroop R. Chawla, Nitesh V. TI Multivariate and multiscale dependence in the global climate system revealed through complex networks SO CLIMATE DYNAMICS LA English DT Article DE Complex networks; Correlation; Teleconnections; Reanalysis data; Ocean meteorology ID COMMUNITY STRUCTURE; EL-NINO; TELECONNECTIONS; INCREASES; DYNAMICS; OCEAN AB A systematic characterization of multivariate dependence at multiple spatio-temporal scales is critical to understanding climate system dynamics and improving predictive ability from models and data. However, dependence structures in climate are complex due to nonlinear dynamical generating processes, long-range spatial and long-memory temporal relationships, as well as low-frequency variability. Here we utilize complex networks to explore dependence in climate data. Specifically, networks constructed from reanalysis-based atmospheric variables over oceans and partitioned with community detection methods demonstrate the potential to capture regional and global dependence structures within and among climate variables. Proximity-based dependence as well as long-range spatial relationships are examined along with their evolution over time, yielding new insights on ocean meteorology. The tools are implicitly validated by confirming conceptual understanding about aggregate correlations and teleconnections. Our results also suggest a close similarity of observed dependence patterns in relative humidity and horizontal wind speed over oceans. In addition, updraft velocity, which relates to convective activity over the oceans, exhibits short spatiotemporal decorrelation scales but long-range dependence over time. The multivariate and multi-scale dependence patterns broadly persist over multiple time windows. Our findings motivate further investigations of dependence structures among observations, reanalysis and model-simulated data to enhance process understanding, assess model reliability and improve regional climate predictions. C1 [Steinhaeuser, Karsten; Ganguly, Auroop R.] Oak Ridge Natl Lab, Geog Informat Sci & Technol Grp, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Steinhaeuser, Karsten; Chawla, Nitesh V.] Univ Notre Dame, Dept Comp Sci & Engn, Notre Dame, IN 46556 USA. [Steinhaeuser, Karsten; Chawla, Nitesh V.] Univ Notre Dame, Interdisciplinary Ctr Network Sci & Applicat, Notre Dame, IN 46556 USA. [Ganguly, Auroop R.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. RP Ganguly, AR (reprint author), Oak Ridge Natl Lab, Geog Informat Sci & Technol Grp, Computat Sci & Engn Div, 1 Bethel Valley Rd,POB 2008,MS-6017, Oak Ridge, TN 37831 USA. EM gangulyar@ornl.gov FU "Understanding Climate Change Impact: Energy, Carbon, and Water Initiative", within the LDRD Program of the Oak Ridge National Laboratory; U.S. Department of Energy [DE-AC05-00OR22725]; National Science Foundation [OCI-1029584, BCS-0826958] FX This research was performed as part of a project titled "Uncertainty Assessment and Reduction for Climate Extremes and Climate Change Impacts", which in turn was funded by the initiative called "Understanding Climate Change Impact: Energy, Carbon, and Water Initiative", within the LDRD Program of the Oak Ridge National Laboratory, managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract DE-AC05-00OR22725. Nitesh Chawla was supported in part by the National Science Foundation under Grants OCI-1029584 and BCS-0826958. The United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 32 TC 33 Z9 33 U1 2 U2 25 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD AUG PY 2012 VL 39 IS 3-4 BP 889 EP 895 DI 10.1007/s00382-011-1135-9 PG 7 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 985MQ UT WOS:000307271200022 ER PT J AU Reshetenko, TV Bender, G Bethune, K Rocheleau, R AF Reshetenko, Tatyana V. Bender, Guido Bethune, Keith Rocheleau, Richard TI Application of a segmented cell setup to detect pinhole and catalyst loading defects in proton exchange membrane fuel cells SO ELECTROCHIMICA ACTA LA English DT Article DE PEmFC; Segmented cell; Membrane pinhole; H-2-crossover; Catalyst loading defect ID GAS-DIFFUSION; PEMFC STACK; STATIONARY APPLICATIONS; IMPEDANCE SPECTROSCOPY; HYDROGEN PERMEATION; CURRENT-DENSITY; PART II; PERFORMANCE; OXYGEN; CROSSOVER AB Changes in the physical, compositional, and chemical properties of membrane electrode assemblies (MEAs) are usually considered as defects and have the potential to negatively affect fuel cell performance and durability and promote failures. Thus, studies of the defects' impacts and evaluations of the tolerance limits for properties of MEA components are important for the mass production of fuel cells: In the present paper, a segmented cell system was shown to be an appropriate method for the localization and identification of defects, such as pinholes and catalyst loading variations. The pinhole and anode loading defects were intentionally created at one of the inlet segments (segment 4), and the resulting impact was studied. The pinhole caused an increase in the H-2-crossover at the defected segment as well as downstream of the segment; it also caused a decrease in the open-circuit voltage (OCV). The pinhole was detected and localized by the application of spatial linear sweep voltammetry (LSV) for the H-2-crossover measurement and also by the application of open-circuit (OC) experiments. The decrease in the anode catalyst loading led to a local performance drop that was attributed to increased ohmic and mass transfer overpotentials. This defect caused an increase of high frequency resistance mainly due to a reduced thickness of the defected electrode area and the lack of an appropriate contact between the electrode and the gas diffusion layer. Consequently, spatial cyclic voltammetry (CV) has been shown to be capable of detecting loading defects in a segment's electrochemically active area. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Reshetenko, Tatyana V.; Bethune, Keith; Rocheleau, Richard] Univ Hawaii, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. [Bender, Guido] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Reshetenko, TV (reprint author), Univ Hawaii, Hawaii Nat Energy Inst, 1680 East West Rd,POST 109, Honolulu, HI 96822 USA. EM tatyanar@hawaii.edu FU US Department of Energy (DOE) [DE-AC36-99-GO10337] FX We gratefully acknowledge funding from the US Department of Energy (DOE) under subcontract number DE-AC36-99-GO10337. The authors are grateful to the Hawaiian Electric Company for their ongoing support to the operations of the Hawaii Fuel Cell Test Facility. The authors would like to thank Gunter Randolf for valuable discussions and support regarding solutions for the system and software design, Susanne Dorn for SEM images, Douglas Wheeler and Jean St-Pierre for discussion of the obtained data. NR 61 TC 19 Z9 19 U1 4 U2 40 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD AUG 1 PY 2012 VL 76 BP 16 EP 25 DI 10.1016/j.electacta.2012.04.138 PG 10 WC Electrochemistry SC Electrochemistry GA 976XR UT WOS:000306621200003 ER PT J AU Gilbert, NC Rui, Z Neau, DB Waight, MT Bartlett, SG Boeglin, WE Brash, AR Newcomer, ME AF Gilbert, Nathaniel C. Rui, Zhe Neau, David B. Waight, Maria T. Bartlett, Sue G. Boeglin, William E. Brash, Alan R. Newcomer, Marcia E. TI Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663 SO FASEB JOURNAL LA English DT Article DE leukotrienes; crystal structure; crystallography; eicosanoids ID ARACHIDONIC-ACID; LEUKOTRIENE BIOSYNTHESIS; CRYSTAL-STRUCTURE; HUMAN PLATELETS; PROTEIN; ACTIVATION; MODEL; 8R-LIPOXYGENASE; LIPOXYGENASES; INFLAMMATION AB The enzyme 5-lipoxygenase (5-LOX) initiates biosynthesis of the proinflammatory leukotriene lipid mediators and, together with 15-LOX, is also required for synthesis of the anti-inflammatory lipoxins. The catalytic activity of 5-LOX is regulated through multiple mechanisms, including Ca2+-targeted membrane binding and phosphorylation at specific serine residues. To investigate the consequences of phosphorylation at S663, we mutated the residue to the phosphorylation mimic Asp, providing a homogenous preparation suitable for catalytic and structural studies. The S663D enzyme exhibits robust 15-LOX activity, as determined by spectrophotometric and HPLC analyses, with only traces of 5-LOX activity remaining; synthesis of the anti-inflammatory lipoxin A(4) from arachidonic acid is also detected. The crystal structure of the S663D mutant in the absence and presence of arachidonic acid (in the context of the previously reported Stable-5-LOX) reveals substantial remodeling of helices that define the active site so that the once fully encapsulated catalytic machinery is solvent accessible. Our results suggest that phosphorylation of 5-LOX at S663 could not only down-regulate leukotriene synthesis but also stimulate lipoxin production in inflammatory cells that do not express 15-LOX, thus redirecting lipid mediator biosynthesis to the production of proresolving mediators of inflammation.-Gilbert, N. C., Rui, Z., Neau, D. B., Waight, M. T., Bartlett, S. G., Boeglin, W. E., Brash, A. R., Newcomer, M. E. Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663. FASEB J. 26, 3222-3229 (2012). www.fasebj.org C1 [Gilbert, Nathaniel C.; Rui, Zhe; Waight, Maria T.; Bartlett, Sue G.; Newcomer, Marcia E.] Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA. [Neau, David B.] Argonne Natl Lab, NE Collaborat Access Team, Argonne, IL 60439 USA. [Boeglin, William E.; Brash, Alan R.] Vanderbilt Univ, Dept Pharmacol, Nashville, TN USA. [Boeglin, William E.; Brash, Alan R.] Vanderbilt Univ, Vanderbilt Inst Chem Biol, Nashville, TN USA. RP Newcomer, ME (reprint author), Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA. EM newcomer@lsu.edu RI Rui, Zhe/D-9541-2013 OI Rui, Zhe/0000-0001-8113-2694 FU American Heart Association [08553920E]; National Science Foundation [MCB 0818387]; U.S. National Institutes of Health (NIH) [HL 107887]; NIH [GM-15431]; Louisiana Governors' Biotechnology Initiative; National Center for Research Resources [5P41RR015301-10]; National Institute of General Medical Sciences from the NIH [8 P41 GM103403-10]; U.S. DOE [DE-AC02-06CH11357] FX This work was funded in part by grants from the American Heart Association (08553920E), the National Science Foundation (MCB 0818387), and the U.S. National Institutes of Health (NIH; HL 107887) to M.E.N. and from the NIH (GM-15431) to A.R.B. Preliminary work was performed at the Center for Advanced Microstructures and Devices (Baton Rouge), funded in part by the Louisiana Governors' Biotechnology Initiative. The work includes research conducted at the Advanced Photon Source on the Northeastern Collaborative Access Team beamlines, which are supported by grants from the National Center for Research Resources (5P41RR015301-10) and the National Institute of General Medical Sciences (8 P41 GM103403-10) from the NIH. 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 DE-AC02-06CH11357. Coordinates and structure factors have been deposited in the Protein Data Bank (3V92, S663A-Stable-5-LOX; 3V98, S663D-Stable-5-LOX; 3V99, S663D-Stable-5-LOX with AA). NR 43 TC 38 Z9 38 U1 1 U2 9 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD AUG PY 2012 VL 26 IS 8 BP 3222 EP 3229 DI 10.1096/fj.12-205286 PG 8 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA 984BI UT WOS:000307162800013 PM 22516296 ER PT J AU Jiao, YQ Navid, A Stewart, BJ McKinlay, JB Thelen, MP Pett-Ridge, J AF Jiao, Yongqin Navid, Ali Stewart, Benjamin J. McKinlay, James B. Thelen, Michael P. Pett-Ridge, Jennifer TI Syntrophic metabolism of a co-culture containing Clostridium cellulolyticum and Rhodopseudomonas palustris for hydrogen production SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Biohydrogen; Fermentation; Photosynthesis; Cellulose degradation; Syntrophy; Clostridia ID RHODOBACTER-SPHAEROIDES; BIOHYDROGEN PRODUCTION; FAECALIS RLD-53; CELLULOSE; CARBON; BACTERIA; CULTURE; FERMENTATION; BUTYRICUM; EFFLUENT AB Several studies have explored combining fermentative and purple bacteria to increase hydrogen yields from carbohydrates, but the metabolic interaction between these organisms is poorly understood. In an artificial co-culture containing Clostridium cellulolyticum and Rhodopseudomonas palustris with cellulose as the sole carbon source, we examined cell growth kinetics, cellulose consumption, H-2 production, and carbon transfer from C. cellulolyticum to R. palustris. When cultured alone, C. cellulolyticum degraded only 73% of the supplied cellulose. However, in co-culture C. cellulolyticum degraded 100% of the total cellulose added (5.5 g/L) and at twice the rate of C. cellulolyticum monocultures. Concurrently, the total H-2 production by the co-culture was 1.6-times higher than that by the C. cellulolyticum monoculture. Co-culturing also resulted in a 2-fold increase in the growth rate of C. cellulolyticum and a 2.6-fold increase in final cell density. The major metabolites present in the co-culture medium include lactate, acetate and ethanol, with acetate serving as the primary metabolite transferring carbon from C. cellulolyticum to R. palustris. Our results suggest that the stimulation of bacterial growth and cellulose consumption under the co-culture conditions is likely caused by R. palustris' removal of inhibitory metabolic byproducts (i.e., pyruvate) generated during cellulose metabolism by C. cellulolyticum. Copyright (C) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Jiao, Yongqin; Navid, Ali; Stewart, Benjamin J.; Thelen, Michael P.; Pett-Ridge, Jennifer] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [McKinlay, James B.] Indiana Univ, Dept Biol, Bloomington, IN USA. RP Jiao, YQ (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave,L-452, Livermore, CA 94550 USA. EM jiao1@llnl.gov RI Thelen, Michael/C-6834-2008; Navid, Ali/A-1336-2013; Thelen, Michael/G-2032-2014 OI Thelen, Michael/0000-0002-2479-5480; Navid, Ali/0000-0003-2560-6984; Thelen, Michael/0000-0002-2479-5480 FU U.S. Department of Energy's Office of Biological and Environmental Research as part of the LLNL Biofuels Scientific Focus Area [SCW1039]; U.S. Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344] FX This work was supported by the Genomic Science Program of the U.S. Department of Energy's Office of Biological and Environmental Research under contract SCW1039, as part of the LLNL Biofuels Scientific Focus Area. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. NR 30 TC 10 Z9 10 U1 4 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD AUG PY 2012 VL 37 IS 16 BP 11719 EP 11726 DI 10.1016/j.ijhydene.2012.05.100 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 983VT UT WOS:000307147500017 ER PT J AU Minard, KR Kuprat, AP Kabilan, S Jacob, RE Einstein, DR Carson, JP Corley, RA AF Minard, Kevin R. Kuprat, Andrew P. Kabilan, Senthil Jacob, Richard E. Einstein, Daniel R. Carson, James P. Corley, Richard A. TI Phase-contrast MRI and CFD modeling of apparent He-3 gas flow in rat pulmonary airways SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE He-3 MRI; CFD; Pulmonary airflow; Convection-diffusion ID HYPERPOLARIZED HE-3; IN-VITRO; AIR-FLOW; LUNG; DIFFUSION; RESOLUTION; NMR; SIMULATIONS; VELOCIMETRY; VALIDATION AB Phase-contrast (PC) magnetic resonance imaging (MRI) with hyperpolarized He-3 is potentially useful for developing and testing patient-specific models of pulmonary airflow. One challenge, however, is that PC-MRI provides apparent values of local He-3 velocity that not only depend on actual airflow but also on gas diffusion. This not only blurs laminar flow patterns in narrow airways but also introduces anomalous airflow structure that reflects gas-wall interactions. Here, both effects are predicted in a live rat using computational fluid dynamics (CFD), and for the first time, simulated patterns of apparent He-3 gas velocity are compared with in vivo PC-MRI. Results show (1) that correlations (R-2) between measured and simulated airflow patterns increase from 0.23 to 0.79 simply by accounting for apparent He-3 transport, and (2) that remaining differences are mainly due to uncertain airway segmentation and partial volume effects stemming from relatively coarse MRI resolution. Higher-fidelity testing of pulmonary airflow predictions should therefore be possible with future imaging improvements. (C) 2012 Elsevier Inc. All rights reserved. C1 [Minard, Kevin R.; Kuprat, Andrew P.; Kabilan, Senthil; Jacob, Richard E.; Einstein, Daniel R.; Carson, James P.; Corley, Richard A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Minard, KR (reprint author), Pacific NW Natl Lab, POB 999,MSIN J4-18, Richland, WA 99352 USA. EM kevin.minard@pnnl.gov OI Kuprat, Andrew/0000-0003-4159-918X FU US Department of Energy's Office of Biological and Environmental Research; NIH NHLBI [RO1 HL073598] FX Research was performed in the Environmental Molecular Sciences Laboratory (a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research) located at Pacific Northwest National Laboratory (PNNL), and operated for DOE by Battelle. Special thanks to Angie Woodstock (PNNL) for animal handling and financial support provided by NIH NHLBI RO1 HL073598. NR 35 TC 11 Z9 11 U1 0 U2 17 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1090-7807 EI 1096-0856 J9 J MAGN RESON JI J. Magn. Reson. PD AUG PY 2012 VL 221 BP 129 EP 138 DI 10.1016/j.jmr.2012.05.007 PG 10 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA 987JZ UT WOS:000307414500018 PM 22771528 ER PT J AU Stiller, JW Perry, J Rymarquis, LA Accerbi, M Green, PJ Prochnik, S Lindquist, E Chan, CX Yarish, C Lin, SJ Zhuang, YY Blouin, NA Brawley, SH AF Stiller, John W. Perry, Justin Rymarquis, Linda A. Accerbi, Monica Green, Pamela J. Prochnik, Simon Lindquist, Erika Chan, Cheong Xin Yarish, Charles Lin, Senjie Zhuang, Yunyun Blouin, Nicolas A. Brawley, Susan H. TI MAJOR DEVELOPMENTAL REGULATORS AND THEIR EXPRESSION IN TWO CLOSELY RELATED SPECIES OF PORPHYRA (RHODOPHYTA) SO JOURNAL OF PHYCOLOGY LA English DT Article DE development; EST; evolution; homeodomain; MADS; miRNA; Porphyra; Rhodophyta; small RNA; SWI; SNF ID ALGA CHLAMYDOMONAS-REINHARDTII; CHROMATIN REMODELING COMPLEXES; SMALL RNAS; RED ALGAE; PLANT MICRORNAS; GREEN PLANTS; CELL FATE; PROTEINS; FAMILY; ARABIDOPSIS AB Little is known about the genetic and biochemical mechanisms that underlie red algal development, for example, why the group failed to evolve complex parenchyma and tissue differentiation. Here we examined expressed sequence tag (EST) data from two closely related species, Porphyra umbilicalis (L.) J. Agardh and P. purpurea (Roth) C. Agardh, for conserved developmental regulators known from model eukaryotes, and their expression levels in several developmental stages. Genes for most major developmental families were present, including MADS-box and homeodomain (HD) proteins, SNF2 chromatin-remodelers, and proteins involved in sRNA biogenesis. Some of these genes displayed altered expression correlating with different life history stages or cell types. Notably, two ESTs encoding HD proteins showed eightfold higher expression in the P. purpurea sporophyte (conchocelis) than in the gametophyte (blade), whereas two MADS domain-containing paralogs showed significantly different patterns of expression in the conchocelis and blade respectively. These developmental gene families do not appear to have undergone the kinds of dramatic expansions in copy number found in multicellular land plants and animals, which are important for regulating developmental processes in those groups. Analyses of small RNAs did not validate the presence of miRNAs, but homologs of Argonaute were present. In general, it appears that red algae began with a similar molecular toolkit for directing development as did other multicellular eukaryotes, but probably evolved altered roles for many key proteins, as well as novel mechanisms yet to be discovered. C1 [Stiller, John W.; Perry, Justin] E Carolina Univ, Dept Biol, Greenville, NC 27848 USA. [Rymarquis, Linda A.; Accerbi, Monica; Green, Pamela J.] Delaware Biotechnol Inst, Newark, DE 19711 USA. [Prochnik, Simon; Lindquist, Erika] DOE Joint Genom Inst, Walnut Creek, CA 94598 USA. [Chan, Cheong Xin] Rutgers State Univ, Dept Ecol Evolut & Nat Resources, New Brunswick, NJ 08901 USA. [Yarish, Charles] Univ Connecticut, Dept Ecol & Evolutionary Biol, Stamford, CT 06901 USA. [Lin, Senjie; Zhuang, Yunyun] Univ Connecticut, Dept Marine Sci, Groton, CT 06340 USA. [Blouin, Nicolas A.; Brawley, Susan H.] Univ Maine, Sch Marine Sci, Orono, ME 04469 USA. RP Stiller, JW (reprint author), E Carolina Univ, Dept Biol, Greenville, NC 27848 USA. EM stillerj@ecu.edu RI zhang, yaqun/J-8478-2014; Guo, chentao/G-7320-2016; OI Stiller, John/0000-0002-0668-8243; Chan, Cheong Xin/0000-0002-3729-8176 FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF Research Collaboration Network [0741907]; NOAA [NA060AR4170108]; NSF [0849586, 0946326, 0638525] FX The sequencing work in this project was conducted by the U. S. Department of Energy Joint Genome Institute, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This research also was supported by NSF Research Collaboration Network grant 0741907 to S. H. B., J.W.S., Elizabeth Gantt and Arthur Grossman, NOAA grant NA060AR4170108 to S. H. B., NSF grant 0849586 to J.W.S, and NSF grants 0946326 to P.J.G. and 0638525 to Blake C. Meyers and P.J.G. Thanks to Jixian Zhai and Blake Meyers for contributing to the miRNA identification pipeline. We also thank two anonymous reviewers for their thoughtful comments and suggestions. NR 78 TC 7 Z9 7 U1 3 U2 27 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0022-3646 EI 1529-8817 J9 J PHYCOL JI J. Phycol. PD AUG PY 2012 VL 48 IS 4 BP 883 EP 896 DI 10.1111/j.1529-8817.2012.01138.x PG 14 WC Plant Sciences; Marine & Freshwater Biology SC Plant Sciences; Marine & Freshwater Biology GA 982BM UT WOS:000307016700006 PM 27008999 ER PT J AU Demas, NG Erck, RA Ajayi, OO Fenske, GR AF Demas, Nicholaos G. Erck, Robert A. Ajayi, Oyelayo O. Fenske, George R. TI Tribological studies of coated pistons sliding against cylinder liners under laboratory test conditions SO LUBRICATION SCIENCE LA English DT Article DE piston skirt; cylinder liner; coatings; friction; wear ID ENVIRONMENT; COATINGS AB The presence of coatings and surface topography play an important role in the tribological performance of sliding components. Depending on the coating used, it is possible to reduce friction and/or reduce wear. However, although there may be low friction and wear-resistant coatings suitable for use in pistons, some coatings may hinder the tribological performance by changing the lubrication regime or by preventing additives from their intended function through chemical mechanisms. In this work, piston skirt segments extracted from a commercial aluminium alloy piston were coated with a diamond-like carbon (DLC) coating, a graphite-resin coating or a nickel-polytetrafluoroethylene (NiPTFE) coating and were tribologically tested using a reciprocating laboratory test rig against commercial grey cast iron liner segments. The tribological tests used commercial synthetic motor oil at a temperature of 120?degrees C with a 20?mm stroke length at a reciprocating frequency of 2?Hz. Results showed that the graphiteresin coating, although it may serve as a good break-in coating, wears rapidly. The NiPTFE coating showed friction reduction, whereas the DLC coating wore off quickly due to its small thickness. Furthermore, the higher hardness of the DLC coating relative to the cast iron liner surface led to pronounced changes on the liner counterface by polishing. In contrast with the uncoated piston skirt segments, all of the coatings prevented the formation of a visible tribochemical film on the cast iron surface. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Demas, Nicholaos G.; Erck, Robert A.; Ajayi, Oyelayo O.; Fenske, George R.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Demas, NG (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ndemas@anl.gov FU US Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under contract DE-AC02-06CH11357. NR 11 TC 1 Z9 1 U1 1 U2 28 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0954-0075 J9 LUBR SCI JI Lubr. Sci. PD AUG PY 2012 VL 24 IS 5 BP 216 EP 227 DI 10.1002/ls.1175 PG 12 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA 979XN UT WOS:000306857200002 ER PT J AU Almaraz-Calderon, S Tan, WP Aprahamian, A Bucher, B Roberts, A Wiescher, M AF Almaraz-Calderon, S. Tan, W. P. Aprahamian, A. Bucher, B. Roberts, A. Wiescher, M. TI Level structure of Ne-18 and its importance in the O-14(alpha,p)F-17 reaction rate SO PHYSICAL REVIEW C LA English DT Article ID HOT CNO CYCLE; NUCLEI AB The level structure of Ne-18 above the alpha-decay threshold has been studied using the O-16(He-3, n) reaction. A coincidence measurement of neutrons and charged particles decaying from populated states in Ne-18 has been made. Decay branching ratios were measured for six resonances and used to calculate the O-14(alpha,p)F-17 reaction rate which is a measure of one of two breakout paths from the hot CNO cycle. The new experimental information combined with previous experimental and theoretical information provides a more accurate calculation of the reaction rate. C1 [Almaraz-Calderon, S.; Tan, W. P.; Aprahamian, A.; Bucher, B.; Roberts, A.; Wiescher, M.] Univ Notre Dame, Nucl Sci Lab, Notre Dame, IN 46556 USA. RP Almaraz-Calderon, S (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM salmaraz@nd.edu; wtan@nd.edu RI Tan, Wanpeng/A-4687-2008 OI Tan, Wanpeng/0000-0002-5930-1823 FU National Science Foundation [PHY0758100]; Joint Institute for Nuclear Astrophysics [PHY0822648] FX This work was supported by the National Science Foundation through grant no. PHY0758100 and the Joint Institute for Nuclear Astrophysics through grant no. PHY0822648. NR 25 TC 8 Z9 8 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD AUG 1 PY 2012 VL 86 IS 2 AR 025801 DI 10.1103/PhysRevC.86.025801 PG 9 WC Physics, Nuclear SC Physics GA 981TM UT WOS:000306993600002 ER PT J AU Long, BW Yang, CJ AF Long, Bingwei Yang, C. -J. TI Short-range nuclear forces in singlet channels SO PHYSICAL REVIEW C LA English DT Article ID EFFECTIVE-FIELD THEORY; TO-LEADING ORDER; CHIRAL LAGRANGIANS; 2-NUCLEON SYSTEM; NN-SCATTERING; RENORMALIZATION; EXCHANGE; PIONS AB Continuing our effort to build a consistent power counting for chiral nuclear effective field theory (EFT), we discuss the subleading contact interactions, or counterterms, in the singlet channels of nucleon-nucleon scattering, with renormalization group invariance as the constraint. We argue that the rather large cutoff error of the leading amplitude requires O(Q) of the EFT expansion to be nonvanishing, contrary to Weinberg's original power counting. This, together with the ultraviolet divergences of two-pion exchanges in the distorted-wave expansion, leads to enhancement of the S-1(0) counterterms and results in a pionless-theory-like power counting for the singlet channels. C1 [Long, Bingwei] EBAC, Jefferson Lab, Newport News, VA 23606 USA. [Yang, C. -J.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. RP Long, BW (reprint author), EBAC, Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM bingwei@jlab.org; cjyang@email.arizona.edu FU US DOE [DE-AC05-06OR23177, DE-FG02-04ER41338]; NSF [PHYS-0854912] FX We thank Bira van Kolck and Daniel Phillips for their encouragement and critical discussions on the topic, and Martin Savage for reminding us of the mpi dependence of the leading counterterm. We are grateful for hospitality to the National Institute for Nuclear Theory (INT) at the University of Washington and the organizers of the INT program "Simulations and Symmetries: Cold Atoms, QCD, and Few-hadron Systems," in which the work was stimulated. B.w.L. thanks the nuclear theory group at the George Washington University and the TQHN group at the University of Maryland for their hospitality and Harald Greisshammer and Paulo Bedaque for useful discussions. C.J.Y. thanks B. Barrett for his valuable support. This work is supported by the US DOE under Contracts No. DE-AC05-06OR23177 (B.w.L.) and No. DE-FG02-04ER41338 (C.J.Y.), and by the NSF under Grant No. PHYS-0854912 (C.J.Y.), and is coauthored by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. NR 60 TC 18 Z9 19 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD AUG 1 PY 2012 VL 86 IS 2 AR 024001 DI 10.1103/PhysRevC.86.024001 PG 11 WC Physics, Nuclear SC Physics GA 981TM UT WOS:000306993600001 ER PT J AU Crease, RP AF Crease, Robert P. TI Critical Point Transit watching SO PHYSICS WORLD LA English DT Editorial Material C1 [Crease, Robert P.] SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11790 USA. [Crease, Robert P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Crease, RP (reprint author), SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11790 USA. EM rcrease@notes.cc.sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8585 J9 PHYS WORLD JI Phys. World PD AUG PY 2012 VL 25 IS 8 BP 16 EP 16 PG 1 WC Physics, Multidisciplinary SC Physics GA 991CT UT WOS:000307679800012 ER PT J AU Von White, G Smith, JN Clough, RL Ohlhausen, JA Hochrein, JM Bernstein, R AF Von White, Gregory, II Smith, Jonell N. Clough, Roger L. Ohlhausen, James A. Hochrein, James M. Bernstein, Robert TI The origins of CO2 and NH3 in the thermal-oxidative degradation of nylon 6.6 SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE Carbon dioxide; Ammonia; Isotopic labeling; Nylon degradation; Oxidation; Degradation mechanisms ID SOLID-PHASE MICROEXTRACTION; THERMOOXIDATIVE DEGRADATION; RADIATION-OXIDATION; POLYAMIDE 6,6; POLYPROPYLENE; PRODUCTS; MECHANISM; INSIGHTS; NMR; 2-CYCLOPENTYL-CYCLOPENTANONE AB Oxidation of organic materials typically results in the outgassing of degradation compounds. The most abundant outgassing thermal-oxidative degradation species of nylon 6.6 are known to be carbon dioxide (CO2) and ammonia (NH3). By performing accelerated aging experiments under thermal-oxidative conditions on unlabeled, C-13, and N-15 isotopically labeled nylon 6.6 polymers, we identified the origins of CO2 and NH3 as a means to gain insight of the underlying chemical pathways which lead to their formation. Additionally, an isotopically enriched oxygen environment (O-18(2)) was used in experiments tailored to discriminate between oxygen originating from the carbonyl carbon in nylon 6.6 and oxygen originating from the ambient air environment. To our knowledge, this work is the first ever account which quantitatively distinguishes oxygen containing degradation species originating from the polymer backbone and oxygen species coming from the ambient air during the oxidation process. Cryofocusing gas chromatography-mass spectrometry (cryo-GC/MS) performed on the outgassed products demonstrated the presence of CO2, (CO2)-C-13, (COO)-O-18, (CO2)-O-18, NH3, and (NH3)-N-15. We show that approximately 42% of the CO2 formed comes from the carbonyl carbon atoms in the interior of the macromolecular chain. About 15% of the CO2 originates from the methylene groups adjacent to the nitrogen atoms within the chain, while about 25% originates from all of the other methylene carbons in the nylon repeat unit. Approximately 18% of the CO2 came from chain-end carboxylic acid groups in the nylon, indicative of end group concentration. The agreement of isotopic labeling between nylon and ammonia confirms that the source of ammonia in the degradation experiments is nylon and not some nitrogen-containing impurity (e.g., solvent) in the material. Identification of these species was pertinent in developing an enhanced understanding of the chemical degradation processes. Most importantly, the methodologies employed in this work may be extended to other organic materials and likely leveraged towards future sensor development in applications that aim to provide condition monitoring of aging materials. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Von White, Gregory, II; Smith, Jonell N.; Clough, Roger L.; Ohlhausen, James A.; Hochrein, James M.; Bernstein, Robert] Sandia Natl Labs, Organ Mat Dept, Albuquerque, NM 87185 USA. RP Von White, G (reprint author), Sandia Natl Labs, Organ Mat Dept, POB 5800,MS 0888, Albuquerque, NM 87185 USA. EM gvwhite@sandia.gov RI White II, Gregory/F-8267-2013; Bernstein, Robert/F-8396-2013 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. A special note of thanks is given to Michael I. White for his help in gas sampling experiments and Todd M. Alam for help with NMR end group analysis of our nylon samples. NR 34 TC 5 Z9 5 U1 1 U2 31 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD AUG PY 2012 VL 97 IS 8 BP 1396 EP 1404 DI 10.1016/j.polymdegradstab.2012.05.018 PG 9 WC Polymer Science SC Polymer Science GA 980IJ UT WOS:000306886500019 ER PT J AU Pozzi, ECC Cardoso, JE Colombo, LL Thorp, S Hughes, AM Molinari, AJ Garabalino, MA Heber, EM Miller, M Itoiz, ME Aromando, RF Nigg, DW Quintana, J Trivillin, VA Schwint, AE AF Pozzi, Emiliano C. C. Cardoso, Jorge E. Colombo, Lucas L. Thorp, Silvia Monti Hughes, Andrea Molinari, Ana J. Garabalino, Marcela A. Heber, Elisa M. Miller, Marcelo Itoiz, Maria E. Aromando, Romina F. Nigg, David W. Quintana, Jorge Trivillin, Veronica A. Schwint, Amanda E. TI Boron neutron capture therapy (BNCT) for liver metastasis: therapeutic efficacy in an experimental model SO RADIATION AND ENVIRONMENTAL BIOPHYSICS LA English DT Article DE Boron neutron capture therapy; BNCT; Liver metastasis; Experimental model; BDIX rats; DHD/K12/TRb cells ID UNRESECTABLE HEPATOCELLULAR-CARCINOMA; EXPERIMENTAL ORAL-CANCER; HAMSTER-CHEEK POUCH; COLORECTAL-CANCER; CLINICAL-TRIAL; TUMORS; RADIOTHERAPY; IRRADIATION; FACILITY; REACTOR AB Boron neutron capture therapy (BNCT) was proposed for untreatable colorectal liver metastases. The present study evaluates tumor control and potential radiotoxicity of BNCT in an experimental model of liver metastasis. BDIX rats were inoculated with syngeneic colon cancer cells DHD/K12/TRb. Tumor-bearing animals were divided into three groups: BPA-BNCT, boronophenylalanine (BPA) + neutron irradiation; Beam only, neutron irradiation; Sham, matched manipulation. The total absorbed dose administered with BPA-BNCT was 13 +/- A 3 Gy in tumor and 9 +/- A 2 Gy in healthy liver. Three weeks post-treatment, the tumor surface area post-treatment/pre-treatment ratio was 0.46 +/- A 0.20 for BPA-BNCT, 2.7 +/- A 1.8 for Beam only and 4.5 +/- A 3.1 for Sham. The pre-treatment tumor nodule mass of 48 +/- A 19 mg fell significantly to 19 +/- A 16 mg for BPA-BNCT, but rose significantly to 140 +/- A 106 mg for Beam only and to 346 +/- A 302 mg for Sham. For both end points, the differences between the BPA-BNCT group and each of the other groups were statistically significant (ANOVA). No clinical, macroscopic or histological normal liver radiotoxicity was observed. It is concluded that BPA-BNCT induced a significant remission of experimental colorectal tumor nodules in liver with no contributory liver toxicity. C1 [Pozzi, Emiliano C. C.; Monti Hughes, Andrea; Molinari, Ana J.; Garabalino, Marcela A.; Heber, Elisa M.; Itoiz, Maria E.; Aromando, Romina F.; Trivillin, Veronica A.; Schwint, Amanda E.] Natl Atom Energy Commiss, Dept Radiobiol, San Martin, Buenos Aires, Argentina. [Pozzi, Emiliano C. C.; Quintana, Jorge] Natl Atom Energy Commiss, Dept Res & Prod Reactors, Ezeiza, Buenos Aires, Argentina. [Cardoso, Jorge E.; Colombo, Lucas L.] Oncol Inst Angel H Roffo, Buenos Aires, DF, Argentina. [Thorp, Silvia; Miller, Marcelo] Natl Atom Energy Commiss, Dept Instrumentat & Control, Ezeiza, Buenos Aires, Argentina. [Itoiz, Maria E.; Aromando, Romina F.] Univ Buenos Aires, Dept Oral Pathol, Fac Dent, RA-1122 Buenos Aires, DF, Argentina. [Nigg, David W.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Trivillin, Veronica A.; Schwint, Amanda E.] Natl Res Council CONICET, Buenos Aires, DF, Argentina. RP Schwint, AE (reprint author), Natl Atom Energy Commiss, Dept Radiobiol, Ave Gen Paz 1499,B1650KNA, San Martin, Buenos Aires, Argentina. EM schwint@cnea.gov.ar FU National Agency for the Promotion of Science and Technology of Argentina (ANPCyT); National Research Council of Argentina (CONICET) FX This study was supported in part by in-kind contributions from the US Department of Energy through Idaho National Laboratory, a grant from the National Agency for the Promotion of Science and Technology of Argentina (ANPCyT) and a grant from the National Research Council of Argentina (CONICET). The study sponsors were not involved in the study. The authors are indebted to the expert Maintenance, Radioprotection and Operation teams of RA-3. NR 53 TC 10 Z9 10 U1 3 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0301-634X J9 RADIAT ENVIRON BIOPH JI Radiat. Environ. Biophys. PD AUG PY 2012 VL 51 IS 3 BP 331 EP 339 DI 10.1007/s00411-012-0419-8 PG 9 WC Biology; Biophysics; Environmental Sciences; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Environmental Sciences & Ecology; Radiology, Nuclear Medicine & Medical Imaging GA 977VX UT WOS:000306694000011 PM 22544068 ER PT J AU Franco, H Puerta, L Murgich, J Mujica, V AF Franco, H. Puerta, L. Murgich, J. Mujica, V. TI Simulation of adsorption on surfaces from ab initio calculations on clusters of nano gold atoms SO REVISTA MEXICANA DE FISICA LA Spanish DT Article ID SELF-ASSEMBLED MONOLAYERS; ORGANIZED ORGANIC LAYERS; MAGNETIC-PROPERTIES; DFT C1 [Franco, H.; Mujica, V.] Cent Univ Venezuela, Escuela Quim, Fac Ciencias, Caracas, Venezuela. [Puerta, L.] Facyt Univ Carabobo, Dept Quim, Lab PHD, Carabobo, Venezuela. [Murgich, J.] Inst Venezolano Invest Cient, Ctr Quim, Caracas 1041A, Venezuela. [Mujica, V.] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. [Mujica, V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Franco, H (reprint author), Cent Univ Venezuela, Escuela Quim, Fac Ciencias, Apartado 47102, Caracas, Venezuela. NR 27 TC 0 Z9 0 U1 1 U2 9 PU SOC MEXICANA FISICA PI COYOACAN PA APARTADO POSTAL 70-348, COYOACAN 04511, MEXICO SN 0035-001X J9 REV MEX FIS JI Rev. Mex. Fis. PD AUG PY 2012 VL 58 IS 4 BP 317 EP 323 PG 7 WC Physics, Multidisciplinary SC Physics GA 983OP UT WOS:000307128900006 ER PT J AU Ackermann, M Ajello, M Baldini, L Barbiellini, G Baring, MG Bechtol, K Bellazzini, R Blandford, RD Bloom, ED Bonamente, E Borgland, AW Bottacini, E Bouvier, A Brigida, M Buehler, R Buson, S Caliandro, GA Cameron, RA Cecchi, C Charles, E Chekhtman, A Chiang, J Ciprini, S Claus, R Cohen-Tanugi, J Cutini, S D'Ammando, F de Palma, F Dermer, CD Silva, EDE Drell, PS Drlica-Wagner, A Favuzzi, C Fukazawa, Y Fusco, P Gargano, F Gasparrini, D Gehrels, N Germani, S Giglietto, N Giordano, F Giroletti, M Glanzman, T Granot, J Grenier, IA Grove, JE Hadasch, D Hanabata, Y Harding, AK Hays, E Horan, D Johannesson, G Kataoka, J Knodlseder, J Kocevski, D Kuss, M Lande, J Longo, F Loparco, F Lovellette, MN Lubrano, P Mazziotta, MN McEnery, J McGlynn, S Michelson, PF Mitthumsiri, W Monzani, ME Moretti, E Morselli, A Moskalenko, IV Murgia, S Naumann-Godo, M Norris, JP Nuss, E Nymark, T Ohsugi, T Okumura, A Omodei, N Orlando, E Panetta, JH Parent, D Pelassa, V Pesce-Rollins, M Piron, F Pivato, G Racusin, JL Raino, S Rando, R Razzaque, S Reimer, A Reimer, O Ritz, S Ryde, F Sgro, C Siskind, EJ Sonbas, E Spandre, G Spinelli, P Stamatikos, M Stawarz, E Suson, DJ Takahashi, H Tanaka, T Thayer, JG Thayer, JB Tibaldo, L Tinivella, M Tosti, G Uehara, T Vandenbroucke, J Vasileiou, V Vianello, G Vitale, V Waite, AP Connaughton, V Briggs, MS Guirec, S Goldstein, A Burgess, JM Bhat, PN Bissaldi, E Camero-Arranz, A Fishman, J Fitzpatrick, G Foley, S Gruber, D Jenke, P Kippen, RM Kouveliotou, C McBreen, S Meegan, C Paciesas, WS Preece, R Rau, A Tierney, D van der Horst, AJ von Kienlin, A Wilson-Hodge, C Xiong, S AF Ackermann, M. Ajello, M. Baldini, L. Barbiellini, G. Baring, M. G. Bechtol, K. Bellazzini, R. Blandford, R. D. Bloom, E. D. Bonamente, E. Borgland, A. W. Bottacini, E. Bouvier, A. Brigida, M. Buehler, R. Buson, S. Caliandro, G. A. Cameron, R. A. Cecchi, C. Charles, E. Chekhtman, A. Chiang, J. Ciprini, S. Claus, R. Cohen-Tanugi, J. Cutini, S. D'Ammando, F. de Palma, F. Dermer, C. D. do Couto e Silva, E. Drell, P. S. Drlica-Wagner, A. Favuzzi, C. Fukazawa, Y. Fusco, P. Gargano, F. Gasparrini, D. Gehrels, N. Germani, S. Giglietto, N. Giordano, F. Giroletti, M. Glanzman, T. Granot, J. Grenier, I. A. Grove, J. E. Hadasch, D. Hanabata, Y. Harding, A. K. Hays, E. Horan, D. Johannesson, G. Kataoka, J. Knoedlseder, J. Kocevski, D. Kuss, M. Lande, J. Longo, F. Loparco, F. Lovellette, M. N. Lubrano, P. Mazziotta, M. N. McEnery, J. McGlynn, S. Michelson, P. F. Mitthumsiri, W. Monzani, M. E. Moretti, E. Morselli, A. Moskalenko, I. V. Murgia, S. Naumann-Godo, M. Norris, J. P. Nuss, E. Nymark, T. Ohsugi, T. Okumura, A. Omodei, N. Orlando, E. Panetta, J. H. Parent, D. Pelassa, V. Pesce-Rollins, M. Piron, F. Pivato, G. Racusin, J. L. Raino, S. Rando, R. Razzaque, S. Reimer, A. Reimer, O. Ritz, S. Ryde, F. Sgro, C. Siskind, E. J. Sonbas, E. Spandre, G. Spinelli, P. Stamatikos, M. Stawarz, Eukasz Suson, D. J. Takahashi, H. Tanaka, T. Thayer, J. G. Thayer, J. B. Tibaldo, L. Tinivella, M. Tosti, G. Uehara, T. Vandenbroucke, J. Vasileiou, V. Vianello, G. Vitale, V. Waite, A. P. Connaughton, V. Briggs, M. S. Guirec, S. Goldstein, A. Burgess, J. M. Bhat, P. N. Bissaldi, E. Camero-Arranz, A. Fishman, J. Fitzpatrick, G. Foley, S. Gruber, D. Jenke, P. Kippen, R. M. Kouveliotou, C. McBreen, S. Meegan, C. Paciesas, W. S. Preece, R. Rau, A. Tierney, D. van der Horst, A. J. von Kienlin, A. Wilson-Hodge, C. Xiong, S. CA Fermi Large Area Telescope Team Fermi Gamma-ray Burst Monitor Team TI CONSTRAINING THE HIGH-ENERGY EMISSION FROM GAMMA-RAY BURSTS WITH FERMI SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma-ray burst: general; gamma rays: general ID LARGE-AREA TELESCOPE; SPECTRAL COMPONENT; BATSE OBSERVATIONS; LORENTZ FACTORS; GRB 100724B; CATALOG; LIMITS; HARD; SPECTROSCOPY; PHOTONS AB We examine 288 gamma-ray bursts (GRBs) detected by the Fermi Gamma-ray Space Telescope's Gamma-ray Burst Monitor (GBM) that fell within the field of view of Fermi's Large Area Telescope (LAT) during the first 2.5 years of observations, which showed no evidence for emission above 100 MeV. We report the photon flux upper limits in the 0.1-10 GeV range during the prompt emission phase as well as for fixed 30 s and 100 s integrations starting from the trigger time for each burst. We compare these limits with the fluxes that would be expected from extrapolations of spectral fits presented in the first GBM spectral catalog and infer that roughly half of the GBM-detected bursts either require spectral breaks between the GBM and LAT energy bands or have intrinsically steeper spectra above the peak of the nu F-nu spectra (E-pk). In order to distinguish between these two scenarios, we perform joint GBM and LAT spectral fits to the 30 brightest GBM-detected bursts and find that a majority of these bursts are indeed softer above E-pk than would be inferred from fitting the GBM data alone. Approximately 20% of this spectroscopic subsample show statistically significant evidence for a cutoff in their high-energy spectra, which if assumed to be due to gamma gamma attenuation, places limits on the maximum Lorentz factor associated with the relativistic outflow producing this emission. All of these latter bursts have maximum Lorentz factor estimates that are well below the minimum Lorentz factors calculated for LAT-detected GRBs, revealing a wide distribution in the bulk Lorentz factor of GRB outflows and indicating that LAT-detected bursts may represent the high end of this distribution. C1 [Ackermann, M.] Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. [Ajello, M.; Bechtol, K.; Blandford, R. D.; Bloom, E. D.; Borgland, A. W.; Bottacini, E.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; do Couto e Silva, E.; Drell, P. S.; Drlica-Wagner, A.; Glanzman, T.; Kocevski, D.; Lande, J.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Okumura, A.; Omodei, N.; Orlando, E.; Panetta, J. H.; Reimer, A.; Reimer, O.; Tanaka, T.; Thayer, J. G.; Thayer, J. B.; Vandenbroucke, J.; Vianello, G.; Waite, A. P.] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Ajello, M.; Bechtol, K.; Blandford, R. D.; Bloom, E. D.; Borgland, A. W.; Bottacini, E.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; do Couto e Silva, E.; Drell, P. S.; Drlica-Wagner, A.; Glanzman, T.; Kocevski, D.; Lande, J.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Okumura, A.; Omodei, N.; Orlando, E.; Panetta, J. H.; Reimer, A.; Reimer, O.; Tanaka, T.; Thayer, J. G.; Thayer, J. B.; Vandenbroucke, J.; Vianello, G.; Waite, A. P.] Stanford Univ, Dept Phys, Kavli Inst Particle Astrophys & Cosmol, WW Hansen Expt Phys Lab, Stanford, CA 94305 USA. [Baldini, L.; Bellazzini, R.; Kuss, M.; Pesce-Rollins, M.; Sgro, C.; Spandre, G.; Tinivella, M.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Barbiellini, G.; Longo, F.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Barbiellini, G.; Longo, F.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Baring, M. G.] Rice Univ, Dept Phys & Astron, Houston, TX 77251 USA. [Bonamente, E.; Cecchi, C.; Germani, S.; Lubrano, P.; Tosti, G.] Ist Nazl Fis Nucl, Sez Perugia, I-06123 Perugia, Italy. [Bonamente, E.; Cecchi, C.; Ciprini, S.; Germani, S.; Lubrano, P.; Tosti, G.] Univ Perugia, Dipartimento Fis, I-06123 Perugia, Italy. [Bouvier, A.; Ritz, S.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Dept Phys, Santa Cruz, CA 95064 USA. [Bouvier, A.; Ritz, S.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Giglietto, N.; Giordano, F.; Loparco, F.; Raino, S.; Spinelli, P.] Univ Politecn Bari, Dipartimento Fis M Merlin, I-70126 Bari, Italy. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Gargano, F.; Giglietto, N.; Giordano, F.; Loparco, F.; Mazziotta, M. N.; Raino, S.; Spinelli, P.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Buson, S.; Rando, R.; Tibaldo, L.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Buson, S.; Pivato, G.; Rando, R.; Tibaldo, L.] Univ Padua, Dipartimento Fis G Galilei, I-35131 Padua, Italy. [Caliandro, G. A.; Hadasch, D.] Inst Ciencies Espai IEEE CSIC, E-08193 Barcelona, Spain. [Chekhtman, A.] Artep Inc, Ellicott City, MD 21042 USA. [Ciprini, S.; Cutini, S.; Gasparrini, D.] Agenzia Spaziale Italiana, Sci Data Ctr, I-00044 Frascati, Roma, Italy. [Cohen-Tanugi, J.; Nuss, E.; Piron, F.; Vasileiou, V.] Univ Montpellier 2, Lab Universe & Particules Montpellier, CNRS, IN2P3, Montpellier, France. [Chekhtman, A.; D'Ammando, F.] IASF Palermo, I-90146 Palermo, Italy. [D'Ammando, F.] INAF Ist Astrofis Spaziale Fis & Cosm, I-00133 Rome, Italy. [Dermer, C. D.; Grove, J. E.; Lovellette, M. N.] USN, Res Lab, Div Space Sci, Washington, DC 20375 USA. [Fukazawa, Y.; Hanabata, Y.; Uehara, T.] Hiroshima Univ, Dept Phys Sci, Hiroshima 7398526, Japan. [Gehrels, N.; Harding, A. K.; Hays, E.; McEnery, J.; Racusin, J. L.; Sonbas, E.; Stamatikos, M.; Guirec, S.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Giroletti, M.] INAF Ist Radioastron, I-40129 Bologna, Italy. [Granot, J.] Open Univ Israel, Dept Nat Sci, IL-43537 Raanana, Israel. [Grenier, I. A.; Naumann-Godo, M.] Univ Paris Diderot, CEA Saclay, Serv Astrophys, Lab AIM,CEA IRFU,CNRS, F-91191 Gif Sur Yvette, France. [Horan, D.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Johannesson, G.] Univ Iceland, Inst Sci, IS-107 Reykjavik, Iceland. [Kataoka, J.] Waseda Univ, Res Inst Sci & Engn, Shinjuku Ku, Tokyo 1698555, Japan. [Knoedlseder, J.] IRAP, CNRS, F-31028 Toulouse 4, France. [Knoedlseder, J.] Univ Toulouse, GAHEC, UPS OMP, IRAP, Toulouse, France. [McGlynn, S.] Tech Univ Munich, D-85748 Garching, Germany. [Moretti, E.; Nymark, T.; Ryde, F.] Royal Inst Technol KTH, Dept Phys, SE-10691 Stockholm, Sweden. [Moretti, E.; Nymark, T.; Ryde, F.] Oskar Klein Ctr Cosmoparticle Phys, SE-10691 Stockholm, Sweden. [Morselli, A.; Vitale, V.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Norris, J. P.] Boise State Univ, Dept Phys, Boise, ID 83725 USA. [Ohsugi, T.; Takahashi, H.] Hiroshima Univ, Hiroshima Astrophys Sci Ctr, Hiroshima 7398526, Japan. [Okumura, A.; Stawarz, Eukasz] JAXA, Inst Space & Astronaut Sci, Chuo Ku, Sagamihara, Kanagawa 2525210, Japan. [Orlando, E.; Foley, S.; Gruber, D.; McBreen, S.; Rau, A.; von Kienlin, A.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Parent, D.; Razzaque, S.] George Mason Univ, Coll Sci, Ctr Earth Observing & Space Res, Fairfax, VA 22030 USA. [Bouvier, A.; Pelassa, V.; Connaughton, V.; Briggs, M. S.; Goldstein, A.; Burgess, J. M.; Bhat, P. N.; Fishman, J.; Paciesas, W. S.; Preece, R.; Xiong, S.] Univ Alabama, CSPAR, Huntsville, AL 35899 USA. [Reimer, A.; Reimer, O.; Bissaldi, E.] Leopold Franzens Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria. [Reimer, A.; Reimer, O.; Bissaldi, E.] Leopold Franzens Univ Innsbruck, Inst Astro & Teilchenphys, A-6020 Innsbruck, Austria. [Siskind, E. J.] NYCB Real Time Comp Inc, Lattingtown, NY 11560 USA. [Sonbas, E.] Adiyaman Univ, Dept Phys, TR-02040 Adiyaman, Turkey. [Sonbas, E.; Camero-Arranz, A.; Meegan, C.] USRA, Columbia, MD 21044 USA. [Stamatikos, M.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Dept Phys, Columbus, OH 43210 USA. [Stawarz, Eukasz] Jagiellonian Univ, Astron Observ, PL-30244 Krakow, Poland. [Suson, D. J.] Purdue Univ Calumet, Dept Chem & Phys, Hammond, IN 46323 USA. [Vianello, G.] CIFS, I-10133 Turin, Italy. [Vitale, V.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Camero-Arranz, A.; Jenke, P.; Kouveliotou, C.; van der Horst, A. J.; Wilson-Hodge, C.] NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35812 USA. [Fitzpatrick, G.; Foley, S.; McBreen, S.; Tierney, D.] Natl Univ Ireland Univ Coll Dublin, Dublin 4, Ireland. [Kippen, R. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Connaughton, V.; Briggs, M. S.] Univ Alabama, Dept Phys, Huntsville, AL 35899 USA. RP Ackermann, M (reprint author), Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. EM valerie@nasa.gov; jchiang@slac.stanford.edu; kocevski@slac.stanford.edu; moretti@particle.kth.se; connauv@uah.edu; michael.briggs@nasa.gov RI Hays, Elizabeth/D-3257-2012; Morselli, Aldo/G-6769-2011; Johannesson, Gudlaugur/O-8741-2015; Loparco, Francesco/O-8847-2015; Gargano, Fabio/O-8934-2015; Moskalenko, Igor/A-1301-2007; Kuss, Michael/H-8959-2012; giglietto, nicola/I-8951-2012; Racusin, Judith/D-2935-2012; Harding, Alice/D-3160-2012; Reimer, Olaf/A-3117-2013; Tosti, Gino/E-9976-2013; Rando, Riccardo/M-7179-2013; Sgro, Carmelo/K-3395-2016; Bissaldi, Elisabetta/K-7911-2016; Orlando, E/R-5594-2016; OI Morselli, Aldo/0000-0002-7704-9553; Johannesson, Gudlaugur/0000-0003-1458-7036; Loparco, Francesco/0000-0002-1173-5673; Gargano, Fabio/0000-0002-5055-6395; Moskalenko, Igor/0000-0001-6141-458X; giglietto, nicola/0000-0002-9021-2888; Reimer, Olaf/0000-0001-6953-1385; Moretti, Elena/0000-0001-5477-9097; Gasparrini, Dario/0000-0002-5064-9495; Baldini, Luca/0000-0002-9785-7726; Bissaldi, Elisabetta/0000-0001-9935-8106; Giordano, Francesco/0000-0002-8651-2394; Preece, Robert/0000-0003-1626-7335; Sgro', Carmelo/0000-0001-5676-6214; SPINELLI, Paolo/0000-0001-6688-8864; Rando, Riccardo/0000-0001-6992-818X; Burgess, James/0000-0003-3345-9515; Omodei, Nicola/0000-0002-5448-7577; Pesce-Rollins, Melissa/0000-0003-1790-8018; Giroletti, Marcello/0000-0002-8657-8852; McBreen, Sheila/0000-0002-1477-618X; Mazziotta, Mario Nicola/0000-0001-9325-4672 FU Istituto Nazionale di Astrofisica in Italy; Centre National d'Etudes Spatiales in France FX Additional support for science analysis during the operations phase is gratefully acknowledged from the Istituto Nazionale di Astrofisica in Italy and the Centre National d'Etudes Spatiales in France. NR 43 TC 33 Z9 33 U1 0 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2012 VL 754 IS 2 AR 121 DI 10.1088/0004-637X/754/2/121 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 977MO UT WOS:000306666700042 ER PT J AU Ford, J Hildebrandt, H Van Waerbeke, L Leauthaud, A Capak, P Finoguenov, A Tanaka, M George, MR Rhodes, J AF Ford, Jes Hildebrandt, Hendrik Van Waerbeke, Ludovic Leauthaud, Alexie Capak, Peter Finoguenov, Alexis Tanaka, Masayuki George, Matthew R. Rhodes, Jason TI MAGNIFICATION BY GALAXY GROUP DARK MATTER HALOS SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: photometry ID LYMAN-BREAK GALAXIES; LENSING MAGNIFICATION; COSMIC MAGNIFICATION; LUMINOSITY FUNCTION; DEEP FIELDS; WEAK; SHEAR; MASS; CHALLENGE; ACCURACY AB We report on the detection of gravitational lensing magnification by a population of galaxy groups, at a significance level of 4.9s. Using X-ray-selected groups in the COSMOS 1.64 deg(2) field, and high-redshift Lyman break galaxies as sources, we measure a lensing-induced angular cross-correlation between the samples. After satisfying consistency checks that demonstrate we have indeed detected a magnification signal, and are not suffering from contamination by physical overlap of samples, we proceed to implement an optimally weighted cross-correlation function to further boost the signal to noise of the measurement. Interpreting this optimally weighted measurement allows us to study properties of the lensing groups. We model the full distribution of group masses using a composite-halo approach, considering both the singular isothermal sphere and Navarro-Frenk-White profiles, and find our best-fit values to be consistent with those recovered using the weak-lensing shear technique. We argue that future weak-lensing studies will need to incorporate magnification along with shear, both to reduce residual systematics and to make full use of all available source information, in an effort to maximize scientific yield of the observations. C1 [Ford, Jes; Hildebrandt, Hendrik; Van Waerbeke, Ludovic] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Hildebrandt, Hendrik] Argelander Inst Astron, D-53121 Bonn, Germany. [Leauthaud, Alexie; Tanaka, Masayuki] Univ Tokyo, Inst Phys & Math Universe, Chiba 2778582, Japan. [Capak, Peter] CALTECH, NASA Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Finoguenov, Alexis] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Finoguenov, Alexis] Univ Maryland Baltimore Cty, Ctr Space Sci Technol, Baltimore, MD 21250 USA. [George, Matthew R.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [George, Matthew R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Rhodes, Jason] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Rhodes, Jason] CALTECH, Dept Phys Math & Astron, Pasadena, CA 91125 USA. RP Ford, J (reprint author), Univ British Columbia, Dept Phys & Astron, 6224 Agr Rd, Vancouver, BC V6T 1Z1, Canada. OI Ford, Jes/0000-0002-2946-3776 FU JPL [1394704]; NSERC; CIfAR; Marie Curie IOF [252760]; CITA National Fellowship; World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan FX The authors thank Fabian Schmidt and Martha Milkeraitis for useful discussions related to this work. J.F. was supported by JPL grant No. 1394704, and is now supported by NSERC and CIfAR. H.H. is supported by the Marie Curie IOF 252760 and by a CITA National Fellowship. This work was performed in part at JPL, run by Caltech under a contract for NASA. This work was supported by World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan. This work is based in part on data collected at Subaru Telescope, which is operated by the National Astronomical Observatory of Japan, and on observations made with the NASA/ESA Hubble Space Telescope. This research has made use of the NASA/IPAC Infrared Science Archive, which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. This work is also based on observations obtained with MegaPrime/MegaCam, a joint project of CFHT and CEA/DAPNIA, at the Canada-France-Hawaii Telescope (CFHT) which is operated by the National Research Council (NRC) of Canada, the Institute National des Sciences de l'Univers of the Centre National de la Recherche Scientifique of France, and the University of Hawaii. NR 33 TC 29 Z9 29 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2012 VL 754 IS 2 AR 143 DI 10.1088/0004-637X/754/2/143 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 977MO UT WOS:000306666700064 ER PT J AU Gnedin, NY AF Gnedin, Nickolay Y. TI ON THE BARYONIC CONTENTS OF LOW-MASS GALAXIES SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: dwarf; galaxies: irregular; galaxies: kinematics and dynamics; galaxies: spiral; methods: numerical ID TULLY-FISHER RELATION; DWARF GALAXIES; STAR-FORMATION; LAMBDA-CDM; ROTATION CURVES; HIGH-REDSHIFT; STELLAR MASS; GAS; IMPACT; HALOS AB The baryonic Tully-Fisher relation is an important observational constraint on cosmological and galactic models. However, it is critical to keep in mind that in observations only stars and molecular and atomic gas are counted, while the contribution of the ionized gas is almost universally missed. The ionized gas is, however, expected to be present in the gaseous disks of dwarf galaxies simply because they are exposed to the cosmic ionizing background and to the stellar radiation that manages to escape from the central regions of the galactic disks into their outer layers. Such an expectation is, indeed, born out both by cosmological numerical simulations and by simple analytical models. C1 [Gnedin, Nickolay Y.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Gnedin, Nickolay Y.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Gnedin, Nickolay Y.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Gnedin, Nickolay Y.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Gnedin, NY (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. EM gnedin@fnal.gov FU DOE at Fermilab; NSF [AST-0908063]; NASA [NNX-09AJ54G]; Fermilab; Kavli Institute for Cosmological Physics; University of Chicago FX I am grateful to Andrey Kravtsov for enlightening discussions and constructive criticism. Throughout the stormy refereeing process, different referees offered constructive and not-so-constructive criticisms. I am grateful to all of them, as the final manuscript ended up being a major improvement over the original draft. This work was supported in part by the DOE at Fermilab, by the NSF grant AST-0908063, and by the NASA grant NNX-09AJ54G. The simulations used in this work have been performed on the Joint Fermilab-KICP Supercomputing Cluster, supported by grants from Fermilab, Kavli Institute for Cosmological Physics, and the University of Chicago. This work made extensive use of the NASA Astrophysics Data System and arXiv.org preprint server. NR 38 TC 15 Z9 15 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2012 VL 754 IS 2 AR 113 DI 10.1088/0004-637X/754/2/113 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 977MO UT WOS:000306666700034 ER PT J AU Marley, MS Saumon, D Cushing, M Ackerman, AS Fortney, JJ Freedman, R AF Marley, Mark S. Saumon, Didier Cushing, Michael Ackerman, Andrew S. Fortney, Jonathan J. Freedman, Richard TI MASSES, RADII, AND CLOUD PROPERTIES OF THE HR 8799 PLANETS SO ASTROPHYSICAL JOURNAL LA English DT Article DE brown dwarfs; planetary systems; stars: atmospheres; stars: individual (HR 8799); stars: low-mass ID DWARF GLIESE 229B; EXTRASOLAR GIANT PLANETS; STAR ADAPTIVE OPTICS; COOL BROWN DWARF; T-DWARFS; L/T TRANSITION; MU-M; SPACE-TELESCOPE; ATMOSPHERIC PROPERTIES; CHEMICAL-EQUILIBRIUM AB The near-infrared colors of the planets directly imaged around the A star HR 8799 are much redder than most field brown dwarfs of the same effective temperature. Previous theoretical studies of these objects have concluded that the atmospheres of planets b, c, and d are unusually cloudy or have unusual cloud properties. Some studies have also found that the inferred radii of some or all of the planets disagree with expectations of standard giant planet evolution models. Here, we compare the available data to the predictions of our own set of atmospheric and evolution models that have been extensively tested against observations of field L and T dwarfs, including the reddest L dwarfs. Unlike some previous studies, we require mutually consistent choices for effective temperature, gravity, cloud properties, and planetary radius. This procedure thus yields plausible values for the masses, effective temperatures, and cloud properties of all three planets. We find that the cloud properties of the HR 8799 planets are not unusual but rather follow previously recognized trends, including a gravity dependence on the temperature of the L to T spectral transition-some reasons for which we discuss. We find that the inferred mass of planet b is highly sensitive to whether or not we include the H- and the K-band spectrum in our analysis. Solutions for planets c and d are consistent with the generally accepted constraints on the age of the primary star and orbital dynamics. We also confirm that, like in L and T dwarfs and solar system giant planets, non-equilibrium chemistry driven by atmospheric mixing is also important for these objects. Given the preponderance of data suggesting that the L to T spectral type transition is gravity dependent, we present an exploratory evolution calculation that accounts for this effect. Finally we recompute the bolometric luminosity of all three planets. C1 [Marley, Mark S.; Freedman, Richard] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Saumon, Didier] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Cushing, Michael] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. [Ackerman, Andrew S.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Fortney, Jonathan J.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Freedman, Richard] SETI Inst, Moffett Field, CA 94035 USA. RP Marley, MS (reprint author), NASA, Ames Res Ctr, MS-245-3, Moffett Field, CA 94035 USA. EM Mark.S.Marley@NASA.gov; dsaumon@lanl.gov; michael.cushing@utoledo.edu; andrew.ackerman@nasa.gov; jfortney@ucolick.org; freedman@darkstar.arc.nasa.gov RI Ackerman, Andrew/D-4433-2012; Marley, Mark/I-4704-2013; OI Ackerman, Andrew/0000-0003-0254-6253; Fortney, Jonathan/0000-0002-9843-4354; Marley, Mark/0000-0002-5251-2943 FU National Aeronautics and Space Administration; NASA Postdoctoral Program at the Jet Propulsion Laboratory; W. M. Keck Foundation; Spitzer Space telescope Theoretical Research Program FX We thank Travis Barman and Bruce Macintosh for helpful conversations and Travis Barman for a particularly helpful review. This material is based upon work supported by the National Aeronautics and Space Administration through the Planetary Atmospheres and Astrophysics Theory Programs as well as the Spitzer Space telescope Theoretical Research Program. This research was supported in part by an appointment to the NASA Postdoctoral Program at the Jet Propulsion Laboratory, administered by Oak Ridge Associated Universities through a contract with NASA. This work is based in part on data collected at Subaru Telescope, which is operated by the National Astronomical Observatory of Japan. Observations used here were obtained at the MMT Observatory, a joint facility of the University of Arizona and the Smithsonian Institution. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation. NR 113 TC 91 Z9 91 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2012 VL 754 IS 2 AR 135 DI 10.1088/0004-637X/754/2/135 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 977MO UT WOS:000306666700056 ER PT J AU Mei, S Stanford, SA Holden, BP Raichoor, A Postman, M Nakata, F Finoguenov, A Ford, HC Illingworth, GD Kodama, T Rosati, P Tanaka, M Huertas-Company, M Rettura, A Shankar, F Carrasco, ER Demarco, R Eisenhardt, P Jee, MJ Koyama, Y White, RL AF Mei, Simona Stanford, S. Adam Holden, Brad P. Raichoor, Anand Postman, Marc Nakata, Fumiaki Finoguenov, Alexis Ford, Holland C. Illingworth, Garth D. Kodama, Tadayuki Rosati, Piero Tanaka, Masayuki Huertas-Company, Marc Rettura, Alessandro Shankar, Francesco Carrasco, Eleazar R. Demarco, Ricardo Eisenhardt, Peter Jee, Myungkook J. Koyama, Yusei White, Richard L. TI EARLY-TYPE GALAXIES AT z=1.3. I. THE LYNX SUPERCLUSTER: CLUSTER AND GROUPS AT z=1.3. MORPHOLOGY AND COLOR-MAGNITUDE RELATION SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: clusters: general; galaxies: clusters: individual (the Lynx cluster); galaxies: evolution; galaxies: high-redshift; galaxies: stellar content; galaxies: structure ID HUBBLE-SPACE-TELESCOPE; HIGH-REDSHIFT GALAXIES; DIGITAL SKY SURVEY; SUPPORT VECTOR MACHINES; PHOTON IMAGING CAMERA; SEEING LIMITED IMAGES; WIDE-FIELD SURVEY; LESS-THAN 2; ELLIPTIC GALAXIES; XMM-NEWTON AB We confirm the detection of three groups in the Lynx supercluster, at z approximate to 1.3 through spectroscopic follow-up and X-ray imaging, and we give estimates for their redshifts and masses. We study the properties of the group galaxies compared to the two central clusters, RX J0849+4452 and RX J0848+4453. Using spectroscopic follow-up and multi-wavelength photometric redshifts, we select 89 galaxies in the clusters, of which 41 are spectroscopically confirmed, and 74 galaxies in the groups, of which 25 are spectroscopically confirmed. We morphologically classify galaxies by visual inspection, noting that our early-type galaxy (ETG) sample would have been contaminated at the 30%-40% level by simple automated classification methods (e.g., based on Sersic index). In luminosity-selected samples, both clusters and groups show high fractions of bulge-dominated galaxies with a diffuse component that we visually identified as a disk and which we classified as bulge-dominated spirals, e.g., Sas. The ETG fractions never rise above approximate to 50% in the clusters, which is low compared to the fractions observed in other massive clusters at z approximate to 1. In the groups, ETG fractions never exceed approximate to 25%>. However, overall bulge-dominated galaxy fractions (ETG plus Sas) are similar to those observed for ETGs in clusters at z similar to 1. Bulge-dominated galaxies visually classified as spirals might also be ETGs with tidal features or merger remnants. They are mainly red and passive, and span a large range in luminosity. Their star formation seems to have been quenched before experiencing a morphological transformation. Because their fractions is smaller at lower redshifts, they might be the spiral population that evolves into ETGs. For mass-selected samples of galaxies with masses M > 10(10.6) M-circle dot within Sigma > 500 Mpc(-2,) the ETG and overall bulge-dominated galaxy fractions show no significant evolution with respect to local clusters, suggesting that morphological transformations might occur at lower masses and densities. The ETG mass-size relation shows evolution toward smaller sizes at higher redshift in both cluster and groups, while the late-type mass-size relation matches that observed locally. When compared to the clusters, the group ETG red sequence shows lower zero points (at similar to 2 sigma) and large scatters, both expected to be an indication of a younger galaxy population. However, we show that any allowed difference between the age in groups and clusters would be small when compared to the difference in age in galaxies of different masses. C1 [Mei, Simona; Raichoor, Anand; Huertas-Company, Marc] Observ Paris, Sect Meudon, GEPI, F-92190 Meudon, France. [Mei, Simona; Huertas-Company, Marc] Univ Paris Denis Diderot, Dept Phys, F-75205 Paris 13, France. [Mei, Simona] CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Stanford, S. Adam; Rettura, Alessandro; Jee, Myungkook J.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Stanford, S. Adam] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. [Holden, Brad P.; Illingworth, Garth D.] Univ Calif Santa Cruz, UCO Lick Observ, Santa Cruz, CA 95065 USA. [Raichoor, Anand] INAF Osservatorio Astron Brera, I-20121 Milan, Italy. [Postman, Marc; White, Richard L.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Nakata, Fumiaki; Kodama, Tadayuki] Natl Astron Observ Japan, Subaru Telescope, Hilo, HI 96720 USA. [Finoguenov, Alexis] Max Planck Inst Extraterr Phys, D-85478 Garching, Germany. [Ford, Holland C.; Rettura, Alessandro] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Kodama, Tadayuki] Natl Astron Observ Japan, Mitaka, Tokyo 1818588, Japan. [Rosati, Piero] European S Observ, D-85748 Garching, Germany. [Tanaka, Masayuki; Koyama, Yusei] Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778583, Japan. [Rettura, Alessandro] Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA. [Shankar, Francesco] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Carrasco, Eleazar R.] So Operat Ctr, Gemini Observ, La Serena, Chile. [Demarco, Ricardo] Univ Concepcion, Dept Astron, Concepcion, Chile. [Eisenhardt, Peter] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Mei, S (reprint author), Observ Paris, Sect Meudon, GEPI, 5 Pl J Janssen, F-92190 Meudon, France. OI Postman, Marc/0000-0002-9365-7989; Carrasco, Eleazar Rodrigo/0000-0002-7272-9234 FU NASA HST grant [GO-10574.01-A]; Spitzer program [20694]; W.M. Keck Foundation; BASAL Center for Astrophysics and Associated Technologies (CATA); FONDECYT Grant [1100540] FX ACS was developed under NASA contract NAS 5-32865. This research has been supported by the NASA HST grant GO-10574.01-A and Spitzer program 20694. The Space Telescope Science Institute is operated by AURA Inc., under NASA contract NAS5-26555. Some of the data presented herein were obtained at the W.M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W.M. Keck Foundation. The authors recognize and acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community. We are most fortunate to have the opportunity to conduct observations from this mountain. Some data were based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the Science and Technology Facilities Council (United Kingdom), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministerio da Ciencia e Tecnologia (Brazil), Ministerio de Ciencia, Tecnologia e Innovacion Productiva (Argentina), and Gemini Science Program ID: GN-2006A-Q-78. R.D. gratefully acknowledges the support provided by the BASAL Center for Astrophysics and Associated Technologies (CATA) and by FONDECYT Grant No. 1100540. We thank the anonymous referee for the very constructive suggestions and Shannon Patel for useful discussions. NR 109 TC 27 Z9 27 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2012 VL 754 IS 2 AR 141 DI 10.1088/0004-637X/754/2/141 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 977MO UT WOS:000306666700062 ER PT J AU Landrot, G Tappero, R Webb, SM Sparks, DL AF Landrot, Gautier Tappero, Ryan Webb, Samuel M. Sparks, Donald L. TI Arsenic and chromium speciation in an urban contaminated soil SO CHEMOSPHERE LA English DT Article DE Chromium; Arsenic; Contamination; Soil; Speciation; XAFS ID OXIDE-WATER INTERFACE; CHROMATE REDUCTION; ALUMINUM-OXIDE; REDOX REACTION; MINE TAILINGS; IRON; ADSORPTION; KINETICS; COPPER; SITES AB The distribution and speciation of As and Cr in a contaminated soil were studied by synchrotron-based X-ray microfluorescence (mu-XRF), microfocused X-ray absorption spectroscopy (mu-XAS), and bulk extended X-ray absorption fine structure spectroscopy (EXAFS). The soil was taken from a park in Wilmington, DE, which had been an important center for the leather tanning industry along the Atlantic seaboard of the United States, until the early 20th century. Soil concentrations of As, Cr, and Pb measured at certain locations in the park greatly exceeded the background levels of these heavy metals in the State of Delaware. Results show that Cr(III) and As(V) species are mainly present in the soil, with insignificant amounts of Cr(VI) and As(III). Micro-XRF maps show that Cr and Fe are distributed together in regions where their concentrations are diffuse, and at local spots where their concentrations are high. Iron oxides, which can reduce Cr(VI) to Cr(III), are present at some of these hot spots where Cr and Fe are highly concentrated. Arsenic is mainly associated with Al in the soil, and to a minor extent with Fe. Arsenate may be sorbed to aluminum oxides, which might have transformed after a long period of time into an As-Al precipitate phase, having a structure and chemical composition similar to mansfieldite (AlAsO4 center dot 2H(2)O). The latter hypothesis is supported by the fact that only a small amount of As present in the soil was desorbed using the characteristic toxicity leaching procedure tests. This suggests that As is immobilized in the soil. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Landrot, Gautier; Sparks, Donald L.] Univ Delaware, Newark, DE 19716 USA. [Tappero, Ryan] Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. [Webb, Samuel M.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Light Source, Menlo Pk, CA 94025 USA. RP Landrot, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM gjlandrot@lbl.gov; rtappero@bnl.gov; samwebb@slac.stanford.edu; dlsparks@udel.edu RI Webb, Samuel/D-4778-2009 OI Webb, Samuel/0000-0003-1188-0464 FU US Department of Energy (DOE) - Geosciences [DE-FG02-92ER14244]; DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; DOE Office of Biological and Environmental Research; National Institutes of Health, National Center for Research Resources, Biomedical Technology Program [P41RR001209] FX Portions of this work were performed at Beam line X27A, National Synchrotron Light Source (NSLS), Brookhaven National Laboratory (BNL). Beam line X27A is supported by the US Department of Energy (DOE) - Geosciences (DE-FG02-92ER14244 to The University of Chicago - CARS). Use of the NSLS was supported by DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. This research was also carried out at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the US Department of Energy Office of Science by Stanford University. The SSRL Structural Molecular Biology Program is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program (P41RR001209). The authors would like to thank Brian McCandless (Institute of Energy Conversion, U. of Delaware) for assistance in XRD data collection; Tiffany Thomas, Jennifer Seiter, Matthew Siebecker, and Gerald Hendricks for assistance in sample collection and geochemical analyses. NR 32 TC 14 Z9 16 U1 8 U2 163 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD AUG PY 2012 VL 88 IS 10 BP 1196 EP 1201 DI 10.1016/j.chemosphere.2012.03.069 PG 6 WC Environmental Sciences SC Environmental Sciences & Ecology GA 983UI UT WOS:000307143800008 PM 22520924 ER PT J AU Bagriantsev, SN Clark, KA Minor, DL AF Bagriantsev, Sviatoslav N. Clark, Kimberly A. Minor, Daniel L., Jr. TI Metabolic and thermal stimuli control K(2P)2.1 (TREK-1) through modular sensory and gating domains SO EMBO JOURNAL LA English DT Article DE C-type gate; K-2P channel; leak current; potassium channel; temperature gating ID RECTIFYING K+ CHANNELS; C-TYPE INACTIVATION; POTASSIUM-CHANNEL; CRYSTAL-STRUCTURE; ION-CHANNEL; SELECTIVITY FILTER; STRUCTURAL BASIS; INDUCED INHIBITION; HEAT ACTIVATION; CA2+ CHANNELS AB K(2P)2.1 (TREK-1) is a polymodal two-pore domain leak potassium channel that responds to external pH, GPCR-mediated phosphorylation signals, and temperature through the action of distinct sensors within the channel. How the various intracellular and extracellular sensory elements control channel function remains unresolved. Here, we show that the K(2P)2.1 (TREK-1) intracellular C-terminal tail (Ct), a major sensory element of the channel, perceives metabolic and thermal commands and relays them to the extracellular C-type gate through transmembrane helix M4 and pore helix 1. By decoupling Ct from the pore-forming core, we further demonstrate that Ct is the primary heat-sensing element of the channel, whereas, in contrast, the pore domain lacks robust temperature sensitivity. Together, our findings outline a mechanism for signal transduction within K(2P)2.1 (TREK-1) in which there is a clear crosstalk between the C-type gate and intracellular Ct domain. In addition, our findings support the general notion of the existence of modular temperature-sensing domains in temperature-sensitive ion channels. This marked distinction between gating and sensory elements suggests a general design principle that may underlie the function of a variety of temperature-sensitive channels. The EMBO Journal (2012) 31, 3297-3308. doi:10.1038/emboj.2012.171; Published online 22 June 2012 C1 [Minor, Daniel L., Jr.] Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94158 USA. [Bagriantsev, Sviatoslav N.; Clark, Kimberly A.; Minor, Daniel L., Jr.] Univ Calif San Francisco, Cardiovasc Res Inst, San Francisco, CA 94158 USA. [Minor, Daniel L., Jr.] Univ Calif San Francisco, Calif Inst Quantitat Biomed Res, San Francisco, CA 94158 USA. [Minor, Daniel L., Jr.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Minor, DL (reprint author), Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94158 USA. EM daniel.minor@ucsf.edu OI Bagriantsev, Sviatoslav/0000-0002-6661-3403 FU NIH [R01-MH093603]; American Heart Association [0740019N]; Life Sciences Research Foundation FX This work was supported by grants to DLM from NIH R01-MH093603 and the American Heart Association 0740019N, and to SNB from the Life Sciences Research Foundation. We thank E Gracheva, D Julius, and G Thiel for comments on the manuscript. DLM is an AHA Established Investigator. SNB is a Genentech Fellow of the Life Sciences Research Foundation. NR 69 TC 33 Z9 34 U1 0 U2 10 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0261-4189 J9 EMBO J JI Embo J. PD AUG 1 PY 2012 VL 31 IS 15 BP 3297 EP 3308 DI 10.1038/emboj.2012.171 PG 12 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 983JW UT WOS:000307116600008 PM 22728824 ER PT J AU Chen, W Nikiforov, MP Darling, SB AF Chen, Wei Nikiforov, Maxim P. Darling, Seth B. TI Morphology characterization in organic and hybrid solar cells SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Review ID ATOMIC-FORCE MICROSCOPY; KELVIN PROBE FORCE; X-RAY-DIFFRACTION; BEAM-INDUCED CURRENT; NANOSCALE ELECTRICAL CHARACTERIZATION; BULK HETEROJUNCTION FILMS; POLYMER-FULLERENE BLENDS; ANODE INTERFACIAL LAYER; THIN-FILMS; PHOTOVOLTAIC DEVICES AB Organic and hybrid organic-inorganic photovoltaics are among the most promising options for low-cost and highly scalable renewable energy. In order to fully realize the potential of these technologies, power conversion efficiencies and stability will both have to be improved beyond the current state-of-the-art. The morphology of the active layer is of paramount importance in the photon to electron conversion process in organic and hybrid solar cells, with all length scales, from molecular ordering to intradevice composition variability, playing key roles. Given the central influence of morphology, characterizing the structure of these surprisingly complex material systems at multiple length scales is one of the grand challenges in the field. This review addresses the techniques, some of which have only recently been applied to organic and hybrid photovoltaics, available to scientists and engineers working to understand-and ultimately improve-the operation of these fascinating devices. C1 [Chen, Wei; Nikiforov, Maxim P.; 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 Chen, W (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM darling@anl.gov RI Nikiforov, Maxim/C-1965-2012; Chen, Wei/G-6055-2011 OI Chen, Wei/0000-0001-8906-4278 FU Argonne Director's Postdoctoral Fellowships; Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX W. Chen and M. P. Nikiforov gratefully acknowledge financial support from Argonne Director's Postdoctoral Fellowships. This work was performed at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. NR 269 TC 240 Z9 240 U1 13 U2 311 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 AUG PY 2012 VL 5 IS 8 BP 8045 EP 8074 DI 10.1039/c2ee22056c PG 30 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 976HM UT WOS:000306571800001 ER PT J AU Cao, R Lai, WZ Du, PW AF Cao, Rui Lai, Wenzhen Du, Pingwu TI Catalytic water oxidation at single metal sites SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID OXYGEN-EVOLVING COMPLEX; MONONUCLEAR RUTHENIUM COMPLEXES; O-O BOND; PHOTOSYSTEM-II; CRYSTAL-STRUCTURE; IRIDIUM COMPLEXES; MN4CA CLUSTER; PHOTOELECTROCHEMICAL CELLS; ARTIFICIAL PHOTOSYNTHESIS; ELECTRONIC-STRUCTURE AB Nature utilizes solar energy to extract electrons and release protons from water, a process called photosynthetic water oxidation or oxygen evolution. This sunlight-driven reaction is vital to the planet because it directly produces dioxygen and couples with photosystem I to generate the reducing equivalents for the reduction of carbon dioxide to carbohydrates (also known as CO2 fixation). Inspired by this natural process, people are intensely interested in water splitting using sunlight to convert and store solar energy into chemical energy, which is believed to be able to ultimately solve the energy problem that we are facing. Water splitting can be separated into two half reactions, namely water oxidation and water reduction, and they can be studied individually. Catalysts are very helpful in both reactions. Recent progress in finding new highly efficient water oxidation catalysts (WOCs) has shed light on this complicated four-electron/four-proton reaction and made it possible to catalyze water oxidation using mononuclear metal complexes. This article focuses on molecular catalysts that are able to perform catalytic water oxidation at single metal sites. Different series of catalysts (or precatalysts) made of ruthenium, iridium and earth abundant elements (iron, cobalt, and manganese) that can be applied in chemical, electrochemical and photochemical (light-driven) water oxidation are summarized, and their catalytic mechanisms are discussed in detail. Finally, the future outlook and perspective to design and develop catalysts that are efficient, cheap and stable are presented. C1 [Cao, Rui; Lai, Wenzhen] Renmin Univ China, Dept Chem, Beijing, Peoples R China. [Du, Pingwu] Argonne Natl Lab, Argonne, IL 60439 USA. [Du, Pingwu] Univ Sci & Technol China, Hefei, Peoples R China. RP Cao, R (reprint author), Renmin Univ China, Dept Chem, Beijing, Peoples R China. EM ruicao@ruc.edu.cn RI ruc, chem/E-4160-2012; Du, Pingwu/G-3329-2010 OI Du, Pingwu/0000-0002-2715-0979 FU "Thousand Talents Program" in China; National Science Foundation of China [21101170] FX We are grateful to the support from the "Thousand Talents Program" in China and the National Science Foundation of China under grant no. 21101170. NR 141 TC 111 Z9 112 U1 7 U2 187 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 AUG PY 2012 VL 5 IS 8 BP 8134 EP 8157 DI 10.1039/c2ee21494f PG 24 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 976HM UT WOS:000306571800005 ER PT J AU Teplin, CW Lee, BG Fanning, TR Wang, J Grover, S Hasoon, F Bauer, R Bornstein, J Schroeter, P Branz, HM AF Teplin, Charles W. Lee, Benjamin G. Fanning, Thomas R. Wang, Jim Grover, Sachit Hasoon, Falah Bauer, Russell Bornstein, Jon Schroeter, Paul Branz, Howard M. TI Pyramidal light trapping and hydrogen passivation for high-efficiency heteroepitaxial (100) crystal silicon solar cells SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID POLYCRYSTALLINE-SILICON; FILMS; PHOTOVOLTAICS; GLASS AB We report growth and characterization of heteroepitaxial silicon solar cells on sapphire to demonstrate the promise of heteroepitaxial crystal silicon (c-Si) film photovoltaics on inexpensive substrates coated with chemically inert crystalline buffer layers such as Al2O3. Our work isolates and addresses critical material and light-trapping issues that must be solved to develop film c-Si solar cells. Microscopy reveals high dislocation densities and other crystalline defects in the silicon layers, and these defects limit the unhydrogenated devices with a 1.5 mu m absorber layer to below 1% sunlight-to-electricity conversion efficiency. By exposing an identical device to atomic H from a remote plasma, we demonstrate a 5.2% efficient device with dramatically improved quantum efficiency (QE) and open circuit voltage, as the minority carrier diffusion length increases from similar to 1 mu m to similar to 4.5 mu m. When we incorporate both hydrogen passivation and top surface pyramidal light trapping we further improve the QE and achieve 6.8% efficiency. C1 [Teplin, Charles W.; Lee, Benjamin G.; Grover, Sachit; Hasoon, Falah; Bauer, Russell; Branz, Howard M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Fanning, Thomas R.; Wang, Jim; Bornstein, Jon; Schroeter, Paul] Ampulse Corp, Golden, CO 80401 USA. RP Teplin, CW (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Charles.Teplin@NREL.gov RI Grover, Sachit/M-1881-2013 NR 27 TC 17 Z9 17 U1 3 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2012 VL 5 IS 8 BP 8193 EP 8198 DI 10.1039/c2ee21936k PG 6 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 976HM UT WOS:000306571800010 ER PT J AU Wettstein, SG Alonso, DM Chong, YX Dumesic, JA AF Wettstein, Stephanie G. Alonso, David Martin Chong, Yuxuan Dumesic, James A. TI Production of levulinic acid and gamma-valerolactone (GVL) from cellulose using GVL as a solvent in biphasic systems SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID CATALYTIC CONVERSION; TRANSPORTATION FUELS; CORN STOVER; BIOMASS; LIQUID; HYDROLYSIS; PLATFORM; BIOFUELS AB Cellulose deconstruction at 428 K was studied in biphasic reaction systems consisting of GVL and aqueous solutions containing HCl (0.1-1.25 M) and a solute, such as salt or sugar. This biphasic system achieves high yields of levulinic and formic acids (e. g., 70%), and leads to complete solubilization of cellulose. The GVL solvent extracts the majority of the levulinic acid (e. g., greater than 75%), which can subsequently be converted to GVL over a carbon-supported Ru-Sn catalyst. This approach for cellulose conversion eliminates the need to separate the final product from the solvent, because the GVL product is the solvent. In addition, this approach eliminates the deposition of solid humin species in the cellulose deconstruction reactor, allowing these species to be collected and used for other processing options. C1 [Wettstein, Stephanie G.; Alonso, David Martin; Chong, Yuxuan; Dumesic, James A.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Wettstein, Stephanie G.; Dumesic, James A.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. RP Wettstein, SG (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, 1415 Engn Dr, Madison, WI 53706 USA. EM dumesic@engr.wisc.edu RI Wettstein, Stephanie/D-2286-2012 FU DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; Defense Advanced Research Projects Agency FX This work was funded in part by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). In addition, this work was supported through funding from the Defense Advanced Research Projects Agency (Surf-cat: Catalysts for Production of JP-8 range molecules from Lignocellulosic Biomass). The views, opinions, and/or findings contained in this article are those of the author and should not be interpreted as representing the official views or policies, either expressed or implied, of the Defense Advanced Research Projects Agency or the Department of Defense. NR 29 TC 125 Z9 126 U1 11 U2 200 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2012 VL 5 IS 8 BP 8199 EP 8203 DI 10.1039/c2ee22111j PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 976HM UT WOS:000306571800011 ER PT J AU Zhang, L Zhang, ZC Redfern, PC Curtiss, LA Amine, K AF Zhang, Lu Zhang, Zhengcheng Redfern, Paul C. Curtiss, Larry A. Amine, Khalil TI Molecular engineering towards safer lithium-ion batteries: a highly stable and compatible redox shuttle for overcharge protection SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID CELLS; STABILITY AB Overcharge abuse is one of the most common and dangerous safety issues with state-of-the-art lithium-ion batteries. Thus, incorporation of overcharge prevention into the lithium-ion battery pack is key to its practical application. Redox shuttle molecules that can be reversibly oxidized and reduced at specific potentials (redox potential) provide an effective and economic method to prevent overcharge abuse for lithium-ion batteries. We have developed a novel oligo(ethylene glycol)-functionalized redox shuttle, 2,5-di-tert-butyl-1,4-bis(2-methoxyethoxy)benzene (DBBB), that is not only capable of providing efficient and long-lasting overcharge protection to lithium-ion batteries (capable of withstanding over 180 cycles of 100% overcharge at the C/2 rate), but is also compatible with the state-of-the-art lithium-ion cell system. Density functional theory calculations provided an understanding of the stability properties of this new redox shuttle. C1 [Zhang, Lu; Zhang, Zhengcheng; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Redfern, Paul C.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Zhang, L (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM luzhang@anl.gov; zzhang@anl.gov; redfern@anl.gov; curtiss@anl.gov; amine@anl.gov RI Amine, Khalil/K-9344-2013 FU U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office; U.S. Department of Energy by UChicago Argonne, LLC [DE-AC02-06CH11357] FX This research is supported by U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. NR 25 TC 43 Z9 43 U1 3 U2 69 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2012 VL 5 IS 8 BP 8204 EP 8207 DI 10.1039/c2ee21977h PG 4 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 976HM UT WOS:000306571800012 ER PT J AU Wang, GM Ling, YC Lu, XH Wang, HY Qian, F Tong, YX Li, Y AF Wang, Gongming Ling, Yichuan Lu, Xihong Wang, Hanyu Qian, Fang Tong, Yexiang Li, Yat TI Solar driven hydrogen releasing from urea and human urine SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID QUANTUM-DOT SENSITIZATION; TIO2 NANOWIRE ARRAYS; GENERATION; STORAGE; NANOSTRUCTURES; CELLS; CDS AB Urea has been considered as a potential hydrogen source, while the conventional methods to extract hydrogen from urea are typically energy intensive processes. Here we report the first demonstration of solar driven hydrogen releasing from urea and human urine in a photoelectrochemical cell, with the assistance of Ni(OH)(2) modified metal oxide photoelectrodes (e. g., TiO2 and alpha-Fe2O3). Ni(OH)(2) serves as a urea oxidation catalyst. Under light illumination, photoexcited holes generated at the metal oxide electrode oxidize urea, while photoexcited electrons reduce water to produce hydrogen gas at the Pt counter electrode. Urea oxidation was achieved under a small external bias or even at zero bias. Significantly, we observed continuous and stable hydrogen evolution at the Pt electrode in both urea and human urine electrolyte solutions under AM 1.5G (100 mW cm(-2)) light illumination. This work presents a safe, low energy cost, environmentally friendly and sustainable method to produce hydrogen, and simultaneously treat urine. C1 [Wang, Gongming; Ling, Yichuan; Lu, Xihong; Wang, Hanyu; Li, Yat] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. [Lu, Xihong; Tong, Yexiang] Sun Yat Sen Univ, KLGHEI Environm & Energy Chem, MOE Key Lab Bioinorgan & Synthet Chem, Sch Chem & Chem Engn, Guangzhou 510275, Guangdong, Peoples R China. [Qian, Fang] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Wang, GM (reprint author), Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. EM yli@chemistry.ucsc.edu RI Wang, Gongming/C-4555-2012; Zong, Xu/B-7149-2013; Lu, Xihong/L-5171-2015; Ling, Yichuan/I-9567-2016; OI Lu, Xihong/0000-0002-6764-0024; Li, Yat/0000-0002-8058-2084 FU United States NSF [CBET-1034222]; Natural Science Foundations of China [90923008, J1103305]; Natural Science Foundations of Guangdong Province [9251027501000002]; Academic New Artist Ministry of Education Doctoral Post Graduate (China); China Scholarship Council; LDRD [11-LW-054]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DEAC52-07NA27344] FX YL acknowledges the financial support by United States NSF (CBET-1034222). YXT acknowledges the financial support by the Natural Science Foundations of China (90923008 and J1103305) and the Natural Science Foundations of Guangdong Province (9251027501000002). XHL thanks the Academic New Artist Ministry of Education Doctoral Post Graduate (China) and China Scholarship Council for financial support. FQ acknowledges the support from LDRD Project 11-LW-054, performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DEAC52-07NA27344. NR 32 TC 33 Z9 33 U1 8 U2 77 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2012 VL 5 IS 8 BP 8215 EP 8219 DI 10.1039/c2ee22087c PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 976HM UT WOS:000306571800014 ER PT J AU Revyakin, A Zhang, ZJ Coleman, RA Li, Y Inouye, C Lucas, JK Park, SR Chu, S Tjian, R AF Revyakin, Andrey Zhang, Zhengjian Coleman, Robert A. Li, Yan Inouye, Carla Lucas, Julian K. Park, Sang-Ryul Chu, Steven Tjian, Robert TI Transcription initiation by human RNA polymerase II visualized at single-molecule resolution SO GENES & DEVELOPMENT LA English DT Article DE single-molecule fluorescence; Pol II transcription; preinitiation complex; reinitiation; unstructured probes; surface passivation ID ACCURATE TRANSCRIPTION; FUNCTIONAL-ANALYSIS; TFIID COMPLEX; IN-VITRO; PROMOTER; FLUORESCENCE; ACTIVATION; SP1; DNA; REINITIATION AB Forty years of classical biochemical analysis have identified the molecular players involved in initiation of transcription by eukaryotic RNA polymerase II (Pol II) and largely assigned their functions. However, a dynamic picture of Pol II transcription initiation and an understanding of the mechanisms of its regulation have remained elusive due in part to inherent limitations of conventional ensemble biochemistry. Here we have begun to dissect promoter-specific transcription initiation directed by a reconstituted human Pol II system at single-molecule resolution using fluorescence video-microscopy. We detected several stochastic rounds of human Pol II transcription from individual DNA templates, observed attenuation of transcription by promoter mutations, observed enhancement of transcription by activator Sp1, and correlated the transcription signals with real-time interactions of holo-TFIID molecules at individual DNA templates. This integrated single-molecule methodology should be applicable to studying other complex biological processes. C1 [Revyakin, Andrey; Zhang, Zhengjian; Li, Yan; Tjian, Robert] Howard Hughes Med Inst, Ashburn, VA 20147 USA. [Coleman, Robert A.] Albert Einstein Coll Med, Bronx, NY 10461 USA. [Inouye, Carla; Lucas, Julian K.; Park, Sang-Ryul; Tjian, Robert] Univ Calif Berkeley, Dept Mol & Cell Biol, Li Ka Shing Ctr, Berkeley, CA 94720 USA. [Chu, Steven] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Tjian, R (reprint author), Howard Hughes Med Inst, Janelia Farm Res Campus, Ashburn, VA 20147 USA. EM jmlim@berkeley.edu FU NIH [1P01CA112181-01A1] FX We specially thank William Dynan for help with editing of the manuscript. We thank Yick Fong and Alexey Petrov for comments on the manuscript, Dimitri Chklovskii for suggestions on colocalization analysis, Gleb Shtengel for advice on optics, Bo Huang and Xiaowei Zhuang for spot-finding Insight software, Jonas Korlach and Yu-Chih Tsai (Pacific Biosciences) for discussion and the kind gift of the oxygen-scavenging enzyme, and Crystal Sullivan, Patrice Neville, and Sarah Moorehead for administrative support. A. R. was a Special Fellow of the Leukemia and Lymphoma Society (July 2008-June 2010). Z.Z. was a Fellow of the Leukemia and Lymphoma Society (July 2007-June 2009). This work was supported by NIH grant 1P01CA112181-01A1 to S.C. and R.T. NR 59 TC 35 Z9 35 U1 3 U2 17 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 J9 GENE DEV JI Genes Dev. PD AUG 1 PY 2012 VL 26 IS 15 BP 1691 EP 1702 DI 10.1101/gad.194936.112 PG 12 WC Cell Biology; Developmental Biology; Genetics & Heredity SC Cell Biology; Developmental Biology; Genetics & Heredity GA 984AO UT WOS:000307160000007 PM 22810624 ER PT J AU DasGupta, S Sun, M Armstrong, A Kaplar, RJ Marinella, MJ Stanley, JB Atcitty, S Palacios, T AF DasGupta, Sandeepan Sun, Min Armstrong, Andrew Kaplar, Robert J. Marinella, Matthew J. Stanley, James B. Atcitty, Stan Palacios, Tomas TI Slow Detrapping Transients due to Gate and Drain Bias Stress in High Breakdown Voltage AlGaN/GaN HEMTs SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE Galium nitride (GaN); high electron mobility transistor (HEMT); monochromatic light; slow transients ID GAN DHFETS; HFETS; ILLUMINATION; CONVERTER; IMPACT; STATES; DC; SI AB Charge trapping and slow (from 10 s to > 1000 s) detrapping in AlGaN/GaN high electron mobility transistors (HEMTs) designed for high breakdown voltages (> 1500 V) is studied through a combination of electrical, thermal, and optical methods to identify the impact of Al molefraction and passivation on trapping. Trapping due to 5-10 V drain bias stress in the ON-state (V-gs = 0) is found to have significantly slower recovery, compared with trapping in the OFF-state (V-gs < V-th, V-ds = 0). Two different trapping components, i.e., TG1 (E-a = 0.6 eV) and TG2 (with negligible temperature dependence), in AlGaN dominate under gate bias stress in the OFF-state. Al0.15Ga0.85N shows much more vulnerability to trapping under gate stress in the absence of passivation than does AlGaN with a higher Al mole fraction. Under large drain bias, trapping is dominated by a much deeper trap TD. Detrapping under monochromatic light shows TD to have E-a approximate to 1.65 eV. Carbon doping in the buffer is shown to introduce threshold voltage shifts, unlike any of the other traps. C1 [DasGupta, Sandeepan; Armstrong, Andrew; Kaplar, Robert J.; Marinella, Matthew J.; Stanley, James B.; Atcitty, Stan] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Sun, Min; Palacios, Tomas] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. RP DasGupta, S (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sdasgup@sandia.gov; minsun@mit.edu; tpalacios@mit.edu FU GaN Initiative for Grid Applications (GIGA) program; U.S. Department of Energy's National Nuclear Security administration [DEAC04-94AL85000] FX Manuscript received March 7, 2012; accepted April 30, 2012. Date of publication May 30, 2012; date of current version July 19, 2012. This work was supported in part by the GaN Initiative for Grid Applications (GIGA) program managed by Dr. M. Soboroff of the U.S. Department of Energy, Office of Electricity Delivery and Energy Reliability, and in part by Sandia National Laboratories under Contract DEAC04-94AL85000. Sandia is a multiprogram laboratory operated by Sandia Corp., which is a Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security administration. The review of this paper was arranged by Editor A. Haque. NR 27 TC 22 Z9 22 U1 1 U2 49 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9383 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD AUG PY 2012 VL 59 IS 8 BP 2115 EP 2122 DI 10.1109/TED.2012.2198652 PG 8 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 980UT UT WOS:000306920200017 ER PT J AU Choong, WS Holland, SE AF Choong, Woon-Seng Holland, Stephen E. TI Back-Side Readout Silicon Photomultiplier SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE Avalanche breakdown; avalanche photodiodes; photodetectors; silicon devices; silicon radiation detectors ID DETECTORS; RESISTORS; SIPMS AB We present a novel structure for the back-side readout silicon photomultiplier (SiPM). Current SiPMs are front-illuminated structures with front-side readout, which have relatively small geometric fill factor leading to degradation in their photon detection efficiency (PDE). Back-side readout devices will provide an advantageous solution to achieve high PDE. We designed and investigated a novel structure that would allow backside readout while creating a region of high electric field optimized for avalanche breakdown. In addition, this structure has relatively high fill factor and also allows the direct coupling of the individual microcell of the SiPM to application-specific integrated circuits. We will discuss the performance that can be attained with this structure through device simulation and the process flow that can be used to fabricate this structure through process simulation. C1 [Choong, Woon-Seng; Holland, Stephen E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Choong, WS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM wschoong@lbl.gov; seholland@lbl.gov RI Holland, Stephen/H-7890-2013 FU Office of Science, Office of Biological and Environmental Research, Medical Science Division, U.S. Department of Energy [DE-AC02-05CH11231]; National Institutes of Health, National Institute of Biomedical Imaging and Bioengineering [R21EB012599] FX This work was supported in part by the Director, Office of Science, Office of Biological and Environmental Research, Medical Science Division, U.S. Department of Energy, under Contract DE-AC02-05CH11231 and in part by the National Institutes of Health, National Institute of Biomedical Imaging and Bioengineering, under Grant R21EB012599. The review of this paper was arranged by Editor J. R. Tower. NR 19 TC 2 Z9 2 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9383 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD AUG PY 2012 VL 59 IS 8 BP 2187 EP 2191 DI 10.1109/TED.2012.2200684 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 980UT UT WOS:000306920200028 PM 23564969 ER PT J AU Jain, A Helm, ML Linehan, JC DuBois, DL Shaw, WJ AF Jain, Avijita Helm, Monte L. Linehan, John C. DuBois, Daniel L. Shaw, Wendy J. TI Biologically inspired phosphino platinum complexes SO INORGANIC CHEMISTRY COMMUNICATIONS LA English DT Article DE Amino acid complexes; Bioinspired complexes; Bioinorganic ligands ID AMINO-ACIDS; BINUCLEAR COMPLEXES; METAL-COMPLEXES; X-RAY; LIGANDS; PALLADIUM; HYDROGENASES; PHOSPHORUS; CATALYSIS; PEPTIDES AB Platinum complexes containing phosphino amino acid and amino acid ester ligands, built upon the (PN2R')-N-Ph platform, have been synthesized and characterized ((PN2R')-N-Ph = [1,3-diaza]-5-phenyl phosphacyclohexane). R' = Gly (glycine) or Gly-ester (glycine ethyl ester). These complexes were characterized by P-31, C-13, H-1, Pt-195 NMR spectroscopy, and mass spectrometry. The X-ray crystal structure of one of the complexes, [PtCl2((PN2Gly-easter)-N-Ph)(2)], is reported, confirming cis-square planar geometry about the platinum. These complexes provide a foundation upon which larger peptides can be attached, to allow the introduction of enzyme-like features onto small molecular catalysts. (C) 2012 Elsevier B.V. All rights reserved. C1 [Jain, Avijita; Linehan, John C.; DuBois, Daniel L.; Shaw, Wendy J.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99354 USA. [Helm, Monte L.] Ft Lewis Coll, Dept Chem, Durango, CO USA. RP Shaw, WJ (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99354 USA. EM wendy.shaw@pnnl.gov FU US Department of Energy Basic Energy Sciences, Chemical Sciences, Geosciences & Biosciences Division, Pacific Northwest National Laboratory FX This work was supported by the US Department of Energy Basic Energy Sciences, Chemical Sciences, Geosciences & Biosciences Division, Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. NR 30 TC 3 Z9 3 U1 0 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-7003 J9 INORG CHEM COMMUN JI Inorg. Chem. Commun. PD AUG PY 2012 VL 22 BP 65 EP 67 DI 10.1016/j.inoche.2012.04.039 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 983QM UT WOS:000307133800016 ER PT J AU Cunningham, BT Zangar, RC AF Cunningham, Brian T. Zangar, Richard C. TI Photonic crystal enhanced fluorescence for early breast cancer biomarker detection SO JOURNAL OF BIOPHOTONICS LA English DT Article DE photonic crystal; fluorescence enhancement; biomarkers; nanostructured surface ID ANTIBODY MICROARRAYS; SURFACE CHEMISTRIES; PROTEIN MICROARRAYS; MOLECULAR SUBTYPES; METAL PARTICLES; ELISA; DECAY; MAMMOGRAPHY; EMISSION; ARRAY AB Photonic crystal surfaces offer a compelling platform for improving the sensitivity of surface-based fluorescent assays used in disease diagnostics. Through the complementary processes of photonic crystal enhanced excitation and enhanced extraction, a periodic dielectric-based nanostructured surface can simultaneously increase the electric field intensity experienced by surface-bound fluorophores and increase the collection efficiency of emitted fluorescent photons. Through the ability to inexpensively fabricate photonic crystal surfaces over substantial surface areas, they are amenable to single-use applications in biological sensing, such as disease biomarker detection in serum. In this review, we will describe the motivation for implementing high-sensitivity, multiplexed biomarker detection in the context of breast cancer diagnosis. We will summarize recent efforts to improve the detection limits of such assays though the use of photonic crystal surfaces. Reduction of detection limits is driven by low autofluorescent substrates for photonic crystal fabrication, and detection instruments that take advantage of their unique features. ((c) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) C1 [Cunningham, Brian T.] Univ Illinois, Dept Elect & Comp Engn, Dept Bioengn, Urbana, IL 61801 USA. [Zangar, Richard C.] Pacific NW Natl Lab, Richmond, WA USA. RP Cunningham, BT (reprint author), Univ Illinois, Dept Elect & Comp Engn, Dept Bioengn, 1406 W Green St, Urbana, IL 61801 USA. EM bcunning@illinois.edu FU NIH [GM086382A]; NSF [CBET 07-54122] FX The authors gratefully acknowledge funding from NIH (GM086382A), and NSF (CBET 07-54122). Any opinions, findings, conclusions, or recommendations expressed in this material are those of the authors and to not necessarily reflect the views of the National Institutes of Health or the National Science Foundation. The authors also acknowledge the collaboration of Dr. Nabil Amro and Dr. Mike Nelson from NanoInk for preparation the the DPN antibody array. BTC is grateful for the many contributions of his graduate students and post-docs whose work is represented in this review. In particular, BTC thanks Dr. C.-S. Huang, Dr. Meng Lu, Dr. P. C. Mathias, Dr. N. Ganesh, S. George, V. Chaudhery, and A. Pokhriyal. NR 71 TC 16 Z9 16 U1 3 U2 48 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1864-063X J9 J BIOPHOTONICS JI J. Biophotonics PD AUG PY 2012 VL 5 IS 8-9 SI SI BP 617 EP 628 DI 10.1002/jbio.201200037 PG 12 WC Biochemical Research Methods; Biophysics; Optics SC Biochemistry & Molecular Biology; Biophysics; Optics GA 982BL UT WOS:000307016600007 PM 22736539 ER PT J AU Kay, JE Hillman, BR Klein, SA Zhang, Y Medeiros, B Pincus, R Gettelman, A Eaton, B Boyle, J Marchand, R Ackerman, TP AF Kay, J. E. Hillman, B. R. Klein, S. A. Zhang, Y. Medeiros, B. Pincus, R. Gettelman, A. Eaton, B. Boyle, J. Marchand, R. Ackerman, T. P. TI Exposing Global Cloud Biases in the Community Atmosphere Model (CAM) Using Satellite Observations and Their Corresponding Instrument Simulators SO JOURNAL OF CLIMATE LA English DT Article ID GENERAL-CIRCULATION MODELS; CLIMATE MODEL; RADIATION BUDGET; ISCCP DATA; CONVECTION; ECMWF; PARAMETERIZATION; IMPACT; NCAR; SENSITIVITY AB Satellite observations and their corresponding instrument simulators are used to document global cloud biases in the Community Atmosphere Model (CAM) versions 4 and 5. The model observation comparisons show that, despite having nearly identical cloud radiative forcing, CAMS has a much more realistic representation of cloud properties than CAM4. In particular, CAM5 exhibits substantial improvement in three long-standing climate model cloud biases: 1) the underestimation of total cloud, 2) the overestimation of optically thick cloud, and 3) the underestimation of midlevel cloud. While the increased total cloud and decreased optically thick cloud in CAM5 result from improved physical process representation, the increased midlevel cloud in CAM5 results from the addition of radiatively active snow. Despite these improvements, both CAM versions have cloud deficiencies. Of particular concern, both models exhibit large but differing biases in the subtropical marine boundary layer cloud regimes that are known to explain intermodel differences in cloud feedbacks and climate sensitivity. More generally, this study demonstrates that simulator-facilitated evaluation of cloud properties, such as amount by vertical level and optical depth, can robustly expose large and at times radiatively compensating climate model cloud biases. C1 [Kay, J. E.; Medeiros, B.; Gettelman, A.; Eaton, B.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA. [Hillman, B. R.; Marchand, R.; Ackerman, T. P.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. [Hillman, B. R.; Ackerman, T. P.] Univ Washington, Joint Inst Study Atmosphere & Ocean, Seattle, WA 98195 USA. [Klein, S. A.; Zhang, Y.; Boyle, J.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA. [Pincus, R.] NOAA, Earth Syst Res Lab, Div Phys Sci, Boulder, CO USA. [Pincus, R.] Univ Colorado, Boulder, CO 80309 USA. RP Kay, JE (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, POB 3000, Boulder, CO 80307 USA. EM jenkay@ucar.edu RI Kay, Jennifer/C-6042-2012; Medeiros, Brian/A-3695-2009; Pincus, Robert/B-1723-2013; Zhang, Yuying/H-5011-2012; Klein, Stephen/H-4337-2016 OI Medeiros, Brian/0000-0003-2188-4784; Pincus, Robert/0000-0002-0016-3470; Klein, Stephen/0000-0002-5476-858X FU U.S. NSF through NCAR; NASA [NNX09AJ05G, NNX11AF09G]; JPL; NASA MISR Science Team [NMO710860]; Office of Science the U.S. Department of Energy; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Office of Science (BER), U.S. Department of Energy [DE-FC02- 97ER62402] FX JEK, AG, and BE were supported by the U.S. NSF through NCAR. JEK was also partially supported by NASA Grant NNX09AJ05G. BRH and TPA were supported by JPL and the NASA MISR Science Team under Contract NMO710860. SAK, YZ, and JB were supported by Regional and Global Climate and Earth System Modeling Programs of the Office of Science at the U.S. Department of Energy and their contributions to this work were performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. BM was supported by the Office of Science (BER), U.S. Department of Energy, Cooperative Agreement DE-FC02- 97ER62402. RP was supported by NASA under Grant NNX11AF09G. We all thank the scientists and software engineers who developed CESM1. Computing resources were provided by NCAR's Computational and Information Systems Laboratory (CISL). NR 64 TC 98 Z9 98 U1 3 U2 47 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 AUG 1 PY 2012 VL 25 IS 15 BP 5190 EP 5207 DI 10.1175/JCLI-D-11-00469.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 983AT UT WOS:000307089300003 ER PT J AU May, PT Long, CN Protat, A AF May, Peter T. Long, Charles N. Protat, Alain TI The Diurnal Cycle of the Boundary Layer, Convection, Clouds, and Surface Radiation in a Coastal Monsoon Environment (Darwin, Australia) SO JOURNAL OF CLIMATE LA English DT Article ID NORTHERN AUSTRALIA; SUMMER MONSOON; RADAR; RAINFALL; PRECIPITATION; VARIABILITY; TROPICS; SYSTEMS; ISLAND; MCTEX AB The diurnal variation of convection and associated cloud and radiative properties remains a significant issue in global NWP and climate models. This study analyzes observed diurnal variability of convection in a coastal monsoonal environment examining the interaction of convective rain clouds, their associated cloud properties, and the impact on the surface radiation and corresponding boundary layer structure during periods where convection is suppressed or active on the large scale. The analysis uses data from the Tropical Warm Pool International Cloud Experiment (TWP-ICE) as well as routine measurements from the Australian Bureau of Meteorology and the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) program. Both active monsoonal and large-scale suppressed (buildup and break) conditions are examined and demonstrate that the diurnal variation of rainfall is much larger during the break periods and the spatial distribution of rainfall is very different between the monsoon and break regimes. During the active monsoon the total net radiative input to the surface is decreased by more than 3 times the amount than during the break regime this total radiative cloud forcing is found to be dominated by the shortwave (SW) cloud effects because of the much larger optical thicknesses and persistence of long-lasting anvils and cirrus cloud decks associated with the monsoon regime. These differences in monsoon versus break surface radiative energy contribute to low-level air temperature differences in the boundary layer over the land surfaces. C1 [May, Peter T.; Protat, Alain] Ctr Australian Weather & Climate Res, Melbourne, Vic 3001, Australia. [Long, Charles N.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP May, PT (reprint author), Ctr Australian Weather & Climate Res, GPO Box 1289, Melbourne, Vic 3001, Australia. EM p.may@bom.gov.au FU U.S. Department of Energy ARM FX This work has been supported by the U.S. Department of Energy ARM Program. The support of and many thoughtful conversations with Jim Mather are gratefully acknowledged. We would like to acknowledge the contributions of Brad Atkinson and Michael Whimpey in supporting the sites and data management. The thoughtful comments of Sally MacFarlane and Vaughan Barras have greatly contributed to the paper. The Centre for Australian Weather and Climate Research is a partnership between the Bureau of Meteorology and CSIRO. NR 40 TC 18 Z9 18 U1 0 U2 15 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 J9 J CLIMATE JI J. Clim. PD AUG 1 PY 2012 VL 25 IS 15 BP 5309 EP 5326 DI 10.1175/JCLI-D-11-00538.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 983AT UT WOS:000307089300010 ER PT J AU Mao, JF Thornton, PE Shi, XY Zhao, MS Post, WM AF Mao, Jiafu Thornton, Peter E. Shi, Xiaoying Zhao, Maosheng Post, Wilfred M. TI Remote Sensing Evaluation of CLM4 GPP for the Period 2000-09 SO JOURNAL OF CLIMATE LA English DT Article ID NET PRIMARY PRODUCTION; CARBON-CYCLE FEEDBACKS; DROUGHT-INDUCED REDUCTION; GROSS PRIMARY PRODUCTION; LAND-SURFACE ALBEDO; TERRESTRIAL CARBON; CLIMATE MODEL; UNITED-STATES; MODIS DATA; PRODUCTIVITY AB Remote sensing can provide long-term and large-scale products helpful for ecosystem model evaluation. The authors compare monthly gross primary production (G PP) simulated by the Community Land Model, version 4 (CLM4) at a half-degree resolution with satellite estimates of GPP from the Moderate Resolution Imaging Spectroradiometer (MODIS) GPP product (MOD17) for the 10-yr period January 2000 December 2009. The assessment is presented in terms of long-term mean carbon assimilation, seasonal mean distributions, amplitude and phase of the annual cycle, and intraannual and interannual GPP variability and their responses to climate variables. For the long-term annual and seasonal means, major GPP patterns are clearly demonstrated by both products. Compared to the MODIS product, CLM4 overestimates the magnitude of GPP for tropical evergreen forests. CLM4 has a longer carbon uptake period than MODIS for most plant functional types (PFTs) with an earlier onset of GPP in spring and a later decline of GPP in autumn. Empirical orthogonal function analysis of the monthly G PP changes indicates that, on the intraannual scale, both CLM4 and MODIS display similar spatial representations and temporal patterns for most terrestrial ecosystems except in northeast Russia and in the very dry region of central Australia. For 2000-09, CLM4 simulated increases in annual averaged GPP over both hemispheres; however, estimates from MODIS suggest a reduction in the Southern Hemisphere (-0.2173 PgC yr(-1)), balancing the significant increase over the Northern Hemisphere (0.2157 PgC yr(-1)). The evaluations highlight strengths and weaknesses of the CLM4 primary production and illuminate potential improvements and developments. C1 [Mao, Jiafu; Thornton, Peter E.; Shi, Xiaoying; Post, Wilfred M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Zhao, Maosheng] Univ Montana, Dept Ecosyst & Conservat Sci, Numer Terradynam Simulat Grp, Missoula, MT 59812 USA. RP Mao, JF (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008,MS6301, Oak Ridge, TN 37831 USA. EM maoj@ornl.gov RI Zhao, Maosheng/G-5706-2010; Thornton, Peter/B-9145-2012; Mao, Jiafu/B-9689-2012 OI Thornton, Peter/0000-0002-4759-5158; Mao, Jiafu/0000-0002-2050-7373 FU U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research; DOE [DE-AC05-00OR22725] FX This research is supported in part by the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research. Oak Ridge National Laboratory is managed by UT-BATTELLE for the DOE under Contract DE-AC05-00OR22725. Special thanks are given to Dr. Sam Levis at NCAR for his help with CLM4 simulations and to Terry Copeland Pfeiffer at ORNL for her text editing. NR 47 TC 37 Z9 38 U1 3 U2 45 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 AUG 1 PY 2012 VL 25 IS 15 BP 5327 EP 5342 DI 10.1175/JCLI-D-11-00401.1 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 983AT UT WOS:000307089300011 ER PT J AU Ullah, G Mak, DOD Pearson, JE AF Ullah, Ghanim Mak, Don-On Daniel Pearson, John E. TI A data-driven model of a modal gated ion channel: The inositol 1,4,5-trisphosphate receptor in insect Sf9 cells SO JOURNAL OF GENERAL PHYSIOLOGY LA English DT Article ID AGGREGATED MARKOV-PROCESSES; CA2+ RELEASE CHANNELS; TRISPHOSPHATE RECEPTOR; KINETIC-MODEL; IP3 RECEPTORS; GATING KINETICS; SINGLE; CALCIUM; BINDING; LIGAND AB The inositol 1,4,5-trisphosphate (IP3) receptor (IP3R) channel is crucial for the generation and modulation of intracellular Ca2+ signals in animal cells. To gain insight into the complicated ligand regulation of this ubiquitous channel, we constructed a simple quantitative continuous-time Markov-chain model from the data. Our model accounts for most experimentally observed gating behaviors of single native IP3R channels from insect Sf9 cells. Ligand (Ca2+ and IP3) dependencies of channel activity established six main ligand-bound channel complexes, where a complex consists of one or more states with the same ligand stoichiometry and open or closed conformation. Channel gating in three distinct modes added one complex and indicated that three complexes gate in multiple modes. This also restricted the connectivity between channel complexes. Finally, latencies of channel responses to abrupt ligand concentration changes defined a model with specific network topology between 9 closed and 3 open states. The model with 28 parameters can closely reproduce the equilibrium gating statistics for all three gating modes over a broad range of ligand concentrations. It also captures the major features of channel response latency distributions. The model can generate falsifiable predictions of IP3R channel gating behaviors and provide insights to both guide future experiment development and improve IP3R channel gating analysis. Maximum likelihood estimates of the model parameters and of the parameters in the De Young-Keizer model yield strong statistical evidence in favor of our model. Our method is simple and easily applicable to the dynamics of other ion channels and molecules. C1 [Ullah, Ghanim; Pearson, John E.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Mak, Don-On Daniel] Univ Penn, Dept Physiol, Philadelphia, PA 19104 USA. RP Pearson, JE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM pearson@lanl.gov FU National Institutes of Health [5RO1GM065830-08] FX This work was supported by National Institutes of Health (grant 5RO1GM065830-08). NR 30 TC 21 Z9 22 U1 1 U2 3 PU ROCKEFELLER UNIV PRESS PI NEW YORK PA 1114 FIRST AVE, 4TH FL, NEW YORK, NY 10021 USA SN 0022-1295 J9 J GEN PHYSIOL JI J. Gen. Physiol. PD AUG PY 2012 VL 140 IS 2 BP 159 EP 173 DI 10.1085/jgp.201110753 PG 15 WC Physiology SC Physiology GA 981ZH UT WOS:000307011000006 PM 22851676 ER PT J AU Gary, SP Liu, KJ Chen, LJ AF Gary, S. Peter Liu, Kaijun Chen, Lunjin TI Alfven-cyclotron instability with singly ionized helium: Linear theory SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID WAVE-PARTICLE INTERACTIONS; OMEGA-HE; PLASMA; IONS; MAGNETOSPHERE; SIMULATIONS; GENERATION; GEOS-1 AB The Alfven-cyclotron anisotropy instability is driven by a sufficiently large proton temperature anisotropy T-perpendicular to/T-parallel to > 1 where perpendicular to and parallel to denote directions perpendicular and parallel, respectively, to the background magnetic field B-o. Here kinetic linear theory for a magnetized, homogeneous, collisionless plasma is used to study this instability at propagation parallel to B-o in the presence of a relatively tenuous, relatively cool, isotropic, singly ionized helium component. A sufficiently dense helium component splits the Alfven-cyclotron instability into two branches: a proton cyclotron branch at frequencies above the helium cyclotron frequency but below the proton cyclotron frequency, and a helium-ion cyclotron branch at frequencies less than the helium ion cyclotron frequency. If the helium ions are much cooler than the protons and are sufficiently dense, the helium-ion cyclotron branch can become unstable at wavelengths considerably shorter than the unstable waves of the proton cyclotron branch, favoring excitation of enhanced fluctuations which resonate with geomagnetically trapped electrons of energies between 500 keV and 2 MeV. C1 [Gary, S. Peter; Liu, Kaijun] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Chen, Lunjin] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA. RP Gary, SP (reprint author), Los Alamos Natl Lab, Mail Stop D466, Los Alamos, NM 87545 USA. EM pgary@spacescience.org RI Dong, Li/F-4931-2010; Chen, Lunjin/L-1250-2013 OI Chen, Lunjin/0000-0003-2489-3571 FU U.S. Department of Energy (DOE); Defense Threat Reduction Agency [IAA 10-027-1299-Basic]; National Aeronautics and Space Administration [NRA NNH10ZDA001N] FX The Los Alamos portion of this work was performed under the auspices of the U.S. Department of Energy (DOE). It was supported in part by the Defense Threat Reduction Agency under project IAA 10-027-1299-Basic, and in part by the Living with a Star Program of the National Aeronautics and Space Administration, NRA NNH10ZDA001N. NR 24 TC 12 Z9 12 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD AUG 1 PY 2012 VL 117 AR A08201 DI 10.1029/2012JA017740 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 984HR UT WOS:000307181200003 ER PT J AU LeDell, E Prabhat Zubarev, DY Austin, B Lester, WA AF LeDell, Erin Prabhat Zubarev, Dmitry Yu. Austin, Brian Lester, William A., Jr. TI Classification of nodal pockets in many-electron wave functions via machine learning SO JOURNAL OF MATHEMATICAL CHEMISTRY LA English DT Article DE Binary classification; Machine learning; Many-body methods; Quantum chemistry; Fixed-node diffusion Monte Carlo; Electronic structure theory ID QUANTUM MONTE-CARLO AB Accurate treatment of electron correlation in quantum chemistry requires solving the many-electron problem. If the nodal surface of amany-electron wave function is available even in an approximate form, the fixed-node diffusion Monte Carlo (FNDMC) approach from the family of quantum Monte Carlo methods can be successfully used for this purpose. The issue of description and classification of nodal surfaces of fermionic wave functions becomes central for understanding the basic properties of many-electron wave functions and for the control of accuracy and computational efficiency of FNDMC computations. In this work, we approach the problem of automatic classification of nodal pockets of many-electron wave functions. We formulate this problem as that of binary classification and apply a number of techniques from the machine learning literature. We apply these techniques on a range of atoms of light elements and demonstrate varying degrees of success. We observe that classifiers with relatively simple geometry perform poorly on the classification task; methods based on a random collection of tree-based classifiers appear to perform best. We conclude with thoughts on computational challenges and complexity associated with applying these techniques to heavier atoms. C1 [Zubarev, Dmitry Yu.; Lester, William A., Jr.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [LeDell, Erin] Univ Calif Berkeley, Div Biostat, Berkeley, CA 94720 USA. [Prabhat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Austin, Brian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. RP Lester, WA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM walester@lbl.gov FU Office of Laboratory Policy and Infrastructure Management of the U.S. Department of Energy [AC02-05CH11231]; National Science Foundation [NSF CHE-0809969]; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division of the U.S. Department of Energy [DE-AC03-76F00098]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX This work is supported by the Director, Office of Laboratory Policy and Infrastructure Management of the U.S. Department of Energy under Contract No. AC02-05CH11231. D.Y.Z. was supported by the National Science Foundation under Grant NSF CHE-0809969. W.A.L. was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division of the U.S. Department of Energy, under Contract No. DE-AC03-76F00098. This research used computational resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 19 TC 1 Z9 1 U1 1 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0259-9791 J9 J MATH CHEM JI J. Math. Chem. PD AUG PY 2012 VL 50 IS 7 BP 2043 EP 2050 DI 10.1007/s10910-012-0019-5 PG 8 WC Chemistry, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Chemistry; Mathematics GA 985LD UT WOS:000307266900019 ER PT J AU Hrma, P Han, SS AF Hrma, Pavel Han, Sang-Soo TI Effect of glass composition on activation energy of viscosity in glass-melting-temperature range SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE Glass viscosity; Nuclear waste glass; Viscosity-composition relationship; Activation energy; Mixture models ID MODEL AB In the high-temperature range, where the viscosity (eta) of molten glass is < 10(3) Pa s, the activation energy (B) is virtually independent of temperature (T). Moreover, the coefficient A in the Arrhenius relationship, In(eta) =A + B/T, is nearly independent of melt composition. Hence, the viscosity-composition relationship for eta< 10(3) Pa s is defined by B as a function of composition. Using a database encompassing over 1300 compositions of high-level waste glasses with nearly 7000 viscosity data, we developed mathematical models for B(x), where x is the composition vector in terms of mass fractions of components. In this paper, we present 13 versions of B(x) as first- and second-order polynomials with coefficients for 15 to 39 components. including Others, a component that sums constituents having little effect on viscosity. (C) 2012 Elsevier B.V. All rights reserved. C1 [Hrma, Pavel] Pacific NW Natl Lab, Richland, WA 99352 USA. [Hrma, Pavel; Han, Sang-Soo] Pohang Univ Sci & Technol, Div Adv Nucl Engn, Pohang, South Korea. RP Hrma, P (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM pavelhrma@postech.ac.kr FU WCU (World Class University) through National Research Foundation of Korea; Ministry of Education, Science and Technology [R31-30005]; U.S. Department of Energy's Hanford Tank Waste Treatment; Immobilization Plant Federal Project Office, Engineering Division FX This study was supported by a WCU (World Class University) program through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology (R31-30005). Financial support was also provided by the U.S. Department of Energy's Hanford Tank Waste Treatment and Immobilization Plant Federal Project Office, Engineering Division. NR 12 TC 7 Z9 7 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD AUG 1 PY 2012 VL 358 IS 15 BP 1818 EP 1829 DI 10.1016/j.jnoncrysol.2012.05.030 PG 12 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 982FS UT WOS:000307028900016 ER PT J AU Unocic, KA Essuman, E Dryepondt, S Pint, BA AF Unocic, K. A. Essuman, E. Dryepondt, S. Pint, B. A. TI Effect of environment on the scale formed on oxide dispersion strengthened FeCrAl at 1050 degrees C and 1100 degrees C SO MATERIALS AT HIGH TEMPERATURES LA English DT Article DE oxide dispersion strengthened alloys; FeCrAl; oxidation; alumina; dry air; water vapour; CO2-H2O ID ALLOY KANTHAL AF; 900 DEGREES-C; WATER-VAPOR; HIGH-TEMPERATURE; ALUMINA SCALES; OXIDATION BEHAVIOR; ODS ALLOYS; GROWTH; SEGREGATION; MECHANISMS AB The surface scale formed on specimens of a commercial oxide dispersion strengthened (ODS) FeCrAl alloy (PM2000 (TM)) exposed for 1 and 500 h at 1050 degrees C in dry O-2, Air+10% H2O and Ar+10% H2O consisted of a two-layer alpha-Al2O3 structure with a columnar grain inner layer and a finer grain outer layer. The alumina scales formed in Air+10% H2O and Ar+10% H2O were slightly more than half of the thickness of the scale formed in dry O-2. The same two-layer structure was also observed after exposure for 500 h at 1100 degrees C in dry O-2 and 50% CO2+50% H2O. The alumina scales formed in both atmospheres were similar in thickness. Oxides rich in Y and Ti at the gas-scale interface grew in size and number with time in each case. Using analytical transmission electron microscopy, alumina grain boundary segregation of both Y and Ti was evident near the gas interface but only Y segregation was detected near the metal interface. This difference was attributed to Ti depletion in the adjacent metal and the rapid outward flux of the smaller Ti ion through the scale. C1 [Unocic, K. A.; Essuman, E.; Dryepondt, S.; Pint, B. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Unocic, KA (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 FU US Department of Energy, Office of Coal and Power R&D, Office of Fossil Energy; ShaRE User Facility FX Research was supported by the US Department of Energy, Office of Coal and Power R&D, Office of Fossil Energy and the ShaRE User Facility. R. Meisner, T. Lowe, H. Longmire, M. Howell and D. Coffey assisted with the experiments. The authors also thank D.A. Cullen and S.J. Pawel for providing useful comments and discussions. NR 29 TC 10 Z9 10 U1 2 U2 20 PU SCIENCE REVIEWS 2000 LTD PI ST ALBANS PA PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND SN 0960-3409 J9 MATER HIGH TEMP JI Mater. High Temp. PD AUG PY 2012 VL 29 IS 3 BP 171 EP 180 DI 10.3184/096034012X13317275660176 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 981OC UT WOS:000306976700003 ER PT J AU Pint, BA Unocic, KA AF Pint, Bruce A. Unocic, Kinga A. TI Ionic segregation on grain boundaries in thermally grown alumina scales SO MATERIALS AT HIGH TEMPERATURES LA English DT Article DE alumina scale; grain boundary segregation; analytical transmission; electron microscopy ID REACTIVE-ELEMENT ADDITIONS; TEMPERATURE OXIDATION RESISTANCE; OXYGEN POTENTIAL GRADIENTS; CREEP RESISTANCE; FORMING ALLOYS; FECRAL ALLOYS; SULFUR; PERFORMANCE; ADHERENCE; COATINGS AB This study first examined segregation behaviour in the alumina scale formed after 100 h at 1100 degrees C on bare and MCrAlYHfSi-coated single-crystal superalloys with similar to 10 ppma La and Y. For the bare superalloy, Hf and Ti were detected on the grain boundaries of the inner columnar alumina layer. Increasing the oxidation temperature to 1200 degrees C for 2 h did not change the segregation behaviour. With the bond coating, both Y and Hf were segregated to the grain boundaries as expected. However, there was evidence of Ti-rich oxide particles near the gas interface suggesting that Ti diffused from the superalloy through the coating. To further understand these segregation observations with multiple dopants, other alumina-forming systems were examined. Alumina scale grain boundary co-segregation of Ti with Y is common for FeCrAl alloys. Co-segregation of Hf and Ti was observed in the scale formed on co-doped NiAl. No La segregation was detected in the scale formed on NiCrAl with only a 19 ppma La addition, however, the scale was adherent. C1 [Pint, Bruce A.; Unocic, Kinga A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 FU U.S. Department of Energy, Office of Coal and Power R&D, Office of Fossil Energy; SHaRE User Facility; Scientific User Facilities Division, Office of Basic Energy Sciences FX The authors are very grateful to K. Murphy at Howmet for supplying the CMSX4 alloy and FEI group for providing access to their TEM. This research was sponsored by the U.S. Department of Energy, Office of Coal and Power R&D, Office of Fossil Energy, (R. Dennis program manager), and the SHaRE User Facility, sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences. C. Parish, M. Howell, T. Lowe, H. Longmire, D. Coffey and A. Haynes assisted with the experimental work. The HVOF coatings were deposited at Stonybrook Univ. with assistance from Prof C. Weyant. NR 47 TC 5 Z9 5 U1 1 U2 21 PU SCIENCE REVIEWS 2000 LTD PI ST ALBANS PA PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND SN 0960-3409 J9 MATER HIGH TEMP JI Mater. High Temp. PD AUG PY 2012 VL 29 IS 3 BP 257 EP 263 DI 10.3184/096034012X13343209167745 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 981OC UT WOS:000306976700015 ER PT J AU Helminiak, MA Yanar, NM Pettit, FS Taylor, TA Meier, GH AF Helminiak, M. A. Yanar, N. M. Pettit, F. S. Taylor, T. A. Meier, G. H. TI The effect of superalloy substrate on the behaviour of high-purity low-density air plasma sprayed thermal barrier coatings SO MATERIALS AT HIGH TEMPERATURES LA English DT Article DE superalloy substrate; high-purity low-density air plasma sprayed topcoats; thermal barrier coatings ID GROWN OXIDE; OXIDATION BEHAVIOR; FAILURE MECHANISMS; BOND COATS; SYSTEMS AB Several superalloy-bond coat couples were prepared without ceramic topcoat layers to better understand the effects of superalloy substrate on the oxidation behaviour of NiCoCrAlY bond coats. The same composition NiCoCrAlY bond coats were deposited on three superalloy substrates (Inconel 718, Haynes 188 and Rene N5) via argon-shrouded plasma spraying. The specimens were exposed to cyclic oxidation in laboratory air at 1100 degrees C in a bottom loading furnace. Scaling behaviour and rate of aluminum depletion were compared between the various specimens. The bond coats on all three superalloys experienced some form of chemical failure after an extended number of cycles. The number of cycles until chemical failure was shortest for the IN718 specimen followed by the HA188 specimen, both of which experienced complete bond coat chemical failure, and then the Rene N5 specimen, which experienced localized chemical failure. The cycles to chemical failure coincide with the cycles to thermal barrier coating (TBC) spallation from previous work, indicating chemical failure of the bond coat is a critical event in the lifetime of TBCs. The effect of bond coat surface finish and porosity on the scaling behaviour has been investigated using specimens with the same superalloy substrate but with different bond coat surface finishes and porosity levels which were produced by utilizing two separate sized starting bond coat metallic powders. Bond coats with minimal porosity and smooth surface finishes did not experience chemical failure, at least in the time frame they were tested; however, oxide scale spallation was more apparent in the smooth bond coats as compared to the specimens with the rough surface finishes and high levels of porosity. C1 [Helminiak, M. A.; Yanar, N. M.; Pettit, F. S.; Meier, G. H.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Helminiak, M. A.; Yanar, N. M.; Pettit, F. S.; Meier, G. H.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Taylor, T. A.] Praxair Surface Technol Inc, Indianapolis, IN 46224 USA. RP Helminiak, MA (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM mah82@pitt.edu FU National Energy Technology Laboratory under RDS [DE-AC26-04NT41817]; agency of the US Government FX This work was performed in support of the National Energy Technology Laboratory under RDS contract DE-AC26-04NT41817 - M.A. Alvin, NETL Technical Monitor. The authors aregrateful to GE Aircraft Engines (B. Nagaraj) for providing superalloy substrates.; This report was prepared as an account of work sponsored by an agency of the US Government. Neither the US Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the US Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the US Government or any agency thereof. NR 19 TC 0 Z9 0 U1 1 U2 9 PU SCIENCE REVIEWS 2000 LTD PI ST ALBANS PA PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND SN 0960-3409 J9 MATER HIGH TEMP JI Mater. High Temp. PD AUG PY 2012 VL 29 IS 3 BP 264 EP 271 DI 10.3184/096034012X13335310236212 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 981OC UT WOS:000306976700016 ER PT J AU Horne, K Ban, H Fielding, R Kennedy, R AF Horne, K. Ban, H. Fielding, R. Kennedy, R. TI Monte Carlo uncertainty estimation for an oscillating-vessel viscosity measurement SO METROLOGIA LA English DT Article AB This paper discusses the initial design and evaluation of a high temperature viscosity measurement system with the focus on the uncertainty assessment. Numerical simulation of the viscometer is used to estimate viscosity uncertainties through the Monte Carlo method. The simulation computes the system response for a particular set of inputs (viscosity, moment of inertia, spring constant and hysteretic damping), and the viscosity is calculated using two methods: the Roscoe approximate solution and a numerical-fit method. For numerical fitting, a residual function of the logarithmic decay of oscillation amplitude and oscillation period is developed to replace the residual function of angular oscillation, which is mathematically stiff. The results of this study indicate that the method using computational solution of the equations and fitting for the parameters should be used, since it almost always out-performs the Roscoe approximation in uncertainty. The hysteretic damping and spring stiffness uncertainties translate into viscosity uncertainties almost directly, whereas the moment of inertial and vessel-height uncertainties are magnified approximately two-fold. As the hysteretic damping increases, so does the magnification of its uncertainty, therefore it should be minimized in the system design. The result of this study provides a general guide for the design and application of all oscillation-vessel viscosity measurement systems. C1 [Horne, K.; Ban, H.] Utah State Univ, Logan, UT 84322 USA. [Fielding, R.; Kennedy, R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Horne, K (reprint author), Utah State Univ, 4130 Old Main Hill, Logan, UT 84322 USA. EM kyle.horne@aggiemail.usu.edu RI Ban, Heng/I-6268-2012 NR 15 TC 4 Z9 4 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0026-1394 J9 METROLOGIA JI Metrologia PD AUG PY 2012 VL 49 IS 4 BP 577 EP 582 DI 10.1088/0026-1394/49/4/577 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 979PE UT WOS:000306831400021 ER PT J AU He, C Sanders, TD Gray, MT Wong, FJ Mehta, VV Suzuki, Y AF He, C. Sanders, T. D. Gray, M. T. Wong, F. J. Mehta, V. V. Suzuki, Y. TI Metal-insulator transitions in epitaxial LaVO3 and LaTiO3 films SO PHYSICAL REVIEW B LA English DT Article ID WEAK-LOCALIZATION; SRTIO3 AB We have demonstrated that epitaxial films of LaVO3 and LaTiO3 can exhibit metallicity though their bulk counterparts are Mott insulators. When LaTiO3 films are compressively strained on SrTiO3 substrates, we observe metallicity that is attributed largely to epitaxial strain-induced electronic structure modifications and secondarily to interface electronic reconstruction at the LaTiO3/SrTiO3 interface. However, when LaVO3 films are compressively strained on SrTiO3 substrates, the observed metallicity is primarily attributed to interface effects. Signatures of weak localization are observed at low temperature in LaVO3 films in the temperature, film thickness, as well as magnetic field dependence of the magnetoresistance. C1 [He, C.; Sanders, T. D.; Gray, M. T.; Wong, F. J.; Mehta, V. V.; Suzuki, Y.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Mehta, V. V.; Suzuki, Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Suzuki, Y.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Suzuki, Y.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. RP He, C (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM chunyong.he@gmail.com OI Sanders, Ted/0000-0002-2152-4204 FU Army Research Office [MURI-W911 NF-08-1-0317] FX This work is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy (DOE) (DE-AC02-05CH11231). F.J.W. and M. T. G. were supported by the Army Research Office MURI-W911 NF-08-1-0317. NR 21 TC 18 Z9 19 U1 7 U2 112 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2012 VL 86 IS 8 AR 081401 DI 10.1103/PhysRevB.86.081401 PG 4 WC Physics, Condensed Matter SC Physics GA 981TJ UT WOS:000306993300001 ER PT J AU Malone, BD Cohen, ML AF Malone, Brad D. Cohen, Marvin L. TI Electronic structure, equation of state, and lattice dynamics of low-pressure Ge polymorphs SO PHYSICAL REVIEW B LA English DT Article ID TOTAL-ENERGY CALCULATIONS; PHASE-TRANSITION; GROUP-IV; III-V; GERMANIUM; SILICON; DIAMOND; SOLIDS; SI; PSEUDOPOTENTIALS AB With the interest of obtaining more information on the low-energy phase diagram of germanium and its degree of similarity with silicon, we have performed first-principles calculations of the electronic structure and lattice dynamics of the R8, BC8, ST12, and hexagonal diamond structures of Ge. To aid future experimental investigation, we include predictions of the Raman-active frequencies of these phases as well as present the full phonon dispersion throughout the zone. Calculated equation of states within the local density approximation reveal a small pressure region where the R8 phase is energetically favored over the other metastable BC8 and ST12 structures, although the energy differences involved are relatively small and affected by the approximations used in the choice of pseudopotential. C1 [Malone, Brad D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Malone, BD (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. FU National Science Foundation [DMR10-1006184]; Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, US Department of Energy [DE-AC02-05CH11231] FX We thank Bianca Haberl, Jodie Bradby, and Jim Williams for helpful and ongoing discussion and suggestions. This work was supported by National Science Foundation Grant No. DMR10-1006184 and by the Director, Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, US Department of Energy under Contract No. DE-AC02-05CH11231. Computational resources have been provided by DOE at Lawrence Berkeley National Laboratory's NERSC facility. NR 40 TC 12 Z9 12 U1 1 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2012 VL 86 IS 5 AR 054101 DI 10.1103/PhysRevB.86.054101 PG 7 WC Physics, Condensed Matter SC Physics GA 981ST UT WOS:000306991600001 ER PT J AU Wu, LS Janssen, Y Bennett, MC Aronson, MC AF Wu, L. S. Janssen, Y. Bennett, M. C. Aronson, M. C. TI Localized moments and the stability of antiferromagnetic order in Yb3Pt4 SO PHYSICAL REVIEW B LA English DT Article ID QUANTUM CRITICAL-POINT; HEAVY-FERMION METALS; PHASE-TRANSITIONS; CRITICALITY; YBRH2SI2; PRESSURE; ANOMALIES; ELECTRON; DIAGRAM; SURFACE AB We present here the results of electrical resistivity rho, magnetization M, ac susceptibility chi(ac)', and specific heat C-M measurements that have been carried out on single crystals of Yb3Pt4 over a wide range of fields and temperatures. The 2.4-K Neel temperature that is found in zero field collapses under field to a first-order transition T-N = 0 at B-CEP = 1.85 T. In the absence of antiferromagnetic order, the specific heat C-M(T, B), the magnetization M(T, B), and even the resistivity rho(T, B) all display B/T scaling, indicating that they are dominated by strong paramagnetic fluctuations, where the only characteristic energy scale results from the Zeeman splitting of an energetically isolated, Yb doublet ground state. This paramagnetic scattering disappears with the onset of antiferromagnetic order, revealing Fermi liquid behavior Lambda rho = AT(2) that persists up to the antiferromagnetic phase line T-N(B), but not beyond. The first-order character of T-N = 0 and the ubiquity of the paramagnetic fluctuations imply that non-Fermi-liquid behaviors are absent in Yb3Pt4. In contrast to heavy fermions such as YbRh2Si2, Yb3Pt4 represents an extremely simple regime of f-electron behavior where the Yb moments and conduction electrons are almost decoupled, and where Kondo physics plays little role. C1 [Wu, L. S.; Aronson, M. C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Janssen, Y.; Bennett, M. C.; Aronson, M. C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wu, LS (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RI Wu, Liusuo/A-5611-2016 OI Wu, Liusuo/0000-0003-0103-5267 FU National Science Foundation [DMR-0907457] FX The authors acknowledge valuable assistance from M. S. Kim and K. Park. Work at Stony Brook University is supported by the National Science Foundation under Grant No. DMR-0907457. NR 48 TC 0 Z9 0 U1 0 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2012 VL 86 IS 5 AR 054401 DI 10.1103/PhysRevB.86.054401 PG 10 WC Physics, Condensed Matter SC Physics GA 981ST UT WOS:000306991600003 ER PT J AU Zhang, X Lei, HC Petrovic, C AF Zhang, Xiao Lei, Hechang Petrovic, C. TI Superconducting state in the metastable binary bismuthide Rh3Bi14 single crystals SO PHYSICAL REVIEW B LA English DT Article ID CRITICAL FIELD; TEMPERATURE AB We report detailed magnetic, transport, and thermodynamic properties of metastable Rh3Bi14 single crystals in a superconducting and normal state. We show that Rh3Bi14 is a nearly isotropic, weakly to intermediately coupled BCS superconductor, whereas the electronic resistivity above superconducting T-c = 2.94 K is dominated by the phonon scattering in the large unit cell with pores filled by Bi atoms. Superconductivity is strongly influenced by the nature of atoms that fill the voids in the crystal structure. C1 [Zhang, Xiao; Lei, Hechang; Petrovic, C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Zhang, X (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Petrovic, Cedomir/A-8789-2009; LEI, Hechang/H-3278-2016 OI Petrovic, Cedomir/0000-0001-6063-1881; FU US DOE [DE-AC02-98CH10886] FX We thank Kefeng Wang for useful discussions and John Warren for help with SEM measurements. This work was performed at Brookhaven National Laboratory and supported by the US DOE under Contract No. DE-AC02-98CH10886. NR 28 TC 1 Z9 1 U1 2 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2012 VL 86 IS 5 AR 054502 DI 10.1103/PhysRevB.86.054502 PG 5 WC Physics, Condensed Matter SC Physics GA 981ST UT WOS:000306991600006 ER PT J AU Hsu, CL Chang, P Adachi, I Aihara, H Arinstein, K Asner, DM Aulchenko, V Aushev, T Bakich, AM Bhuyan, B Bischofberger, M Bondar, A Bonvicini, G Bozek, A Bracko, M Browder, TE Chang, MC Chao, Y Chekelian, V Chen, A Chen, P Cheon, BG Chilikin, K Cho, IS Cho, K Choi, Y Dalseno, J Dingfelder, J Dolezal, Z Drasal, Z Dutta, D Eidelman, S Epifanov, D Esen, S Farhat, H Fast, JE Gaur, V Gabyshev, N Gillard, R Goh, YM Haba, J Hara, T Hayasaka, K Hayashii, H Horii, Y Hoshi, Y Hou, WS Hsiung, YB Hyun, HJ Iijima, T Inami, K Ishikawa, A Itoh, R Iwabuchi, M Iwasaki, Y Iwashita, T Julius, T Kang, JH Kawasaki, T Kichimi, H Kiesling, C Kim, HJ Kim, HO Kim, JB Kim, JH Kim, KT Kim, YJ Ko, BR Kodys, P Korpar, S Krokovny, P Kuhr, T Kuzmin, A Kvasnicka, P Kwon, YJ Lee, SH Li, J Li, Y Libby, J Liu, Y Liu, ZQ Liventsev, D Louvot, R Miyabayashi, K Miyata, H Miyazaki, Y Mohanty, GB Moll, A Muramatsu, N Nakano, E Nakao, M Natkaniec, Z Ng, C Nishida, S Nitoh, O Ohshima, T Okuno, S Olsen, SL Pakhlova, G Park, CW Park, H Park, HK Pedlar, TK Pestotnik, R Petric, M Piilonen, LE Ritter, M Rohrken, M Ryu, S Sahoo, H Sakai, Y Sandilya, S Sanuki, T Schneider, O Schwanda, C Schwartz, AJ Senyo, K Sevior, ME Shapkin, M Shen, CP Shibata, TA Shiu, JG Shwartz, B Sibidanov, A Simon, F Singh, JB Smerkol, P Sohn, YS Solovieva, E Stanic, S Staric, M Sumihama, M Sumiyoshi, T Tatishvili, G Teramoto, Y Trabelsi, K Uchida, M Uglov, T Unno, Y Uno, S Urquijo, P Usov, Y Vahsen, SE Vanhoefer, P Varner, G Vorobyev, V Wang, P Watanabe, M Watanabe, Y Williams, KM Won, E Yamamoto, H Yamashita, Y Zhang, ZP Zhilich, V Zhulanov, V AF Hsu, C-L. Chang, P. Adachi, I. Aihara, H. Arinstein, K. Asner, D. M. Aulchenko, V. Aushev, T. Bakich, A. M. Bhuyan, B. Bischofberger, M. Bondar, A. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Chang, M-C. Chao, Y. Chekelian, V. Chen, A. Chen, P. Cheon, B. G. Chilikin, K. Cho, I-S. Cho, K. Choi, Y. Dalseno, J. Dingfelder, J. Dolezal, Z. Drasal, Z. Dutta, D. Eidelman, S. Epifanov, D. Esen, S. Farhat, H. Fast, J. E. Gaur, V. Gabyshev, N. Gillard, R. Goh, Y. M. Haba, J. Hara, T. Hayasaka, K. Hayashii, H. Horii, Y. Hoshi, Y. Hou, W-S. Hsiung, Y. B. Hyun, H. J. Iijima, T. Inami, K. Ishikawa, A. Itoh, R. Iwabuchi, M. Iwasaki, Y. Iwashita, T. Julius, T. Kang, J. H. Kawasaki, T. Kichimi, H. Kiesling, C. Kim, H. J. Kim, H. O. Kim, J. B. Kim, J. H. Kim, K. T. Kim, Y. J. Ko, B. R. Kodys, P. Korpar, S. Krokovny, P. Kuhr, T. Kuzmin, A. Kvasnicka, P. Kwon, Y-J. Lee, S-H. Li, J. Li, Y. Libby, J. Liu, Y. Liu, Z. Q. Liventsev, D. Louvot, R. Miyabayashi, K. Miyata, H. Miyazaki, Y. Mohanty, G. B. Moll, A. Muramatsu, N. Nakano, E. Nakao, M. Natkaniec, Z. Ng, C. Nishida, S. Nitoh, O. Ohshima, T. Okuno, S. Olsen, S. L. Pakhlova, G. Park, C. W. Park, H. Park, H. K. Pedlar, T. K. Pestotnik, R. Petric, M. Piilonen, L. E. Ritter, M. Roehrken, M. Ryu, S. Sahoo, H. Sakai, Y. Sandilya, S. Sanuki, T. Schneider, O. Schwanda, C. Schwartz, A. J. Senyo, K. Sevior, M. E. Shapkin, M. Shen, C. P. Shibata, T-A. Shiu, J-G. Shwartz, B. Sibidanov, A. Simon, F. Singh, J. B. Smerkol, P. Sohn, Y-S. Solovieva, E. Stanic, S. Staric, M. Sumihama, M. Sumiyoshi, T. Tatishvili, G. Teramoto, Y. Trabelsi, K. Uchida, M. Uglov, T. Unno, Y. Uno, S. Urquijo, P. Usov, Y. Vahsen, S. E. Vanhoefer, P. Varner, G. Vorobyev, V. Wang, P. Watanabe, M. Watanabe, Y. Williams, K. M. Won, E. Yamamoto, H. Yamashita, Y. Zhang, Z. P. Zhilich, V. Zhulanov, V. CA Belle Collaboration TI Search for B-0 decays to invisible final states at Belle SO PHYSICAL REVIEW D LA English DT Article AB We report a search for B-0 decays into invisible final states using a data sample of 657 x 10(6) B (B) over bar pairs collected at the Y(4S) resonance with the Belle detector at the KEKB e(+) e(-) collider. The signal is identified by fully reconstructing a hadronic decay of the accompanying B meson and requiring no other particles in the event. No significant signal is observed, and we obtain an upper limit of 1.3 x 10(-4) at the 90% confidence level for the branching fraction of invisible B-0 decay. C1 [Hsu, C-L.; Chang, P.; Chao, Y.; Chen, P.; Hou, W-S.; Hsiung, Y. B.; Shiu, J-G.] Natl Taiwan Univ, Dept Phys, Taipei, Taiwan. [Dingfelder, J.; Urquijo, P.] Univ Bonn, Bonn, Germany. [Arinstein, K.; Aulchenko, V.; Bondar, A.; Eidelman, S.; Epifanov, D.; Gabyshev, N.; Krokovny, P.; Kuzmin, A.; Shwartz, B.; Usov, Y.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Arinstein, K.; Aulchenko, V.; Bondar, A.; Eidelman, S.; Epifanov, D.; Gabyshev, N.; Krokovny, P.; Kuzmin, A.; Shwartz, B.; Usov, Y.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] Budker Inst Nucl Phys SB RAS, Novosibirsk 630090, Russia. [Dolezal, Z.; Drasal, Z.; Kodys, P.; Kvasnicka, P.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Esen, S.; Liu, Y.; Schwartz, A. J.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Chang, M-C.] Fu Jen Catholic Univ, Dept Phys, Taipei, Taiwan. [Sumihama, M.] Gifu Univ, Gifu, Japan. [Cheon, B. G.; Goh, Y. M.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea. [Browder, T. E.; Olsen, S. L.; Sahoo, H.; Vahsen, S. E.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Adachi, I.; Haba, J.; Hara, T.; Itoh, R.; Iwasaki, Y.; Kichimi, H.; Nakao, M.; Nishida, S.; Sakai, Y.; Trabelsi, K.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki, Japan. [Bhuyan, B.; Dutta, D.] Indian Inst Technol Guwahati, Gauhati, Assam, India. [Libby, J.] Indian Inst Technol, Madras 600036, Tamil Nadu, India. [Liu, Z. Q.; Wang, P.] Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China. [Schwanda, C.] Inst High Energy Phys, Vienna, Austria. [Shapkin, M.] Inst High Energy Phys, Protvino, Russia. [Aushev, T.; Chilikin, K.; Liventsev, D.; Pakhlova, G.; Solovieva, E.; Uglov, T.] Inst Theoret & Expt Phys, Moscow, Russia. [Bracko, M.; Korpar, S.; Pestotnik, R.; Petric, M.; Smerkol, P.; Staric, M.] Jozef Stefan Inst, Ljubljana, Slovenia. [Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa, Japan. [Kuhr, T.; Roehrken, M.] Karlsruher Inst Technol, Inst Expt Kernphys, Karlsruhe, Germany. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Taejon, South Korea. [Kim, J. B.; Kim, K. T.; Ko, B. R.; Lee, S-H.; Won, E.] Korea Univ, Seoul, South Korea. [Hyun, H. J.; Kim, H. J.; Kim, H. O.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Louvot, R.; Schneider, O.] Ecole Polytech Fed Lausanne, Lausanne, Switzerland. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. [Bracko, M.; Korpar, S.] Univ Maribor, SLO-2000 Maribor, Slovenia. [Chekelian, V.; Dalseno, J.; Kiesling, C.; Moll, A.; Ritter, M.; Simon, F.; Vanhoefer, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Julius, T.; Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Iijima, T.; Inami, K.; Miyazaki, Y.; Ohshima, T.; Shen, C. P.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Hayasaka, K.; Horii, Y.; Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648601, Japan. [Bischofberger, M.; Hayashii, H.; Iwashita, T.; Miyabayashi, K.] Nara Womens Univ, Nara 630, Japan. [Chen, A.] Natl Cent Univ, Chungli 32054, Taiwan. [Bozek, A.; Natkaniec, Z.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Yamashita, Y.] Nippon Dent Univ, Niigata, Japan. [Kawasaki, T.; Miyata, H.; Watanabe, M.] Niigata Univ, Niigata, Japan. [Stanic, S.] Univ Nova Gorica, Nova Gorica, Slovenia. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 558, Japan. [Asner, D. M.; Fast, J. E.; Tatishvili, G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Muramatsu, N.] Tohoku Univ, Res Ctr Electron Photon Sci, Sendai, Miyagi 980, Japan. [Zhang, Z. P.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Li, J.; Olsen, S. L.; Ryu, S.] Seoul Natl Univ, Seoul, South Korea. [Choi, Y.; Park, C. W.] Sungkyunkwan Univ, Suwon, South Korea. [Bakich, A. M.; Sibidanov, A.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Gaur, V.; Mohanty, G. B.; Sandilya, S.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Dalseno, J.; Moll, A.; Simon, F.] Tech Univ Munich, D-8046 Garching, Germany. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi, Japan. [Aihara, H.; Ng, C.] Univ Tokyo, Dept Phys, Tokyo 113, Japan. [Shibata, T-A.; Uchida, M.] Tokyo Inst Technol, Tokyo 152, Japan. [Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 158, Japan. [Nitoh, O.] Tokyo Univ Agr & Technol, Tokyo, Japan. [Li, Y.; Piilonen, L. E.; Williams, K. M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Bonvicini, G.; Farhat, H.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 990, Japan. [Cho, I-S.; Iwabuchi, M.; Kang, J. H.; Kwon, Y-J.; Sohn, Y-S.] Yonsei Univ, Seoul 120749, South Korea. RP Hsu, CL (reprint author), Natl Taiwan Univ, Dept Phys, Taipei, Taiwan. RI Aihara, Hiroaki/F-3854-2010; Ishikawa, Akimasa/G-6916-2012; Nitoh, Osamu/C-3522-2013; Uglov, Timofey/B-2406-2014; Krokovny, Pavel/G-4421-2016; Chilikin, Kirill/B-4402-2014; Pakhlova, Galina/C-5378-2014; Solovieva, Elena/B-2449-2014; OI Aihara, Hiroaki/0000-0002-1907-5964; Uglov, Timofey/0000-0002-4944-1830; Krokovny, Pavel/0000-0002-1236-4667; Chilikin, Kirill/0000-0001-7620-2053; Pakhlova, Galina/0000-0001-7518-3022; Solovieva, Elena/0000-0002-5735-4059; Trabelsi, Karim/0000-0001-6567-3036 FU MEXT (Japan); JSPS (Japan); Nagoya's TLPRC (Japan); ARC (Australia); DIISR (Australia); NSFC (China); MSMT (Czechia); DST (India); INFN (Italy); MEST, NRF, BRL program (Korea) [KRF-2011-0020333]; GSDC of KISTI (Korea); WCU (Korea); MNiSW (Poland); MES (Russia); RFAAE (Russia); ARRS (Slovenia); SNSF (Switzerland); NSC (Taiwan); MOE (Taiwan); DOE (USA); NSF (USA) FX We thank the KEKB group for excellent operation of the accelerator; the KEK cryogenics group for efficient solenoid operations; and the KEK computer group, the NII, and PNNL/EMSL for valuable computing and SINET4 network support. We acknowledge support from MEXT, JSPS, and Nagoya's TLPRC (Japan); ARC and DIISR (Australia); NSFC (China); MSMT (Czechia); DST (India); INFN (Italy); MEST, NRF, BRL program with Grant No. KRF-2011-0020333, GSDC of KISTI, and WCU (Korea); MNiSW (Poland); MES and RFAAE (Russia); ARRS (Slovenia); SNSF (Switzerland); NSC and MOE (Taiwan); and DOE and NSF (USA). NR 11 TC 3 Z9 3 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD AUG 1 PY 2012 VL 86 IS 3 AR 032002 DI 10.1103/PhysRevD.86.032002 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 981TO UT WOS:000306993800003 ER PT J AU Lees, JP Poireau, V Tisserand, V Tico, JG Grauges, E Palano, A Eigen, G Stugu, B Brown, DN Kerth, LT Kolomensky, YG Lynch, G Koch, H Schroeder, T Asgeirsson, DJ Hearty, C Mattison, TS McKenna, JA So, RY Khan, A Blinov, VE Buzykaev, AR Druzhinin, VP Golubev, VB Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Yushkov, AN Bondioli, M Kirkby, D Lankford, AJ Mandelkern, M Atmacan, H Gary, JW Liu, F Long, O Mullin, E Vitug, GM Campagnari, C Hong, TM Kovalskyi, D Richman, JD West, CA Eisner, AM Kroseberg, J Lockman, WS Martinez, AJ Schumm, BA Seiden, A Chao, DS Cheng, CH Echenard, B Flood, KT Hitlin, DG Ongmongkolkul, P Porter, FC Rakitin, AY Andreassen, R Huard, Z Meadows, BT Sokoloff, MD Sun, L Bloom, PC Ford, WT Gaz, A Nauenberg, U Smith, JG Wagner, SR Ayad, R Toki, WH Spaan, B Schubert, KR Schwierz, R Bernard, D Verderi, M Clark, PJ Playfer, S Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Fioravanti, E Garzia, I Luppi, E Munerato, M Piemontese, L Santoro, V Baldini-Ferroli, R Calcaterra, A De Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Contri, R Guido, E Lo Vetere, M Monge, MR Passaggio, S Patrignani, C Robutti, E Bhuyan, B Prasad, V Lee, CL Morii, M Edwards, AJ Adametz, A Uwer, U Lacker, HM Lueck, T Dauncey, PD Mallik, U Chen, C Cochran, J Meyer, WT Prell, S Rubin, AE Gritsan, AV Guo, ZJ Arnaud, N Davier, M Derkach, D Grosdidier, G Le Diberder, F Lutz, AM Malaescu, B Roudeau, P Schune, MH Stocchi, A Wormser, G Lange, DJ Wright, DM Chavez, CA Coleman, JP Fry, JR Gabathuler, E Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ Di Lodovico, F Sacco, R Sigamani, M Cowan, G Brown, DN Davis, CL Denig, AG Fritsch, M Gradl, W Griessinger, K Hafner, A Prencipe, E Barlow, RJ Jackson, G Lafferty, GD Behn, E Cenci, R Hamilton, B Jawahery, A Roberts, DA Dallapiccola, C Cowan, R Dujmic, D Sciolla, G Cheaib, R Lindemann, D Patel, PM Robertson, SH Biassoni, P Neri, N Palombo, F Stracka, S Cremaldi, L Godang, R Kroeger, R Sonnek, P Summers, DJ Nguyen, X Simard, M Taras, P De Nardo, G Monorchio, D Onorato, G Sciacca, C Martinelli, M Raven, G Jessop, CP LoSecco, JM Wang, WF Honscheid, K Kass, R Brau, J Frey, R Sinev, NB Strom, D Torrence, E Feltresi, E Gagliardi, N Margoni, M Morandin, M Posocco, M Rotondo, M Simi, G Simonetto, F Stroili, R Akar, S Ben-Haim, E Bomben, M Bonneaud, GR Briand, H Calderini, G Chauveau, J Hamon, O Leruste, P Marchiori, G Ocariz, J Sitt, S Biasini, M Manoni, E Pacetti, S Rossi, A Angelini, C Batignani, G Bettarini, S Carpinelli, M Casarosa, G Cervelli, A Forti, F Giorgi, MA Lusiani, A Oberhof, B Paoloni, E Perez, A Rizzo, G Walsh, JJ Pegna, DL Olsen, J Smith, AJS Telnov, AV Anulli, F Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Gioi, LL Mazzoni, MA Piredda, G Bunger, C Grunberg, O Hartmann, T Leddig, T Schroder, H Voss, C Waldi, R Adye, T Olaiya, EO Wilson, FF Emery, S de Monchenault, GH Vasseur, G Yeche, C Aston, D Bard, DJ Bartoldus, R Benitez, JF Cartaro, C Convery, MR Dorfan, J Dubois-Felsmann, GP Dunwoodie, W Ebert, M Field, RC Sevilla, MF Fulsom, BG Gabareen, AM Graham, MT Grenier, P Hast, C Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Lewis, P Lindquist, B Luitz, S Luth, V Lynch, HL MacFarlane, DB Muller, DR Neal, H Nelson, S Perl, M Pulliam, T Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Snyder, A Su, D Sullivan, MK Va'vra, J Wagner, AP Wisniewski, WJ Wittgen, M Wright, DH Wulsin, HW Young, CC Ziegler, V Park, W Purohit, MV White, RM Wilson, JR Randle-Conde, A Sekula, SJ Bellis, M Burchat, PR Miyashita, TS Puccio, EMT Alam, MS Ernst, JA Gorodeisky, R Guttman, N Peimer, DR Soffer, A Lund, P Spanier, SM Ritchie, JL Ruland, AM Schwitters, RF Wray, BC Izen, JM Lou, XC Bianchi, F Gamba, D Zambito, S Lanceri, L Vitale, L Martinez-Vidal, F Oyanguren, A Ahmed, H Albert, J Banerjee, S Bernlochner, FU Choi, HHF King, GJ Kowalewski, R Lewczuk, MJ Nugent, M Roney, JM Sobie, RJ Tasneem, N Gershon, TJ Harrison, PF Latham, TE Band, HR Dasu, S Pan, Y Prepost, R Wu, SL AF Lees, J. P. Poireau, V. Tisserand, V. Garra Tico, J. Grauges, E. Palano, A. Eigen, G. Stugu, B. Brown, D. N. Kerth, L. T. Kolomensky, Yu G. Lynch, G. Koch, H. Schroeder, T. Asgeirsson, D. J. Hearty, C. Mattison, T. S. McKenna, J. A. So, R. Y. Khan, A. Blinov, V. E. Buzykaev, A. R. Druzhinin, V. P. Golubev, V. B. Kravchenko, E. A. Onuchin, A. P. Serednyakov, S. I. Skovpen, Yu. I. Solodov, E. P. Todyshev, K. Yu. Yushkov, A. N. Bondioli, M. Kirkby, D. Lankford, A. J. Mandelkern, M. Atmacan, H. Gary, J. W. Liu, F. Long, O. Mullin, E. Vitug, G. M. Campagnari, C. Hong, T. M. Kovalskyi, D. Richman, J. D. West, C. A. Eisner, A. M. Kroseberg, J. Lockman, W. S. Martinez, A. J. Schumm, B. A. Seiden, A. Chao, D. S. Cheng, C. H. Echenard, B. Flood, K. T. Hitlin, D. G. Ongmongkolkul, P. Porter, F. C. Rakitin, A. Y. Andreassen, R. Huard, Z. Meadows, B. T. Sokoloff, M. D. Sun, L. Bloom, P. C. Ford, W. T. Gaz, A. Nauenberg, U. Smith, J. G. Wagner, S. R. Ayad, R. Toki, W. H. Spaan, B. Schubert, K. R. Schwierz, R. Bernard, D. Verderi, M. Clark, P. J. Playfer, S. Bettoni, D. Bozzi, C. Calabrese, R. Cibinetto, G. Fioravanti, E. Garzia, I. Luppi, E. Munerato, M. Piemontese, L. Santoro, V. Baldini-Ferroli, R. Calcaterra, A. De Sangro, R. Finocchiaro, G. Patteri, P. Peruzzi, I. M. Piccolo, M. Rama, M. Zallo, A. Contri, R. Guido, E. Lo Vetere, M. Monge, M. R. Passaggio, S. Patrignani, C. Robutti, E. Bhuyan, B. Prasad, V. Lee, C. L. Morii, M. Edwards, A. J. Adametz, A. Uwer, U. Lacker, H. M. Lueck, T. Dauncey, P. D. Mallik, U. Chen, C. Cochran, J. Meyer, W. T. Prell, S. Rubin, A. E. Gritsan, A. V. Guo, Z. J. Arnaud, N. Davier, M. Derkach, D. Grosdidier, G. Le Diberder, F. Lutz, A. M. Malaescu, B. Roudeau, P. Schune, M. H. Stocchi, A. Wormser, G. Lange, D. J. Wright, D. M. Chavez, C. A. Coleman, J. P. Fry, J. R. Gabathuler, E. Hutchcroft, D. E. Payne, D. J. Touramanis, C. Bevan, A. J. Di Lodovico, F. Sacco, R. Sigamani, M. Cowan, G. Brown, D. N. Davis, C. L. Denig, A. G. Fritsch, M. Gradl, W. Griessinger, K. Hafner, A. Prencipe, E. Barlow, R. J. Jackson, G. Lafferty, G. D. Behn, E. Cenci, R. Hamilton, B. Jawahery, A. Roberts, D. A. Dallapiccola, C. Cowan, R. Dujmic, D. Sciolla, G. Cheaib, R. Lindemann, D. Patel, P. M. Robertson, S. H. Biassoni, P. Neri, N. Palombo, F. Stracka, S. Cremaldi, L. Godang, R. Kroeger, R. Sonnek, P. Summers, D. J. Nguyen, X. Simard, M. Taras, P. De Nardo, G. Monorchio, D. Onorato, G. Sciacca, C. Martinelli, M. Raven, G. Jessop, C. P. LoSecco, J. M. Wang, W. F. Honscheid, K. Kass, R. Brau, J. Frey, R. Sinev, N. B. Strom, D. Torrence, E. Feltresi, E. Gagliardi, N. Margoni, M. Morandin, M. Posocco, M. Rotondo, M. Simi, G. Simonetto, F. Stroili, R. Akar, S. Ben-Haim, E. Bomben, M. Bonneaud, G. R. Briand, H. Calderini, G. Chauveau, J. Hamon, O. Leruste, Ph Marchiori, G. Ocariz, J. Sitt, S. Biasini, M. Manoni, E. Pacetti, S. Rossi, A. Angelini, C. Batignani, G. Bettarini, S. Carpinelli, M. Casarosa, G. Cervelli, A. Forti, F. Giorgi, M. A. Lusiani, A. Oberhof, B. Paoloni, E. Perez, A. Rizzo, G. Walsh, J. J. Pegna, D. Lopes Olsen, J. Smith, A. J. S. Telnov, A. V. Anulli, F. Faccini, R. Ferrarotto, F. Ferroni, F. Gaspero, M. Gioi, L. Li Mazzoni, M. A. Piredda, G. Buenger, C. Gruenberg, O. Hartmann, T. Leddig, T. Schroeder, H. Voss, C. Waldi, R. Adye, T. Olaiya, E. O. Wilson, F. F. Emery, S. de Monchenault, G. Hamel Vasseur, G. Yeche, Ch Aston, D. Bard, D. J. Bartoldus, R. Benitez, J. F. Cartaro, C. Convery, M. R. Dorfan, J. Dubois-Felsmann, G. P. Dunwoodie, W. Ebert, M. Field, R. C. Sevilla, M. Franco Fulsom, B. G. Gabareen, A. M. Graham, M. T. Grenier, P. Hast, C. Innes, W. R. Kelsey, M. H. Kim, P. Kocian, M. L. Leith, D. W. G. S. Lewis, P. Lindquist, B. Luitz, S. Luth, V. Lynch, H. L. MacFarlane, D. B. Muller, D. R. Neal, H. Nelson, S. Perl, M. Pulliam, T. Ratcliff, B. N. Roodman, A. Salnikov, A. A. Schindler, R. H. Snyder, A. Su, D. Sullivan, M. K. Va'vra, J. Wagner, A. P. Wisniewski, W. J. Wittgen, M. Wright, D. H. Wulsin, H. W. Young, C. C. Ziegler, V. Park, W. Purohit, M. V. White, R. M. Wilson, J. R. Randle-Conde, A. Sekula, S. J. Bellis, M. Burchat, P. R. Miyashita, T. S. Puccio, E. M. T. Alam, M. S. Ernst, J. A. Gorodeisky, R. Guttman, N. Peimer, D. R. Soffer, A. Lund, P. Spanier, S. M. Ritchie, J. L. Ruland, A. M. Schwitters, R. F. Wray, B. C. Izen, J. M. Lou, X. C. Bianchi, F. Gamba, D. Zambito, S. Lanceri, L. Vitale, L. Martinez-Vidal, F. Oyanguren, A. Ahmed, H. Albert, J. Banerjee, Sw Bernlochner, F. U. Choi, H. H. F. King, G. J. Kowalewski, R. Lewczuk, M. J. Nugent, M. Roney, J. M. Sobie, R. J. Tasneem, N. Gershon, T. J. Harrison, P. F. Latham, T. E. Band, H. R. Dasu, S. Pan, Y. Prepost, R. Wu, S. L. CA BaBar Collaboration TI Search for the decay modes D-0 -> e(+) e(-), D-0 -> mu(+) mu(-), and D-0 -> e(+/-) mu -/+ SO PHYSICAL REVIEW D LA English DT Article AB We present searches for the rare decay modes D-0 -> e(+) e(-), D-0 -> mu(+) mu(-), and D-0 -> e(+/-) mu(-/+) in continuum e(+) e(-) -> c (c) over bar events recorded by the BABAR detector in a data sample that corresponds to an integrated luminosity of 468 fb(-1). These decays are highly Glashow-Iliopoulos-Maiani suppressed but may be enhanced in several extensions of the standard model. Our observed event yields are consistent with the expected backgrounds. An excess is seen in the D-0 -> mu(+) mu(-) channel, although the observed yield is consistent with an upward background fluctuation at the 5% level. Using the Feldman-Cousins method, we set the following 90% confidence level intervals on the branching fractions: B(D-0 -> e(+) e(-)) < 1.7 x 10(-7), B(D-0 -> mu(+) mu(-)) within [0.6,8.1] x 10(-7), and B(D-0 -> e(+/-) mu(-/+)) < 3.3 x 10(-7). C1 [Lees, J. P.; Poireau, V.; Tisserand, V.] Univ Savoie, LAPP, CNRS IN2P3, F-74941 Annecy Le Vieux, France. [Garra Tico, J.; Grauges, E.] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. [Palano, A.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Palano, A.] Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. [Eigen, G.; Stugu, B.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Brown, D. N.; Kerth, L. T.; Kolomensky, Yu G.; Lynch, G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Koch, H.; Schroeder, T.] Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. [Asgeirsson, D. J.; Hearty, C.; Mattison, T. S.; McKenna, J. A.; So, R. Y.] Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. [Khan, A.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Blinov, V. E.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Kravchenko, E. A.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.; Yushkov, A. N.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Bondioli, M.; Kirkby, D.; Lankford, A. J.; Mandelkern, M.] Univ Calif Irvine, Irvine, CA 92697 USA. [Atmacan, H.; Gary, J. W.; Liu, F.; Long, O.; Mullin, E.; Vitug, G. M.] Univ Calif Riverside, Riverside, CA 92521 USA. [Campagnari, C.; Hong, T. M.; Kovalskyi, D.; Richman, J. D.; West, C. A.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Eisner, A. M.; Kroseberg, J.; Lockman, W. S.; Martinez, A. J.; Schumm, B. A.; Seiden, A.] Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. [Chao, D. S.; Cheng, C. H.; Echenard, B.; Flood, K. T.; Hitlin, D. G.; Ongmongkolkul, P.; Porter, F. C.; Rakitin, A. Y.] CALTECH, Pasadena, CA 91125 USA. [Andreassen, R.; Huard, Z.; Meadows, B. T.; Sokoloff, M. D.; Sun, L.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Bloom, P. C.; Ford, W. T.; Gaz, A.; Nauenberg, U.; Smith, J. G.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Ayad, R.; Toki, W. H.] Colorado State Univ, Ft Collins, CO 80523 USA. [Spaan, B.] Tech Univ Dortmund, Fak Phys, D-44221 Dortmund, Germany. [Schubert, K. R.; Schwierz, R.] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Bernard, D.; Verderi, M.] Ecole Polytech, CNRS IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Clark, P. J.; Playfer, S.] Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. [Bettoni, D.; Bozzi, C.; Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Garzia, I.; Luppi, E.; Munerato, M.; Piemontese, L.; Santoro, V.] Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy. [Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Luppi, E.; Munerato, M.] Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. [Baldini-Ferroli, R.; Calcaterra, A.; De Sangro, R.; Finocchiaro, G.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Rama, M.; Zallo, A.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Contri, R.; Guido, E.; Lo Vetere, M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Contri, R.; Guido, E.; Lo Vetere, M.; Monge, M. R.; Patrignani, C.] Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. [Bhuyan, B.; Prasad, V.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Lee, C. L.; Morii, M.] Harvard Univ, Cambridge, MA 02138 USA. [Edwards, A. J.] Harvey Mudd Coll, Claremont, CA 91711 USA. [Adametz, A.; Uwer, U.] Univ Heidelberg, Inst Phys, D-69120 Heidelberg, Germany. [Lacker, H. M.; Lueck, T.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Dauncey, P. D.] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Mallik, U.] Univ Iowa, Iowa City, IA 52242 USA. [Chen, C.; Cochran, J.; Meyer, W. T.; Prell, S.; Rubin, A. E.] Iowa State Univ, Ames, IA 50011 USA. [Gritsan, A. V.; Guo, Z. J.] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Arnaud, N.; Davier, M.; Derkach, D.; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Roudeau, P.; Schune, M. H.; Stocchi, A.; Wormser, G.] Univ Paris 11, Ctr Sci Orsay, F-91898 Orsay, France. [Arnaud, N.; Davier, M.; Derkach, D.; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Roudeau, P.; Schune, M. H.; Stocchi, A.; Wormser, G.] IN2P3 CNRS, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Lange, D. J.; Wright, D. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Chavez, C. A.; Coleman, J. P.; Fry, J. R.; Gabathuler, E.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Bevan, A. J.; Di Lodovico, F.; Sacco, R.; Sigamani, M.] Univ London, London E1 4NS, England. [Cowan, G.] Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. [Brown, D. N.; Davis, C. L.] Univ Louisville, Louisville, KY 40292 USA. [Denig, A. G.; Fritsch, M.; Gradl, W.; Griessinger, K.; Hafner, A.; Prencipe, E.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany. [Barlow, R. J.; Jackson, G.; Lafferty, G. D.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Behn, E.; Cenci, R.; Hamilton, B.; Jawahery, A.; Roberts, D. A.] Univ Maryland, College Pk, MD 20742 USA. [Dallapiccola, C.] Univ Massachusetts, Amherst, MA 01003 USA. [Cowan, R.; Dujmic, D.; Sciolla, G.] MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. [Cheaib, R.; Lindemann, D.; Patel, P. M.; Robertson, S. H.] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Biassoni, P.; Neri, N.; Palombo, F.; Stracka, S.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Biassoni, P.; Palombo, F.; Stracka, S.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Cremaldi, L.; Godang, R.; Kroeger, R.; Sonnek, P.; Summers, D. J.] Univ Mississippi, University, MS 38677 USA. [Nguyen, X.; Simard, M.; Taras, P.] Univ Montreal, Montreal, PQ H3C 3J7, Canada. [De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.] Ist Nazl Fis Nucl, Sez Napoli, I-80126 Naples, Italy. [De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.] Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. [Martinelli, M.; Raven, G.] Natl Inst Nucl Phys & High Energy Phys, NIKHEF, NL-1009 DB Amsterdam, Netherlands. [Jessop, C. P.; LoSecco, J. M.; Wang, W. F.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Honscheid, K.; Kass, R.] Ohio State Univ, Columbus, OH 43210 USA. [Brau, J.; Frey, R.; Sinev, N. B.; Strom, D.; Torrence, E.] Univ Oregon, Eugene, OR 97403 USA. [Feltresi, E.; Gagliardi, N.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simi, G.; Simonetto, F.; Stroili, R.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Feltresi, E.; Gagliardi, N.; Margoni, M.; Simonetto, F.; Stroili, R.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. [Akar, S.; Ben-Haim, E.; Bomben, M.; Bonneaud, G. R.; Briand, H.; Calderini, G.; Chauveau, J.; Hamon, O.; Leruste, Ph; Marchiori, G.; Ocariz, J.; Sitt, S.] Univ Paris 07, Univ Paris 06, IN2P3 CNRS, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. [Biasini, M.; Manoni, E.; Pacetti, S.; Rossi, A.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Peruzzi, I. M.; Biasini, M.; Manoni, E.; Pacetti, S.; Rossi, A.] Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. [Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Oberhof, B.; Paoloni, E.; Perez, A.; Rizzo, G.; Walsh, J. J.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Oberhof, B.; Paoloni, E.; Rizzo, G.] Univ Pisa, Dipartimento Fis, I-56127 Pisa, Italy. [Lusiani, A.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Pegna, D. Lopes; Olsen, J.; Smith, A. J. S.; Telnov, A. V.] Princeton Univ, Princeton, NJ 08544 USA. [Anulli, F.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Gioi, L. Li; Mazzoni, M. A.; Piredda, G.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Faccini, R.; Ferroni, F.; Gaspero, M.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Buenger, C.; Gruenberg, O.; Hartmann, T.; Leddig, T.; Schroeder, H.; Voss, C.; Waldi, R.] Univ Rostock, D-18051 Rostock, Germany. [Adye, T.; Olaiya, E. O.; Wilson, F. F.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Emery, S.; de Monchenault, G. Hamel; Vasseur, G.; Yeche, Ch] CEA, Ctr Saclay, SPP, Irfu, F-91191 Gif Sur Yvette, France. [Aston, D.; Bard, D. J.; Bartoldus, R.; Benitez, J. F.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Ebert, M.; Field, R. C.; Sevilla, M. Franco; Fulsom, B. G.; Gabareen, A. M.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.; Kelsey, M. H.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Lewis, P.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Muller, D. R.; Neal, H.; Nelson, S.; Perl, M.; Pulliam, T.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Schindler, R. H.; Snyder, A.; Su, D.; Sullivan, M. K.; Va'vra, J.; Wagner, A. P.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Young, C. C.; Ziegler, V.] SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. [Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Randle-Conde, A.; Sekula, S. J.] So Methodist Univ, Dallas, TX 75275 USA. [Bellis, M.; Burchat, P. R.; Miyashita, T. S.; Puccio, E. M. T.] Stanford Univ, Stanford, CA 94305 USA. [Alam, M. S.; Ernst, J. A.] SUNY Albany, Albany, NY 12222 USA. [Gorodeisky, R.; Guttman, N.; Peimer, D. R.; Soffer, A.] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Lund, P.; Spanier, S. M.] Univ Tennessee, Knoxville, TN 37996 USA. [Ritchie, J. L.; Ruland, A. M.; Schwitters, R. F.; Wray, B. C.] Univ Texas Austin, Austin, TX 78712 USA. [Izen, J. M.; Lou, X. C.] Univ Texas Dallas, Richardson, TX 75083 USA. [Bianchi, F.; Gamba, D.; Zambito, S.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Bianchi, F.; Gamba, D.; Zambito, S.] Univ Torino, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. [Lanceri, L.; Vitale, L.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Lanceri, L.; Vitale, L.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Martinez-Vidal, F.] Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. [Oyanguren, A.; Ahmed, H.; Albert, J.; Banerjee, Sw; Bernlochner, F. U.; Choi, H. H. F.; King, G. J.; Kowalewski, R.; Lewczuk, M. J.; Nugent, M.; Roney, J. M.; Sobie, R. J.; Tasneem, N.] Univ Victoria, Victoria, BC V8W 3P6, Canada. [Gershon, T. J.; Harrison, P. F.; Latham, T. E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Band, H. R.; Dasu, S.; Pan, Y.; Prepost, R.; Wu, S. L.] Univ Wisconsin, Madison, WI 53706 USA. [Carpinelli, M.] Univ Sassari, I-07100 Sassari, Italy. RP Lees, JP (reprint author), Univ Savoie, LAPP, CNRS IN2P3, F-74941 Annecy Le Vieux, France. RI Rizzo, Giuliana/A-8516-2015; Kolomensky, Yury/I-3510-2015; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Stracka, Simone/M-3931-2015; Di Lodovico, Francesca/L-9109-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Martinez Vidal, F*/L-7563-2014; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; de Sangro, Riccardo/J-2901-2012; Lo Vetere, Maurizio/J-5049-2012; Patrignani, Claudia/C-5223-2009; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; White, Ryan/E-2979-2015; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015 OI Pacetti, Simone/0000-0002-6385-3508; Rizzo, Giuliana/0000-0003-1788-2866; Faccini, Riccardo/0000-0003-2613-5141; Raven, Gerhard/0000-0002-2897-5323; Kolomensky, Yury/0000-0001-8496-9975; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Stracka, Simone/0000-0003-0013-4714; Di Lodovico, Francesca/0000-0003-3952-2175; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Paoloni, Eugenio/0000-0001-5969-8712; Cibinetto, Gianluigi/0000-0002-3491-6231; Martinez Vidal, F*/0000-0001-6841-6035; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; de Sangro, Riccardo/0000-0002-3808-5455; Lo Vetere, Maurizio/0000-0002-6520-4480; Patrignani, Claudia/0000-0002-5882-1747; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; White, Ryan/0000-0003-3589-5900; Calabrese, Roberto/0000-0002-1354-5400 FU SLAC; U.S. Department of Energy; National Science Foundation; Natural Sciences and Engineering Research Council (Canada); Commissariat a l'Energie Atomique; Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung; Istituto Nazionale di Fisica Nucleare (Italy); Foundation for Fundamental Research on Matter (Netherlands); Research Council of Norway; Ministry of Education and Science of the Russian Federation; Ministerio de Ciencia e Innovacion (Spain); Science and Technology Facilities Council (United Kingdom); European Union; A.P. Sloan Foundation (USA); Deutsche Forschungsgemeinschaft (Germany) FX We are grateful for the extraordinary contributions of our PEP-II colleagues in achieving the excellent luminosity and machine conditions that have made this work possible. The success of this project also relies critically on the expertise and dedication of the computing organizations that support BABAR. The collaborating institutions wish to thank SLAC for its support and the kind hospitality extended to them. This work is supported by the U.S. Department of Energy and National Science Foundation, the Natural Sciences and Engineering Research Council (Canada), the Commissariat a l'Energie Atomique and Institut National de Physique Nucleaire et de Physique des Particules (France), the Bundesministerium fur Bildung und Forschung and Deutsche Forschungsgemeinschaft (Germany), the Istituto Nazionale di Fisica Nucleare (Italy), the Foundation for Fundamental Research on Matter (Netherlands), the Research Council of Norway, the Ministry of Education and Science of the Russian Federation, Ministerio de Ciencia e Innovacion (Spain), and the Science and Technology Facilities Council (United Kingdom). Individuals have received support from the Marie-Curie IEF program (European Union) and the A. P. Sloan Foundation (USA). NR 17 TC 4 Z9 5 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG 1 PY 2012 VL 86 IS 3 AR 032001 DI 10.1103/PhysRevD.86.032001 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 981TO UT WOS:000306993800002 ER PT J AU Claycomb, W Shin, D Ahn, GJ AF Claycomb, William Shin, Dongwan Ahn, Gail-Joon TI Enhancing directory virtualization to detect insider activity SO SECURITY AND COMMUNICATION NETWORKS LA English DT Article DE virtual directories; insider threat; security AB One of the critical yet lingering issues in computer security is insider threat, and it often takes advantage of some security services based on directory services such as authentication and access control. Detecting these threats is quite challenging because malicious users with the technical ability to leverage these services often have sufficient knowledge and expertise to conceal unauthorized activity. In this article, we present an approach using directory virtualization to monitor various systems across an enterprise for the purpose of detecting malicious insider activity. Specifically, a policy engine that leverages directory virtualization services is proposed to enhance monitoring and detecting capabilities by allowing greater flexibility in analyzing changes for malicious intent. The resulting architecture is a system-based approach, where the relationships and dependencies between data sources and directory services are used to detect an insider threat, rather than simply relying on point solutions. This paper presents such an architecture in detail, including a description of implementation results. Copyright (C) 2011 John Wiley & Sons, Ltd. C1 [Shin, Dongwan] New Mexico Inst Min & Technol, Dept Comp Sci & Engn, Socorro, NM USA. [Claycomb, William] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Ahn, Gail-Joon] Arizona State Univ, Dept Comp Sci, Tempe, AZ 85287 USA. RP Shin, D (reprint author), New Mexico Inst Min & Technol, Dept Comp Sci & Engn, Socorro, NM USA. EM doshin@nmt.edu FU National Science Foundation [NSF-IIS-0916875, NSF-IIS-0900970, NSF-CNS-0831360]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work of Dongwan Shin was partially supported at the Secure Computing Laboratory at New Mexico Tech by the grant from the National Science Foundation (NSF-IIS-0916875). The work of Gail-J. Ahn was partially supported by the grants from National Science Foundation (NSF-IIS-0900970 and NSF-CNS-0831360).; Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 37 TC 1 Z9 1 U1 0 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1939-0114 J9 SECUR COMMUN NETW JI Secur. Commun. Netw. PD AUG PY 2012 VL 5 IS 8 SI SI BP 873 EP 886 DI 10.1002/sec.362 PG 14 WC Computer Science, Information Systems; Telecommunications SC Computer Science; Telecommunications GA 980NQ UT WOS:000306900500005 ER PT J AU Mak, KF Ju, L Wang, F Heinz, TF AF Mak, Kin Fai Ju, Long Wang, Feng Heinz, Tony F. TI Optical spectroscopy of graphene: From the far infrared to the ultraviolet SO SOLID STATE COMMUNICATIONS LA English DT Article DE Graphene; Optical properties ID RAMAN-SPECTROSCOPY; GRAPHITE; FILMS; TRANSPORT; DYNAMICS; DISORDER; PLASMON; LAYERS; PHASE AB The unique electronic structure of graphene leads to several distinctive optical properties. In this brief review, we outline the current understanding of two general aspects of optical response of graphene: optical absorption and light emission. We show that optical absorption in graphene is dominated by intraband transitions at low photon energies (in the far-infrared spectral range) and by interband transitions at higher energies (from mid-infrared to ultraviolet). We discuss how the intraband and interband transitions in graphene can be modified through electrostatic gating. We describe plasmonic resonances arising from the free-carrier (intraband) response and excitonic effects that are manifested in the interband absorption. Light emission, the reverse process of absorption, is weak in graphene due to the absence of a band gap. We show that photoluminescence from hot electrons can, however, become observable either through femtosecond laser excitation or strong electrostatic gating. (c) 2012 Elsevier Ltd. All rights reserved. C1 [Ju, Long; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Mak, Kin Fai; Heinz, Tony F.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Mak, Kin Fai; Heinz, Tony F.] Columbia Univ, Dept Elect Engn, New York, NY 10027 USA. [Wang, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wang, F (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM fengwang76@berkeley.edu; tony.heinz@columbia.edu RI Heinz, Tony/K-7797-2015; wang, Feng/I-5727-2015 OI Heinz, Tony/0000-0003-1365-9464; FU National Science Foundation [DMR-1106225]; Keck Foundation (at Columbia); Office of Naval Research through MURI grant (at Berkeley) [N00014-09-1066]; David and Lucile Packard Fellowship FX Preparation of this review was supported by the National Science Foundation through grant DMR-1106225 and the Keck Foundation (at Columbia) and by the Office of Naval Research through MURI grant N00014-09-1066 (at Berkeley). F.W. also acknowledges support from a David and Lucile Packard Fellowship. NR 82 TC 161 Z9 163 U1 16 U2 270 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 AUG PY 2012 VL 152 IS 15 SI SI BP 1341 EP 1349 DI 10.1016/j.ssc.2012.04.064 PG 9 WC Physics, Condensed Matter SC Physics GA 983ZV UT WOS:000307158100011 ER PT J AU Godinez, HC Koller, J AF Godinez, H. C. Koller, J. TI Localized adaptive inflation in ensemble data assimilation for a radiation belt model SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID ATMOSPHERIC DATA ASSIMILATION; KALMAN FILTER; RELATIVISTIC ELECTRONS; COVARIANCE INFLATION; ERROR ESTIMATION; DIFFUSION AB In this work a one-dimensional radial diffusion model for phase space density, together with observational satellite data, is used in an ensemble data assimilation with the purpose of accurately estimating Earth's radiation belt particle distribution. A particular concern in data assimilation for radiation belt models are model deficiencies, which can adversely impact the solution of the assimilation. To adequately address these deficiencies, a localized adaptive covariance inflation technique is implemented in the data assimilation to account for model uncertainty. Numerical results from identical-twin experiments, where data is generated from the same model, as well as the assimilation of real observational data, are presented. The results show improvement in the predictive skill of the model solution due to the proper inclusion of model errors in the data assimilation. Citation: Godinez, H. C., and J. Koller (2012), Localized adaptive inflation in ensemble data assimilation for a radiation belt model, Space Weather, 10, S08001, doi:10.1029/2012SW000767. C1 [Godinez, H. C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Koller, J.] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA. RP Godinez, HC (reprint author), Los Alamos Natl Lab, Div Theoret, Mail Stop B284, Los Alamos, NM 87545 USA. EM hgodinez@lanl.gov NR 40 TC 10 Z9 10 U1 0 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1542-7390 J9 SPACE WEATHER JI Space Weather PD AUG 1 PY 2012 VL 10 AR S08001 DI 10.1029/2012SW000767 PG 11 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA 984IA UT WOS:000307182100001 ER PT J AU Ray, J McKenna, SA Waanders, BV Marzouk, YM AF Ray, J. McKenna, S. A. Waanders, B. van Bloemen Marzouk, Y. M. TI Bayesian reconstruction of binary media with unresolved fine-scale spatial structures SO ADVANCES IN WATER RESOURCES LA English DT Article DE Upscaling; Binary media; Bayesian technique; Multiscale inference ID MONTE-CARLO METHOD; EFFECTIVE CONDUCTIVITY; POROUS-MEDIA; EFFECTIVE PERMEABILITY; METROPOLIS ALGORITHM; EXCURSION SETS; MARKOV-CHAINS; FLOW; MODELS; PARAMETERIZATION AB We present a Bayesian technique to estimate the fine-scale properties of a binary medium from multiscale observations. The binary medium of interest consists of spatially varying proportions of low and high permeability material with an isotropic structure. Inclusions of one material within the other are far smaller than the domain sizes of interest, and thus are never explicitly resolved. We consider the problem of estimating the spatial distribution of the inclusion proportion, F(x), and a characteristic length-scale of the inclusions, delta, from sparse multiscale measurements. The observations consist of coarse-scale (of the order of the domain size) measurements of the effective permeability of the medium (i.e., static data) and tracer breakthrough times (i.e., dynamic data), which interrogate the fine scale, at a sparsely distributed set of locations. This ill-posed problem is regularized by specifying a Gaussian process model for the unknown field F(x) and expressing it as a superposition of Karhunen-Loeve modes. The effect of the fine-scale structures on the coarse-scale effective permeability i.e., upscaling, is performed using a subgrid-model which includes delta as one of its parameters. A statistical inverse problem is posed to infer the weights of the Karhunen-Loeve modes and delta, which is then solved using an adaptive Markov Chain Monte Carlo method. The solution yields non-parametric distributions for the objects of interest, thus providing most probable estimates and uncertainty bounds on latent structures at coarse and fine scales. The technique is tested using synthetic data. The individual contributions of the static and dynamic data to the inference are also analyzed. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Ray, J.] Sandia Natl Labs, Livermore, CA 94550 USA. [McKenna, S. A.; Waanders, B. van Bloemen] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Marzouk, Y. M.] MIT, Cambridge, MA 02139 USA. RP Ray, J (reprint author), Sandia Natl Labs, MS 9159,POB 969, Livermore, CA 94550 USA. EM jairay@sandia.gov FU Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work was improved by the comments of three anonymous reviewers. NR 73 TC 1 Z9 1 U1 0 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 J9 ADV WATER RESOUR JI Adv. Water Resour. PD AUG PY 2012 VL 44 BP 1 EP 19 DI 10.1016/j.advwatres.2012.04.009 PG 19 WC Water Resources SC Water Resources GA 976VQ UT WOS:000306615700001 ER PT J AU Lupoi, JS Smith, EA AF Lupoi, Jason S. Smith, Emily A. TI Characterization of Woody and Herbaceous Biomasses Lignin Composition with 1064 nm Dispersive Multichannel Raman Spectroscopy SO APPLIED SPECTROSCOPY LA English DT Article DE Near-infrared Raman spectroscopy; Plant cell wall; Guaiacyl lignin; Syringyl lignin; Principal component analysis; PCA; Principal component regression; PCR ID MONOMER COMPOSITION; RESONANCE RAMAN; SYRINGYL LIGNIN; GUAIACYL; SPECTRA; SPRUCE; CLASSIFICATION; THIOACIDOLYSIS; ACIDOLYSIS; PREDICTION AB Biomass representing different classes of bioenergy feedstocks, including woody and herbaceous species, was measured with 1064 nm Raman spectroscopy. Pine, oak, poplar, kenaf, miscanthus, pampas grass, switchgrass, alfalfa, orchard grass, and red clover were included in this study. Spectral differences have been identified with an emphasis on lignin guaiacyl and syringyl monomer content and carotenoid compounds. The interpretation of the Raman spectra was correlated with C-13-nuclear magnetic resonance cross-polarization/magic-angle spinning spectra of select biomass samples. Thioacidolysis quantification of guaiacyl and syringyl monomer composition and the library of Raman spectra were used as a training set to develop a principal component analysis model for classifying plant samples and a principal component regression model for quantifying lignin guaiacyl and syringyl composition. Raman spectroscopy with 1064 nm excitation offers advantages over alternative techniques for biomass characterization, including low spectral backgrounds, higher spectral resolution, short analysis times, and nondestructive analyses. C1 [Lupoi, Jason S.; Smith, Emily A.] US DOE, Ames Lab, Ames, IA 50011 USA. [Lupoi, Jason S.; Smith, Emily A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Smith, EA (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM esmith1@iastate.edu OI Smith, Emily/0000-0001-7438-7808 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; U.S. Department of Energy [DE-AC02-07CH11358]; GAANN through the Department of Chemistry, Iowa State University FX This research is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. Additional funding was provided to JSL by the GAANN fellowship through the Department of Chemistry, Iowa State University. The authors thank Drs. Emily Heaton and Kenneth Moore (Iowa State University, Department of Agronomy) for supplying switchgrass, miscanthus, alfalfa, kenaf, red clover, and orchard grass. The authors thank Dr. Sarah Cady and Steve Veysey (Iowa State University, Department of Chemistry, Chemical Instrumentation Facility) for assistance with 13C-NMR CP MAS and GC/MS. NR 50 TC 10 Z9 10 U1 3 U2 61 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 5320 SPECTRUM DRIVE SUITE C, FREDERICK, MD 21703 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD AUG PY 2012 VL 66 IS 8 BP 903 EP 910 DI 10.1366/12-06621 PG 8 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 978DK UT WOS:000306720600006 PM 22800567 ER PT J AU Perrett, K Sullivan, M Conley, A Gonzalez-Gaitan, S Carlberg, R Fouchez, D Ripoche, P Neill, JD Astier, P Balam, D Balland, C Basa, S Guy, J Hardin, D Hook, IM Howell, DA Pain, R Palanque-Delabrouille, N Pritchet, C Regnault, N Rich, J Ruhlmann-Kleider, V Baumont, S Lidman, C Perlmutter, S Walker, ES AF Perrett, K. Sullivan, M. Conley, A. Gonzalez-Gaitan, S. Carlberg, R. Fouchez, D. Ripoche, P. Neill, J. D. Astier, P. Balam, D. Balland, C. Basa, S. Guy, J. Hardin, D. Hook, I. M. Howell, D. A. Pain, R. Palanque-Delabrouille, N. Pritchet, C. Regnault, N. Rich, J. Ruhlmann-Kleider, V. Baumont, S. Lidman, C. Perlmutter, S. Walker, E. S. TI EVOLUTION IN THE VOLUMETRIC TYPE Ia SUPERNOVA RATE FROM THE SUPERNOVA LEGACY SURVEY SO ASTRONOMICAL JOURNAL LA English DT Article DE supernovae: general; surveys ID DELAY-TIME DISTRIBUTION; STAR-FORMATION HISTORY; FRANCE-HAWAII-TELESCOPE; SUBARU DEEP FIELD; GAMMA-RAY BURSTS; HIGH-REDSHIFT; LUMINOSITY FUNCTIONS; HOST GALAXIES; STELLAR MASS; SEARCH AB We present a measurement of the volumetric Type Ia supernova (SN Ia) rate (SNRIa) as a function of redshift for the first four years of data from the Canada-France-Hawaii Telescope Supernova Legacy Survey (SNLS). This analysis includes 286 spectroscopically confirmed and more than 400 additional photometrically identified SNe Ia within the redshift range 0.1 <= z <= 1.1. The volumetric SNRIa evolution is consistent with a rise to z similar to 1.0 that follows a power law of the form (1+z)(alpha), with alpha = 2.11 +/- 0.28. This evolutionary trend in the SNLS rates is slightly shallower than that of the cosmic star formation history (SFH) over the same redshift range. We combine the SNLS rate measurements with those from other surveys that complement the SNLS redshift range, and fit various simple SN Ia delay-time distribution (DTD) models to the combined data. A simple power-law model for the DTD (i.e., alpha t(-beta)) yields values from beta = 0.98 +/- 0.05 to beta = 1.15 +/- 0.08 depending on the parameterization of the cosmic SFH. A two-component model, where SNRIa is dependent on stellar mass (M-stellar) and star formation rate (SFR) as SNRIa(z) = A x M-stellar(z) + B x SFR(z), yields the coefficients A = (1.9 +/- 0.1) x 10(-14) SNe yr(-1) M-circle dot(-1) and B = (3.3 +/- 0.2) x 10(-4) SNe yr(-1) (M-circle dot yr(-1))(-1). More general two-component models also fit the data well, but single Gaussian or exponential DTDs provide significantly poorer matches. Finally, we split the SNLS sample into two populations by the light-curve width (stretch), and show that the general behavior in the rates of faster-declining SNe Ia (0.8 <= s < 1.0) is similar, within our measurement errors, to that of the slower objects (1.0 <= s < 1.3) out to z similar to 0.8. C1 [Perrett, K.; Gonzalez-Gaitan, S.; Carlberg, R.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Perrett, K.] DRDC Ottawa, Network Informat Operat, Ottawa, ON K1A 0Z4, Canada. [Sullivan, M.; Hook, I. M.] Univ Oxford, Dept Phys Astrophys, DWB, Oxford OX1 3RH, England. [Conley, A.] Univ Colorado, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Fouchez, D.] CNRS IN2P3, CPPM, F-13288 Marseille 9, France. [Fouchez, D.] Univ Aix Marseille 2, F-13288 Marseille 9, France. [Ripoche, P.; Perlmutter, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ripoche, P.; Astier, P.; Balland, C.; Guy, J.; Hardin, D.; Pain, R.; Regnault, N.; Baumont, S.] Univ Paris 07, Univ Paris 06, LPNHE, CNRS IN2P3, F-75005 Paris, France. [Neill, J. D.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Balam, D.] Dominion Astrophys Observ, Herzberg Inst Astrophys, Victoria, BC V9E 2E7, Canada. [Balland, C.] Univ Paris 11, Dept Phys, F-91405 Orsay, France. [Basa, S.] Lab Astrophys Marseille, F-13388 Marseille 13, France. [Hook, I. M.] Osserv Astron Roma, INAF, I-00040 Monte Porzio Catone, RM, Italy. [Howell, D. A.] Global Telescope Network, Las Cumbres Observ, Goleta, CA 93117 USA. [Howell, D. A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Palanque-Delabrouille, N.; Rich, J.; Ruhlmann-Kleider, V.] CEA Saclay, DSM IRFU SPP, F-91191 Gif Sur Yvette, France. [Pritchet, C.] Univ Victoria, Dept Phys & Astron, Victoria, BC V8W 3P6, Canada. [Baumont, S.] CNRS IN2P3, LPSC, F-38026 Grenoble, France. [Lidman, C.] Australian Astron Observ, Epping, NSW 1710, Australia. [Perlmutter, S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Walker, E. S.] Scuola Normale Super Pisa, I-56126 Pisa, Italy. RP Perrett, K (reprint author), Univ Toronto, Dept Astron & Astrophys, 50 St George St, Toronto, ON M5S 3H4, Canada. EM perrett@astro.utoronto.ca; sullivan@astro.ox.ac.uk RI Carlberg, Raymond/I-6947-2012; Perlmutter, Saul/I-3505-2015; OI Carlberg, Raymond/0000-0002-7667-0081; Perlmutter, Saul/0000-0002-4436-4661; Sullivan, Mark/0000-0001-9053-4820 FU NSERC; CIAR; French collaboration members from CNRS/IN2P3; CNRS/INSU; CEA; Royal Society; W.M. Keck Foundation FX We are sincerely grateful to the entire Queued-Service Observations team and staff at CFHT for their patience and assistance throughout the SNLS real-time observing period. We are particularly indebted to Pierre Martin, Jean-Charles Cuillandre, KanoaWithington, and HerbWoodruff. Canadian collaboration members acknowledge support from NSERC and CIAR; French collaboration members from CNRS/IN2P3, CNRS/INSU, and CEA. M.S. acknowledges support from the Royal Society.; This work is based in part on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the Science and Technology Facilities Council (United Kingdom), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), CNPq (Brazil), and CONICET (Argentina). Gemini program IDs: GS-2003BQ-8, GN-2003B-Q-9, GS-2004A-Q-11, GN-2004A-Q-19, GS2004B-Q-31, GN-2004B-Q-16, GS-2005A-Q-11, GN-2005AQ-11, GS-2005B-Q-6, GN-2005B-Q-7, GN-2006A-Q-7, GN-2006B-Q-10, and GN-2007A-Q-8. Observations made with ESO Telescopes at the Paranal Observatory under program IDs 171. A-0486 and 176. A-0589. Some of the data presented herein were obtained at the W.M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W.M. Keck Foundation. NR 83 TC 30 Z9 30 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 J9 ASTRON J JI Astron. J. PD AUG PY 2012 VL 144 IS 2 AR 59 DI 10.1088/0004-6256/144/2/59 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 976PK UT WOS:000306596600030 ER PT J AU Ullah, G Parker, I Mak, DOD Pearson, JE AF Ullah, Ghanim Parker, Ian Mak, Don-On Daniel Pearson, John E. TI Multi-scale data-driven modeling and observation of calcium puffs SO CELL CALCIUM LA English DT Article DE Ion channel; IP3R; Puffs; Blips; Ca2+ signaling; Puff termination ID INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR; CA2+ RELEASE; CHANNEL ACTIVITY; XENOPUS-OOCYTES; TRISPHOSPHATE RECEPTOR; KINETIC-MODEL; IP3 RECEPTORS; STEADY-STATE; SINGLE; CELLS AB The spatiotemporal dynamics of elementary Ca2+ release events, such as "blips" and "puffs" shapes the hierarchal Ca2+ signaling in many cell types. Despite being the building blocks of Ca2+ patterning, the mechanism responsible for the observed properties of puffs, especially their termination is incompletely understood. In this paper, we employ a data-driven approach to gain insights into the complex dynamics of blips and puffs. We use a model of inositol 1,4,5-trisphosphate (IP3) receptor (IP3R) derived directly from single channel patch clamp data taken at 10 mu M concentration of IP3 to simulate calcium puffs. We first reproduce recent observations regarding puffs and blips and then investigate the mechanism of puff termination. Our model suggests that during a puff, IP3R s proceed around a loop through kinetic states from "rest" to "open" to "inhibited" and back to "rest". A puff terminates because of self-inhibition. Based on our simulations, we rule out the endoplasmic reticulum (ER) Ca2+ depletion as a possible cause for puff termination. The data-driven approach also enables us to estimate the current through a single IP3R and the peak Ca2+ concentration near the channel pore. Published by Elsevier Ltd. C1 [Ullah, Ghanim; Pearson, John E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Parker, Ian] Univ Calif Irvine, Dept Neurobiol & Behav, Irvine, CA USA. [Parker, Ian] Univ Calif Irvine, Dept Physiol & Biophys, Irvine, CA 92717 USA. [Mak, Don-On Daniel] Univ Penn, Dept Physiol, Philadelphia, PA 19104 USA. RP Pearson, JE (reprint author), Los Alamos Natl Lab, T-10 Bast 6,POB 1663,MS K710, Los Alamos, NM 87545 USA. EM pearson@lanl.gov FU NIH [5RO1GM065830-08] FX This material is based upon work supported by NIH under grant 5RO1GM065830-08. NR 39 TC 17 Z9 18 U1 1 U2 6 PU CHURCHILL LIVINGSTONE PI EDINBURGH PA JOURNAL PRODUCTION DEPT, ROBERT STEVENSON HOUSE, 1-3 BAXTERS PLACE, LEITH WALK, EDINBURGH EH1 3AF, MIDLOTHIAN, SCOTLAND SN 0143-4160 J9 CELL CALCIUM JI Cell Calcium PD AUG PY 2012 VL 52 IS 2 BP 152 EP 160 DI 10.1016/j.ceca.2012.04.018 PG 9 WC Cell Biology SC Cell Biology GA 978WM UT WOS:000306776500005 PM 22682010 ER PT J AU Chromy, BA Elsheikh, M Christensen, TL Livingston, D Petersen, K Bearinger, JP Hoeprich, PD AF Chromy, Brett A. Elsheikh, Maher Christensen, Tova L. Livingston, Doug Petersen, Kyle Bearinger, Jane P. Hoeprich, Paul D. TI Repurposing screens identify rifamycins as potential broad-spectrum therapy for multidrug-resistant Acinetobacter baumannii and select agent microorganisms SO FUTURE MICROBIOLOGY LA English DT Article DE Acinetobacter baumannii; Bacillus anthracis; Francisella tularensis; rifamycins; select agent pathogens; Yersinia pestis ID PUBLIC-HEALTH MANAGEMENT; INFECTIOUS COMPLICATIONS; BIOLOGICAL WEAPON; BIOTERRORISM; CASUALTIES; ANTHRAX; TRAUMA; PLAGUE; DRUGS AB Aims: Estimates suggest that the drug discovery and development processes take between 10 and 15 years, with costs ranging between US$500 million and $2 billion. A growing number of bacteria have become resistant to approved antimicrobials. For example, the Gram-negative bacterium Acinetobacter baumannii has become multidrug resistant (MDR) and is now an important pathogen to the US military in terms of wound infections. Industry experts have called for a 'disruptive' transformation of the drug discovery process to find new chemical entities for treating drug-resistant infections. One such attempt is drug 'repurposing' or 'repositioning' - that is, identification and development of new uses for existing or abandoned pharmacotherapies. Materials & methods: Using a novel combination of screening technologies based on cell growth and cellular respiration, we screened 450 US FDA-approved drugs from the NIH National Clinical Collection against a dozen clinical MDR A. baumannii (MDRAb) isolates from US soldiers and Marines. We also screened the collection against a diverse set of select agent surrogate pathogens. Results: Seventeen drugs showed promising antimicrobial activity against all MDRAb isolates and select agent surrogates; three of these compounds - all rifamycins - were found to be effective at preventing growth and preventing cellular respiration of MDRAb and select agent surrogate bacteria when evaluated in growth prevention assays, highlighting the potential for repurposing. Conclusion: We report the discovery of a class of known compounds whose repurposing may be useful in solving the current problem with MDRAb and may lead to the discovery of broad-spectrum antimicrobials. C1 [Chromy, Brett A.] Univ Calif Davis, Sch Med, Dept Pathol & Lab Med, Davis, CA 95616 USA. [Chromy, Brett A.; Elsheikh, Maher; Christensen, Tova L.; Bearinger, Jane P.; Hoeprich, Paul D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Livingston, Doug] Evotec San Francisco, San Francisco, CA 94080 USA. [Petersen, Kyle] USN, Med Res Ctr, Silver Spring, MD 20910 USA. RP Chromy, BA (reprint author), Univ Calif Davis, Sch Med, Dept Pathol & Lab Med, Tupper Hot,Room 3440, Davis, CA 95616 USA. EM brett.chromy@ucdmc.ucdavis.edu FU US Department of Energy [DE-AC52-07NA27344]; Lawrence Livermore National Laboratory, Laboratory Directed Research and Development [08-ERD-020, 09-ERD-054] FX This work was performed under the auspices of the US Department of Energy under contract number DE-AC52-07NA27344. K Petersen is an employee of the US Navy; this work was prepared as part of his official duties. This work was supported by Lawrence Livermore National Laboratory, Laboratory Directed Research and Development awards: 08-ERD-020 and 09-ERD-054. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed. NR 28 TC 5 Z9 5 U1 0 U2 10 PU FUTURE MEDICINE LTD PI LONDON PA UNITEC HOUSE, 3RD FLOOR, 2 ALBERT PLACE, FINCHLEY CENTRAL, LONDON, N3 1QB, ENGLAND SN 1746-0913 J9 FUTURE MICROBIOL JI Future Microbiol. PD AUG PY 2012 VL 7 IS 8 BP 1011 EP 1020 DI 10.2217/FMB.12.75 PG 10 WC Microbiology SC Microbiology GA 980BL UT WOS:000306868500014 PM 22913359 ER PT J AU Graesser, J Cheriyadat, A Vatsavai, RR Chandola, V Long, J Bright, E AF Graesser, Jordan Cheriyadat, Anil Vatsavai, Ranga Raju Chandola, Varun Long, Jordan Bright, Eddie TI Image Based Characterization of Formal and Informal Neighborhoods in an Urban Landscape SO IEEE JOURNAL OF SELECTED TOPICS IN APPLIED EARTH OBSERVATIONS AND REMOTE SENSING LA English DT Article DE Formal; high-resolution; image features; informal; urban ID LAND-USE CLASSIFICATION; REMOTE-SENSING DATA; IMPERVIOUS SURFACES; HUMAN-SETTLEMENTS; SATELLITE IMAGES; PRESENCE INDEX; AREAS; EXTRACTION; TEXTURE; STATISTICS AB The high rate of global urbanization has resulted in a rapid increase in informal settlements, which can be defined as unplanned, unauthorized, and/or unstructured housing. Techniques for efficiently mapping these settlement boundaries can benefit various decision making bodies. From a remote sensing perspective, informal settlements share unique spatial characteristics that distinguish them from other types of structures (e. g., industrial, commercial, and formal residential). These spatial characteristics are often captured in high spatial resolution satellite imagery. We analyzed the role of spatial, structural, and contextual features (e. g., GLCM, Histogram of Oriented Gradients, Line Support Regions, Lacunarity) for urban neighborhood mapping, and computed several low-level image features at multiple scales to characterize local neighborhoods. The decision parameters to classify formal-, informal-, and non-settlement classes were learned under Decision Trees and a supervised classification framework. Experiments were conducted on high-resolution satellite imagery from the CitySphere collection, and four different cities (i.e., Caracas, Kabul, Kandahar, and La Paz) with varying spatial characteristics were represented. Overall accuracy ranged from 85% in La Paz, Bolivia, to 92% in Kandahar, Afghanistan. While the disparities between formal and informal neighborhoods varied greatly, many of the image statistics tested proved robust. C1 [Graesser, Jordan; Cheriyadat, Anil; Vatsavai, Ranga Raju; Chandola, Varun; Bright, Eddie] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Long, Jordan] Oak Ridge Associated Univ ORAU Program, Oak Ridge, TN 37831 USA. RP Bright, E (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM brightea@ornl.gov FU U.S. Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by employees of UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. NR 60 TC 26 Z9 27 U1 1 U2 40 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1939-1404 J9 IEEE J-STARS JI IEEE J. Sel. Top. Appl. Earth Observ. Remote Sens. PD AUG PY 2012 VL 5 IS 4 SI SI BP 1164 EP 1176 DI 10.1109/JSTARS.2012.2190383 PG 13 WC Engineering, Electrical & Electronic; Geography, Physical; Remote Sensing; Imaging Science & Photographic Technology SC Engineering; Physical Geography; Remote Sensing; Imaging Science & Photographic Technology GA 980VK UT WOS:000306922100010 ER PT J AU Theiler, J Wohlberg, B AF Theiler, James Wohlberg, Brendt TI Local Coregistration Adjustment for Anomalous Change Detection SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE Anomalous change detection (ACD); anomaly detection; change detection; coregistration; hyperspectral imagery; multispectral imagery ID REMOTE-SENSING IMAGES; REGISTRATION; MODELS AB We describe an approach for improving the robustness to misregistration of pixel-wise anomalous change detection (ACD) algorithms. The aim of ACD is to distinguish actual anomalous changes from the irrelevant incidental differences that occur throughout the scene. For such change detection to be effective, it is important that corresponding pixels in the two images of interest correspond to the same location in the scene. Indeed, one of the most confounding sources of incidental differences is the inevitable imprecision in the coregistration of the two images. We address this with small local adjustments to the coregistration which leads to a modified misregistration-insensitive measure of anomalousness. Several variants are considered, and the resulting performance improvements are evaluated using both real and simulated changes, and real and simulated misregistration. C1 [Theiler, James; Wohlberg, Brendt] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jt@lanl.gov; brendt@lanl.gov RI Wohlberg, Brendt/M-7764-2015 OI Wohlberg, Brendt/0000-0002-4767-1843 FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; NNSA's Laboratory Directed Research and Development Program FX Manuscript received August 30, 2010; revised August 1, 2011; accepted November 20, 2011. Date of publication January 31, 2012; date of current version July 18, 2012. This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract DE-AC52-06NA25396 and was supported by the NNSA's Laboratory Directed Research and Development Program. NR 26 TC 13 Z9 13 U1 1 U2 17 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD AUG PY 2012 VL 50 IS 8 BP 3107 EP 3116 DI 10.1109/TGRS.2011.2179942 PG 10 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 977UV UT WOS:000306691200014 ER PT J AU Pastor, JV Payri, R Salavert, JM Manin, J AF Pastor, J. V. Payri, R. Salavert, J. M. Manin, J. TI EVALUATION OF NATURAL AND TRACER FLUORESCENT EMISSION METHODS FOR DROPLET SIZE MEASUREMENTS IN A DIESEL SPRAY SO INTERNATIONAL JOURNAL OF AUTOMOTIVE TECHNOLOGY LA English DT Article DE Diesel spray; Sauter mean diameter (SMD); Laser-induced fluorescence (LIF); Rhodamine B; Fluorescence quantum yield ID PRESSURE CONDITIONS; FUEL CONCENTRATION; ENGINE; COMBUSTION; INJECTION; TEMPERATURE; DIAGNOSTICS; DEPENDENCE; NOZZLES; SYSTEMS AB Spray sizing that records fluorescent emission and scattered light has been widely applied to spray diagnostics over the last two decades. Different experimental strategies have been developed, but comparing the different solutions offered has remained of interest to experimentalists. In this work, a comparison of two fluorescence strategies for measuring droplet size in the liquid phase of a last-generation DI diesel spray is conducted. The natural fluorescent emission of a commercial diesel fuel and the fluorescence emitted by a tracer (Rhodamine B) are compared using theoretical and experimental approaches. The LIF/Mie ratio commonly called Planar Droplet Sizing (PDS) technique is applied in two different ways to elucidate the possible advantages of using a fluorescent dopant. The sprays were injected under non-evaporative conditions into a constant pressure vessel that simulates densities present at the moment of injection in currently used passenger car diesel engines. Characterization of the signal properties was performed by measuring the absorption coefficient, fluorescence emission spectrum, quantum yield and lifetime of both configurations. The scattered light and fluorescence intensities were calculated to verify the dependencies of the droplet surface and volume. When applying the two techniques to quantify droplet size in dense diesel sprays, the results show that signal weakness and lack of control over the properties of natural fluorescence produce distortion in the shape of the spray and cause measurements to be unreliable. C1 [Manin, J.] Sandia Natl Labs, Livermore, CA 94550 USA. [Pastor, J. V.; Payri, R.; Salavert, J. M.] Univ Politecn Valencia, CMT Motores Term, Valencia 46022, Spain. RP Manin, J (reprint author), Sandia Natl Labs, 7011 E Ave, Livermore, CA 94550 USA. EM jmanin@sandia.gov RI Pastor, Jose V./L-1869-2014; Payri, Raul/B-3662-2009 OI Pastor, Jose V./0000-0003-4113-4681; Payri, Raul/0000-0001-7428-5510 FU Ministerio de Ciencia e Innovacion [TRA2011-26293] FX This research has been funded in the frame of the project PROFUEL reference TRA2011-26293 from Ministerio de Ciencia e Innovacion. The injectors are part of the ECN international project. NR 35 TC 3 Z9 3 U1 0 U2 11 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 J9 INT J AUTO TECH-KOR JI Int. J. Automot. Technol. PD AUG 1 PY 2012 VL 13 IS 5 BP 713 EP 724 DI 10.1007/s12239-012-0070-z PG 12 WC Engineering, Mechanical; Transportation Science & Technology SC Engineering; Transportation GA 980FW UT WOS:000306880000003 ER PT J AU Kern, VJ Kern, JW Theriot, JA Schneewind, O Missiakas, D AF Kern, Valerie J. Kern, Justin W. Theriot, Julie A. Schneewind, Olaf Missiakas, Dominique TI Surface-Layer (S-Layer) Proteins Sap and EA1 Govern the Binding of the S-Layer-Associated Protein BslO at the Cell Septa of Bacillus anthracis SO JOURNAL OF BACTERIOLOGY LA English DT Article ID WALL POLYSACCHARIDE; FLOW-CYTOMETRY; CHAIN-LENGTH; DOMAIN; SECRETION; BACTERIA; CAPSULE AB The Gram-positive pathogen Bacillus anthracis contains 24 genes whose products harbor the structurally conserved surface-layer (S-layer) homology (SLH) domain. Proteins endowed with the SLH domain associate with the secondary cell wall polysaccharide (SCWP) following secretion. Two such proteins, Sap and EA1, have the unique ability to self-assemble into a paracrystalline layer on the surface of bacilli and form S layers. Other SLH domain proteins can also be found within the S layer and have been designated (B) under bar acillus (S) under bar-(l) under bar ayer-associated protein (BSLs). While both S-layer proteins and BSLs bind the same SCWP, their deposition on the cell surface is not random. For example, BslO is targeted to septal peptidoglycan zones, where it catalyzes the separation of daughter cells. Here we show that an insertional lesion in the sap structural gene results in elongated chains of bacilli, as observed with a bslO mutant. The chain length of the sap mutant can be reduced by the addition of purified BslO in the culture medium. This complementation in trans can be explained by an increased deposition of BslO onto the surface of sap mutant bacilli that extends beyond chain septa. Using fluorescence microscopy, we observed that the Sap S layer does not overlap the EA1 S layer and slowly yields to the EA1 S layer in a growth-phase-dependent manner. Although present all over bacilli, Sap S-layer patches are not observed at septa. Thus, we propose that the dynamic Sap/EA1 S-layer coverage of the envelope restricts the deposition of BslO to the SCWP at septal rings. C1 [Kern, Valerie J.; Schneewind, Olaf; Missiakas, Dominique] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. [Kern, Valerie J.; Theriot, Julie A.] Stanford Univ, Dept Biochem, Stanford, CA 94305 USA. [Kern, Justin W.] Stanford Univ, Dept Dev Biol, Stanford, CA 94305 USA. [Schneewind, Olaf; Missiakas, Dominique] Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA. RP Missiakas, D (reprint author), Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. EM dmissiak@bsd.uchicago.edu FU National Institute of Allergy and Infectious Diseases (NIAID) [AI69227]; biodefense training grant [AI065382]; molecular cell biology training grant [GM007183]; Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE) (NIAID) [1-U54-AI-057153] FX This work was supported by a grant from the National Institute of Allergy and Infectious Diseases (NIAID) Infectious Diseases Branch (AI69227) to D.M. and O.S. V.J.K. and J.W.K. acknowledge support from a biodefense training grant in host-pathogen interactions (AI065382) and a molecular cell biology training grant (GM007183), respectively. We acknowledge membership within and support from the Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE) (NIAID award 1-U54-AI-057153). NR 33 TC 20 Z9 20 U1 0 U2 8 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2012 VL 194 IS 15 BP 3833 EP 3840 DI 10.1128/JB.00402-12 PG 8 WC Microbiology SC Microbiology GA 977CP UT WOS:000306634300008 PM 22609927 ER PT J AU Nguyen-Mau, SM Oh, SY Kern, VJ Missiakas, DM Schneewind, O AF Sao-Mai Nguyen-Mau Oh, So-Young Kern, Valerie J. Missiakas, Dominique M. Schneewind, Olaf TI Secretion Genes as Determinants of Bacillus anthracis Chain Length SO JOURNAL OF BACTERIOLOGY LA English DT Article ID ACCESSORY SEC SYSTEM; SIGNAL RECOGNITION PARTICLE; CELL-WALL POLYSACCHARIDE; ESCHERICHIA-COLI; S-LAYER; STREPTOCOCCUS-GORDONII; SUPEROXIDE-DISMUTASE; PROTECTIVE ANTIGEN; PROTEIN SECRETION; GENOME SEQUENCE AB Bacillus anthracis grows in chains of rod-shaped cells, a trait that contributes to its escape from phagocytic clearance in host tissues. Using a genetic approach to search for determinants of B. anthracis chain length, we identified mutants with insertional lesions in secA2. All isolated secA2 mutants exhibited an exaggerated chain length, whereas the dimensions of individual cells were not changed. Complementation studies revealed that slaP ((S) under bar-(l) under bar ayer (a) under bar ssembly protein), a gene immediately downstream of secA2 on the B. anthracis chromosome, is also a determinant of chain length. Both secA2 and slaP are required for the efficient secretion of Sap and EA1 (Eag), the two S-layer proteins of B. anthracis, but not for the secretion of S-layer-associated proteins or of other secreted products. S-layer assembly via secA2 and slaP contributes to the proper positioning of BslO, the S-layer-associated protein, and murein hydrolase, which cleaves septal peptidoglycan to separate chains of bacilli. SlaP was found to be both soluble in the bacterial cytoplasm and associated with the membrane. The purification of soluble SlaP from B. anthracis-cleared lysates did not reveal a specific ligand, and the membrane association of SlaP was not dependent on SecA2, Sap, or EA1. We propose that SecA2 and SlaP promote the efficient secretion of S-layer proteins by modifying the general secretory pathway of B. anthracis to transport large amounts of Sap and EA1. C1 [Sao-Mai Nguyen-Mau; Oh, So-Young; Missiakas, Dominique M.; Schneewind, Olaf] Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA. [Sao-Mai Nguyen-Mau; Oh, So-Young; Kern, Valerie J.; Missiakas, Dominique M.; Schneewind, Olaf] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. RP Schneewind, O (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM oschnee@bsd.uchicago.edu FU National Institute of Allergy and Infectious Diseases (NIAID) [AI069227]; NIH [GM007183, AI065382]; Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE) (National Institute of Allergy and Infectious Diseases) [1-U54-AI-057153] FX This work has been supported by National Institute of Allergy and Infectious Diseases (NIAID) Infectious Disease Branch grant AI069227 to O.S. and D.M.M. S.-M.N.-M. and V.J.K. received support from NIH training grants GM007183 (molecular cell biology) and AI065382 (host-pathogen interactions). We acknowledge membership within and support from the Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE) (National Institute of Allergy and Infectious Diseases award 1-U54-AI-057153). NR 68 TC 18 Z9 18 U1 0 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2012 VL 194 IS 15 BP 3841 EP 3850 DI 10.1128/JB.00384-12 PG 10 WC Microbiology SC Microbiology GA 977CP UT WOS:000306634300009 PM 22609926 ER PT J AU Blumer-Schuette, SE Giannone, RJ Zurawski, JV Ozdemir, I Ma, Q Yin, YB Xu, Y Kataeva, I Poole, FL Adams, MWW Hamilton-Brehm, SD Elkins, JG Larimer, FW Land, ML Hauser, LJ Cottingham, RW Hettich, RL Kelly, RM AF Blumer-Schuette, Sara E. Giannone, Richard J. Zurawski, Jeffrey V. Ozdemir, Inci Ma, Qin Yin, Yanbin Xu, Ying Kataeva, Irina Poole, Farris L., II Adams, Michael W. W. Hamilton-Brehm, Scott D. Elkins, James G. Larimer, Frank W. Land, Miriam L. Hauser, Loren J. Cottingham, Robert W. Hettich, Robert L. Kelly, Robert M. TI Caldicellulosiruptor Core and Pangenomes Reveal Determinants for Noncellulosomal Thermophilic Deconstruction of Plant Biomass SO JOURNAL OF BACTERIOLOGY LA English DT Article ID TRICHODERMA-REESEI CELLULASE; FREE QUANTITATIVE PROTEOMICS; GENOME SEQUENCE; SP-NOV; CALDOCELLUM-SACCHAROLYTICUM; CLOSTRIDIUM-ACETOBUTYLICUM; ANAEROBIC BACTERIUM; CELLULOLYTIC BACTERIUM; PROTEIN DATABASE; SIGNAL PEPTIDES AB Extremely thermophilic bacteria of the genus Caldicellulosiruptor utilize carbohydrate components of plant cell walls, including cellulose and hemicellulose, facilitated by a diverse set of glycoside hydrolases (GHs). From a biofuel perspective, this capability is crucial for deconstruction of plant biomass into fermentable sugars. While all species from the genus grow on xylan and acid-pretreated switchgrass, growth on crystalline cellulose is variable. The basis for this variability was examined using microbiological, genomic, and proteomic analyses of eight globally diverse Caldicellulosiruptor species. The open Caldicellulosiruptor pangenome (4,009 open reading frames [ORFs]) encodes 106 GHs, representing 43 GH families, but only 26 GHs from 17 families are included in the core (noncellulosic) genome (1,543 ORFs). Differentiating the strongly cellulolytic Caldicellulosiruptor species from the others is a specific genomic locus that encodes multidomain cellulases from GH families 9 and 48, which are associated with cellulose-binding modules. This locus also encodes a novel adhesin associated with type IV pili, which was identified in the exoproteome bound to crystalline cellulose. Taking into account the core genomes, pangenomes, and individual genomes, the ancestral Caldicellulosiruptor was likely cellulolytic and evolved, in some cases, into species that lost the ability to degrade crystalline cellulose while maintaining the capacity to hydrolyze amorphous cellulose and hemicellulose. C1 [Blumer-Schuette, Sara E.; Zurawski, Jeffrey V.; Ozdemir, Inci; Kelly, Robert M.] N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. [Giannone, Richard J.; Hamilton-Brehm, Scott D.; Elkins, James G.; Larimer, Frank W.; Land, Miriam L.; Hauser, Loren J.; Cottingham, Robert W.; Hettich, Robert L.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Ma, Qin; Yin, Yanbin; Xu, Ying; Kataeva, Irina; Poole, Farris L., II; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Blumer-Schuette, Sara E.; Giannone, Richard J.; Zurawski, Jeffrey V.; Ozdemir, Inci; Ma, Qin; Yin, Yanbin; Xu, Ying; Kataeva, Irina; Poole, Farris L., II; Adams, Michael W. W.; Hamilton-Brehm, Scott D.; Elkins, James G.; Land, Miriam L.; Hauser, Loren J.; Cottingham, Robert W.; Hettich, Robert L.; Kelly, Robert M.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Kelly, RM (reprint author), N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. EM rmkelly@eos.ncsu.edu RI Hauser, Loren/H-3881-2012; Yin, Yanbin/C-9788-2010; Ma, Qin/O-1525-2013; Land, Miriam/A-6200-2011; Elkins, James/A-6199-2011; Hettich, Robert/N-1458-2016; OI Yin, Yanbin/0000-0001-7667-881X; Ma, Qin/0000-0002-3264-8392; Land, Miriam/0000-0001-7102-0031; Elkins, James/0000-0002-8052-5688; Hettich, Robert/0000-0001-7708-786X; Blumer-Schuette, Sara/0000-0001-9522-4266 FU Bioenergy Science Center (BESC), Oak Ridge National Laboratory, a U.S. Department of Energy Bioenergy Research Center; Office of Biological and Environmental Research in the DOE Office of Science [DE-PS02-06ER64304, DOE 4000063512] FX This work was supported by the Bioenergy Science Center (BESC), Oak Ridge National Laboratory, a U.S. Department of Energy Bioenergy Research Center funded by the Office of Biological and Environmental Research in the DOE Office of Science (contract no. DE-PS02-06ER64304 [DOE 4000063512]). NR 101 TC 37 Z9 41 U1 4 U2 30 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2012 VL 194 IS 15 BP 4015 EP 4028 DI 10.1128/JB.00266-12 PG 14 WC Microbiology SC Microbiology GA 977CP UT WOS:000306634300026 PM 22636774 ER PT J AU Dube, S Glatzer, J Somalwar, S Sood, A Thomas, S AF Dube, S. Glatzer, J. Somalwar, S. Sood, A. Thomas, S. TI Addressing the multi-channel inverse problem at high energy colliders: a model-independent approach to the search for new physics with trileptons SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID FERMILAB TEVATRON COLLIDER; NEUTRALINOS; CHARGINOS AB We describe a method for interpreting trilepton searches at high energy colliders in a model-independent fashion and apply it to the recent searches at the Tevatron. The key step is to recognize that the trilepton signature is comprised of four experimentally very different channels defined by the number of tau leptons in the trilepton state. Contributions from these multiple channels to the overall experimental sensitivity (cross-section times branching ratio) are model-independent and can be parametrized in terms of relevant new particle masses. Given the trileptonic branching ratios of a specific model, these experimentally obtained multi-channel sensitivities can be combined to obtain a cross-section measurement that can be used to confront the model with data. Our model-independent results are more widely applicable than the current Tevatron trilepton results which are stated exclusively in terms of mSUGRA parameters of supersymmetry. The technique presented here can be expanded beyond trilepton searches to the more general 'inverse problem' of experimentally discriminating between competing models that seek to explain new physics discovered in multiple channels. C1 [Dube, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Glatzer, J.] Univ Freiburg, Fak Math & Phys, D-79106 Freiburg, Germany. [Somalwar, S.; Thomas, S.] Rutgers State Univ, New Brunswick, NJ 08903 USA. RP Dube, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM sdube@lbl.gov FU NSF [PHY-0650059]; DOE [DE-FG02-96ER40959] FX We thank Amit Lath and Matt Strassler of Rutgers University and our CDF collaborators, especially Ben Brau, Monica D'Onofrio, Chris Hays, Mark Neubauer and Dave Toback. ST thanks the Institute for Advanced Study for its hospitality. The work was supported in part by NSF grant PHY-0650059 and DOE grant DE-FG02-96ER40959. The authors are responsible for the contents of this paper and the methodology or interpretation expressed in this paper are not endorsed by the CDF collaboration. NR 15 TC 6 Z9 6 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD AUG PY 2012 VL 39 IS 8 AR 085004 DI 10.1088/0954-3899/39/8/085004 PG 14 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 979FF UT WOS:000306800700006 ER PT J AU Holt, JD Otsuka, T Schwenk, A Suzuki, T AF Holt, Jason D. Otsuka, Takaharu Schwenk, Achim Suzuki, Toshio TI Three-body forces and shell structure in calcium isotopes SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID MODEL AB Understanding and predicting the formation of shell structure from nuclear forces is a central challenge for nuclear physics. While the magic numbers N = 2, 8, 20 are generally well understood, N = 28 is the first standard magic number that is not reproduced in microscopic theories with two-nucleon forces. In this paper, we show that three-nucleon forces give rise to repulsive interactions between two valence neutrons that are key to explain Ca-48 as a magic nucleus, with a high 2(+) excitation energy and a concentrated magnetic dipole transition strength. The repulsive three-nucleon mechanism improves the agreement with experimental binding energies. C1 [Holt, Jason D.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Holt, Jason D.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Otsuka, Takaharu] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Otsuka, Takaharu] Univ Tokyo, Ctr Nucl Study, Tokyo 1130033, Japan. [Otsuka, Takaharu] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Schwenk, Achim] GSI Helmholtzzentrum Schwerionenforsch GmbH, ExtreMe Matter Inst EMMI, D-64291 Darmstadt, Germany. [Schwenk, Achim] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Suzuki, Toshio] Nihon Univ, Dept Phys, Tokyo 1568550, Japan. RP Holt, JD (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM jholt31@utk.edu; otsuka@phys.s.u-tokyo.ac.jp; schwenk@physik.tu-darmstadt.de; suzuki@phys.chs.nihon-u.ac.jp RI OTSUKA, TAKAHARU/G-5072-2014; OI Holt, Jason/0000-0003-4833-7959 FU US DOE [DE-FC02-07ER41457, DE-FG02-06ER4140]; JSPS; Helmholtz Association [HA216/EMMI]; [20244 022]; [22540 290] FX This work was supported by the US DOE grant DE-FC02-07ER41457 (UNEDF SciDAC Collaboration) and DE-FG02-06ER41407 (JUSTIPEN), by grants-in-aid for Scientific Research (A) 20244 022 and (C) 22540 290, the JSPS Core-to-Core program EFES, and the Alliance Program of the Helmholtz Association (HA216/EMMI). Part of the numerical calculations have been performed on Kraken at NICS, UT/ORNL, and at the JSC, Julich. NR 27 TC 105 Z9 105 U1 0 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 EI 1361-6471 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD AUG PY 2012 VL 39 IS 8 AR 085111 DI 10.1088/0954-3899/39/8/085111 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 979FF UT WOS:000306800700024 ER PT J AU Yazzie, KE Williams, JJ Phillips, NC De Carlo, F Chawla, N AF Yazzie, K. E. Williams, J. J. Phillips, N. C. De Carlo, F. Chawla, N. TI Multiscale microstructural characterization of Sn-rich alloys by three dimensional (3D) X-ray synchrotron tomography and focused ion beam (FIB) tomography SO MATERIALS CHARACTERIZATION LA English DT Article DE 3D materials science; X-ray tomography; Focused ion beam tomography; Pb-free solder ID PB-FREE SOLDERS; INTERMEDIATE STRAIN RATES; DEFORMATION-BEHAVIOR; CREEP-BEHAVIOR; COOLING RATE; INTERMETALLICS; VISUALIZATION; JOINTS AB Sn-rich (Pb-free) alloys serve as electrical and mechanical interconnects in electronic packaging. It is critical to quantify the microstructures of Sn-rich alloys to obtain a fundamental understanding of their properties. In this work, the intermetallic precipitates in Sn-3.5Ag and Sn-0.7Cu, and globular lamellae in Sn-37Pb solder joints were visualized and quantified using 3D X-ray synchrotron tomography and focused ion beam (FIB) tomography. 3D reconstructions were analyzed to extract statistics on particle size and spatial distribution. In the Sn-Pb alloy the interconnectivity of Sn-rich and Pb-rich constituents was quantified. It will be shown that multiscale characterization using 3D X-ray and FIB tomography enabled the characterization of the complex morphology, distribution, and statistics of precipitates and contiguous phases cver a range of length scales. (C) 2012 Elsevier Inc. All rights reserved. C1 [Yazzie, K. E.; Williams, J. J.; Phillips, N. C.; Chawla, N.] Arizona State Univ, SEMTE, Tempe, AZ 85287 USA. [De Carlo, F.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chawla, N (reprint author), Arizona State Univ, SEMTE, Tempe, AZ 85287 USA. EM nchawla@asu.edu RI Chawla, Nikhilesh/A-3433-2008 OI Chawla, Nikhilesh/0000-0002-4478-8552 FU National Science Foundation Division of Materials Research-Metals Division FX The authors are grateful for the financial support for this work from the National Science Foundation Division of Materials Research-Metals Division (Drs. Alan Ardell, Bruce MacDonald, and Harsh Chopra, Program Directors). The authors gratefully acknowledge the use of facilities within the Center for Solid State Science at Arizona State University. NR 29 TC 19 Z9 19 U1 3 U2 17 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 J9 MATER CHARACT JI Mater. Charact. PD AUG PY 2012 VL 70 BP 33 EP 41 DI 10.1016/j.matchar.2012.05.004 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA 978SL UT WOS:000306766000006 ER PT J AU Shinar, J AF Shinar, Joseph TI ORGANIC ELECTRONICS Organic thin-film magnetometers SO NATURE MATERIALS LA English DT News Item AB Magnetometry usually requires large probes and bulky instrumentation. Organic diodes have now been used in small probes that can measure moderate magnetic fields with 10 ppm precision. C1 [Shinar, Joseph] US DOE, Ames Lab, Ames, IA 50011 USA. [Shinar, Joseph] Iowa State Univ, Ames, IA 50011 USA. RP Shinar, J (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM shinar@ameslab.gov NR 7 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 1476-1122 J9 NAT MATER JI Nat. Mater. PD AUG PY 2012 VL 11 IS 8 BP 663 EP 664 DI 10.1038/nmat3390 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 977VT UT WOS:000306693600010 PM 22825019 ER PT J AU Polking, MJ Han, MG Yourdkhani, A Petkov, V Kisielowski, CF Volkov, VV Zhu, YM Caruntu, G Alivisatos, AP Ramesh, R AF Polking, Mark J. Han, Myung-Geun Yourdkhani, Amin Petkov, Valeri Kisielowski, Christian F. Volkov, Vyacheslav V. Zhu, Yimei Caruntu, Gabriel Alivisatos, A. Paul Ramesh, Ramamoorthy TI Ferroelectric order in individual nanometre-scale crystals SO NATURE MATERIALS LA English DT Article ID X-RAY-DIFFRACTION; PHASE-TRANSITION; ELECTRON HOLOGRAPHY; BARIUM-TITANATE; GETE FILMS; THIN-FILMS; BATIO3; DOMAINS; NANOCRYSTALS; MICROSCOPY AB Ferroelectricity in finite-dimensional systems continues to arouse interest, motivated by predictions of vortex polarization states and the utility of ferroelectric nanomaterials in memory devices, actuators and other applications. Critical to these areas of research are the nanoscale polarization structure and scaling limit of ferroelectric order, which are determined here in individual nanocrystals comprising a single ferroelectric domain. Maps of ferroelectric structural distortions obtained from aberration-corrected transmission electron microscopy, combined with holographic polarization imaging, indicate the persistence of a linearly ordered and monodomain polarization state at nanometre dimensions. Room-temperature polarization switching is demonstrated down to similar to 5 nm dimensions. Ferroelectric coherence is facilitated in part by control of particle morphology, which along with electrostatic boundary conditions is found to determine the spatial extent of cooperative ferroelectric distortions. This work points the way to multi-Tbit/in(2) memories and provides a glimpse of the structural and electrical manifestations of ferroelectricity down to its ultimate limits. C1 [Alivisatos, A. Paul; Ramesh, Ramamoorthy] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Polking, Mark J.; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Han, Myung-Geun; Volkov, Vyacheslav V.; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Yourdkhani, Amin; Caruntu, Gabriel] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA. [Yourdkhani, Amin; Caruntu, Gabriel] Univ New Orleans, Adv Mat Res Inst, New Orleans, LA 70148 USA. [Petkov, Valeri] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. [Kisielowski, Christian F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM APAlivisatos@lbl.gov; rramesh@berkeley.edu RI Volkov, Vyacheslav/D-9786-2016; Alivisatos , Paul /N-8863-2015 OI Alivisatos , Paul /0000-0001-6895-9048 FU US Department of Energy, Division of Materials Sciences and Division of Chemical Sciences [DE-AC02-05CH11231, DE-AC02-98CH10886]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-06CH11357]; National Science Foundation [NSF-MSN CAREER-1157300, EPS-1003897, NSF-DMR-1004869]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank Shiva Adireddy for the synthesis of the BaTiO3 nanomaterials used in this manuscript; P. Ercius, T. Duden, Y. Ren and A. Gautam for technical assistance and helpful discussions; and H. Park for critical feedback on the manuscript. In addition, the authors gratefully acknowledge M. R. McCartney for providing scripts for the analysis of the holographic images. Access to the electron microscopy facility at the Center for Functional Nanomaterials, Brookhaven National Laboratory, is acknowledged. Work at the National Center for Electron Microscopy was supported by the US Department of Energy, Division of Materials Sciences and Division of Chemical Sciences, under contract no. DE-AC02-05CH11231. Electron holography experiments at Brookhaven National Laboratory were supported by the US Department of Energy, Division of Materials Sciences and Division of Chemical Sciences, under contract no. DE-AC02-98CH10886 and were carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory. Synchrotron X-ray diffraction measurements at the Advanced Photon Source were supported by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract DE-AC02-06CH11357. Work on piezoresponse force measurements and synthesis of BaTiO3 nanostructures was supported by the National Science Foundation through grants no. NSF-MSN CAREER-1157300, no. EPS-1003897 and no. NSF-DMR-1004869. All other work was supported by the Physical Chemistry of Nanocrystals Project of the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy under contract no. DE-AC02-05CH11231. M.J.P. was supported by a National Science Foundation Graduate Research Fellowship and by a National Science Foundation Integrative Graduate Education and Research Traineeship fellowship. NR 50 TC 103 Z9 103 U1 13 U2 295 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 J9 NAT MATER JI Nat. Mater. PD AUG PY 2012 VL 11 IS 8 BP 700 EP 709 DI 10.1038/nmat3371 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 977VT UT WOS:000306693600019 PM 22772655 ER PT J AU Sadowski, JT AF Sadowski, Jerzy T. TI Pentacene growth on 3-aminopropyltrimethoxysilane modified silicon dioxide SO OPTICAL MATERIALS LA English DT Article DE Organic thin films; Organic electronic devices; Self-assembled monolayers; Pentacene; LEEM; AFM ID THIN-FILM TRANSISTORS; FIELD-EFFECT TRANSISTORS; MOBILITY AB The 3-aminopropyltrimethoxysilane (APTMS) self-assembled monolayer (SAM) has been used as a buffer layer between a dielectric (native SiO2) and the pentacene (Pn) thin film. Based on in situ low-energy electron microscope (LEEM) and ex-situ noncontact atomic force microscope (nc-AFM) measurements, it is shown that passivation of SiO2 with APTMS significantly improves the morphology of pentacene films. The observed lower nucleation density of Pn islands on the APTMS-treated surface results in improved crystallinity of the Pn layer. Moreover, the de-wetting of Pn monolayer is prevented by the interfacial APTMS SAM. This has significant potential for the improvement of the FET carrier mobility in Pn-based electronic devices. (C) 2012 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sadowski, JT (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM sadowski@bnl.gov OI Sadowski, Jerzy/0000-0002-4365-7796 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Research carried out at the Center for Functional Nanomaterials and National Synchrotron Light Source, Brookhaven National Laboratory, which are supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 21 TC 5 Z9 5 U1 5 U2 40 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0925-3467 J9 OPT MATER JI Opt. Mater. PD AUG PY 2012 VL 34 IS 10 SI SI BP 1635 EP 1638 DI 10.1016/j.optmat.2012.03.032 PG 4 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA 976WU UT WOS:000306618900004 ER PT J AU Rexach, M Phillips, J Krishnan, K Newsam, S Goinathan, A Lau, E Colvin, M Uversky, V Yamada, J AF Rexach, Michael Phillips, Joshua Krishnan, Krish Newsam, Shawn Goinathan, Ajay Lau, Edmond Colvin, Michael Uversky, Vladimir Yamada, Justin TI Sorting with Disorder at Nuclear Pores SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Rexach, Michael; Yamada, Justin] UC Santa Cruz, MCD Biol, Merced, CA USA. [Phillips, Joshua; Newsam, Shawn] UC Merced, Sch Engn, Merced, CA USA. [Krishnan, Krish] Univ Calif Davis, Davis, CA USA. [Lau, Edmond] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA USA. [Goinathan, Ajay; Colvin, Michael] UC Merced, Sch Nat Sci, Merced, CA USA. [Uversky, Vladimir] Indiana Univ, Bloomington, IN USA. [Krishnan, Krish] Fresno State, Chem, Merced, CA USA. RI Uversky, Vladimir/F-4515-2011 OI Uversky, Vladimir/0000-0002-4037-5857 NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 54 EP 54 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800004 ER PT J AU He, W Saldana, M Gellner, C Li, YP Takanishi, C Lam, K Carraway, K Henderson, P Coleman, M AF He, Wei Saldana, Matthew Gellner, Candice Li, Yuanpei Takanishi, Christina Lam, Kit Carraway, Kermit Henderson, Paul Coleman, Matthew TI Cell-free generation and biochemical characterization of functional ErbB2 and EGFR supported by nanolipoprotein particle SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [He, Wei; Saldana, Matthew; Li, Yuanpei; Takanishi, Christina; Lam, Kit; Carraway, Kermit; Henderson, Paul; Coleman, Matthew] Univ Calif Davis, Sacramento, CA 95817 USA. [He, Wei; Gellner, Candice; Carraway, Kermit; Henderson, Paul] NSF Ctr Biophoton Sci & Technol, Sacramento, CA USA. [Gellner, Candice] Calif State Univ Sacramento, Sacramento, CA 95819 USA. [Coleman, Matthew] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 125 EP 126 PG 2 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800185 ER PT J AU Thompson, M Cascio, D Jorda, J Crowley, C Kopstein, J Whitelegge, J McNamara, D Yeates, T AF Thompson, Michael Cascio, Duilio Jorda, Julien Crowley, Christopher Kopstein, Jeffrey Whitelegge, Julian McNamara, Dan Yeates, Todd TI The Protein Shell of the Ethanolamine Utilization Microcompartment is a Redox-Sensitive Barrier SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Crowley, Christopher; Yeates, Todd] Univ Calif Los Angeles, Mol Biol Inst, Los Angeles, CA 90034 USA. [Thompson, Michael; Cascio, Duilio; Jorda, Julien; Kopstein, Jeffrey; McNamara, Dan; Yeates, Todd] Univ Calif Los Angeles, DOE Inst Genom & Prote, Los Angeles, CA USA. [Cascio, Duilio] Univ Calif Los Angeles, Howard Hughes Med Inst, Los Angeles, CA 90024 USA. [Whitelegge, Julian] Univ Calif Los Angeles, Neuropsychiat Inst NPI, Los Angeles, CA USA. [Whitelegge, Julian] Univ Calif Los Angeles, Semel Inst Neurosci & Human Behav, Los Angeles, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 125 EP 125 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800183 ER PT J AU Bourguet, F Hunter, M Gao, TJ He, W Kohlgruber, A Benner, H Huser, T Voss, J Segelke, B Frank, M Coleman, M AF Bourguet, Feliza Hunter, Mark Gao, Tingjuan He, Wei Kohlgruber, Ayano Benner, Henry Huser, Thomas Voss, John Segelke, Brent Frank, Matthias Coleman, Matthew TI Membrane Protein Expression using Cell-Free Technologies in Support of Structural Biology SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Bourguet, Feliza; Hunter, Mark; Kohlgruber, Ayano; Benner, Henry; Segelke, Brent; Frank, Matthias; Coleman, Matthew] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA 94551 USA. [Gao, Tingjuan; He, Wei; Huser, Thomas] Univ Calif Davis, NSF CBST, Sacramento, CA 95817 USA. [Voss, John] Univ Calif Davis, Dept Biochem & Mol Med, Davis, CA 95616 USA. RI Huser, Thomas/H-1195-2012; Frank, Matthias/O-9055-2014 OI Huser, Thomas/0000-0003-2348-7416; NR 0 TC 0 Z9 0 U1 1 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 150 EP 150 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800244 ER PT J AU Jorda, J Lopez, D Yeates, T AF Jorda, Julien Lopez, David Yeates, Todd TI Using genomic data to uncover bacterial microcompartment organelles with novel metabolic functions SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Jorda, Julien; Lopez, David; Yeates, Todd] Univ Calif Los Angeles, DOE MBI, Los Angeles, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 166 EP 166 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800286 ER PT J AU Bigelow, D Chen, BW Brown, R Squier, T AF Bigelow, Diana Chen, Baowei Brown, Roslyn Squier, Thomas TI Reversible Methionine Sulfoxide Formation in Periplasmic Fumarate Reductase of Shewanella oneidensis Acts to Facilitate Anaerobic-Aerobic Metabolic Switching Without Oxidative Damage SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Bigelow, Diana; Chen, Baowei; Brown, Roslyn; Squier, Thomas] Pacific NW Natl Lab, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 172 EP 172 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800301 ER PT J AU Batra, J Soares, A Radisky, E AF Batra, Jyotica Soares, Alexei Radisky, Evette TI Stromelysins MMP-3 and MMP-10 and their inhibition by TIMPs: crystal structures and binding studies SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Batra, Jyotica; Radisky, Evette] Mayo Clin, Ctr Canc, Dept Canc Biol, Jacksonville, FL 32224 USA. [Soares, Alexei] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RI Radisky, Evette/C-8526-2012; Soares, Alexei/F-4800-2014 OI Radisky, Evette/0000-0003-3121-109X; NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 174 EP 175 PG 2 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800307 ER PT J AU Michalska, K Chang, C Mack, J Zerbs, S Joachimiak, A Collart, F AF Michalska, Karolina Chang, Changsoo Mack, Jamey Zerbs, Sarah Joachimiak, Andrzej Collart, Frank TI Recognition of lignin degradation products by ABC transporters SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Michalska, Karolina; Chang, Changsoo; Mack, Jamey; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Michalska, Karolina; Chang, Changsoo; Mack, Jamey; Zerbs, Sarah; Joachimiak, Andrzej; Collart, Frank] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Chang, Changsoo; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 5 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 175 EP 176 PG 2 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800309 ER PT J AU Gabanyi, M Westbrook, J Tao, YP Shah, R Chen, L Micallef, D Schwede, T Haas, J Bordoli, L McLaughlin, W Julfayev, E Adams, P Gifford, L Minor, W Zimmerman, M Fratczak, Z Berman, H AF Gabanyi, Margaret Westbrook, John Tao, Yi-Ping Shah, Raship Chen, Li Micallef, David Schwede, Torsten Haas, Juergen Bordoli, Lorenza McLaughlin, William Julfayev, Elchin Adams, Paul Gifford, Lida Minor, Wladek Zimmerman, Matthew Fratczak, Zbigniew Berman, Helen TI The PSI Structural Biology Knowledgebase: New Ways to Enable Your Biological Research SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Gabanyi, Margaret; Westbrook, John; Tao, Yi-Ping; Shah, Raship; Chen, Li; Micallef, David; Berman, Helen] Rutgers State Univ, Ctr Integrat Prote Res, Piscataway, NJ 08854 USA. [Schwede, Torsten; Haas, Juergen; Bordoli, Lorenza] Univ Basel, Swiss Inst BioInformat, Basel, Switzerland. [McLaughlin, William; Julfayev, Elchin] Commonwealth Med Coll, Scranton, PA USA. [Adams, Paul; Gifford, Lida] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Minor, Wladek; Zimmerman, Matthew; Fratczak, Zbigniew] Univ Virginia, Sch Med, Charlottesville, VA 22908 USA. RI Schwede, Torsten/A-4650-2008; Minor, Wladek/F-3096-2014 OI Schwede, Torsten/0000-0003-2715-335X; NR 0 TC 0 Z9 0 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 202 EP 202 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800371 ER PT J AU Tan, KM Zhou, M Zhang, RG Kwon, K Peterson, S Anderson, W Joachimiak, A AF Tan, Kemin Zhou, Min Zhang, Rongguang Kwon, Keehwan Peterson, Scott Anderson, Wayne Joachimiak, Andrzej TI The Crystal Structures of the alpha-Subunit of the alpha 2 beta 2 Tetrameric Glycyl-tRNA Synthetase SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Tan, Kemin; Zhou, Min; Zhang, Rongguang; Kwon, Keehwan; Peterson, Scott; Anderson, Wayne; Joachimiak, Andrzej] Ctr Struct Genom Infect Dis, Chicago, IL USA. [Tan, Kemin; Joachimiak, Andrzej] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Tan, Kemin; Zhou, Min; Zhang, Rongguang; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. [Kwon, Keehwan; Peterson, Scott] J Craig Venter Inst, Pathogen Funct Genom Resource Ctr, Rockville, MD USA. [Anderson, Wayne] Northwestern Univ, Chicago, IL 60611 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 208 EP 208 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800387 ER PT J AU Ansong, C Wu, S Merkley, E Baker, E Wright, A Nakayasu, E Brown, R Cort, J Pasa-Tolic, L Adkins, J AF Ansong, Charles Wu, Si Merkley, Eric Baker, Erin Wright, Aaron Nakayasu, Ernesto Brown, Roslyn Cort, John Pasa-Tolic, Ljiljana Adkins, Joshua TI Integrating high-throughput proteomics approaches for functional characterization of proteins SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Ansong, Charles; Merkley, Eric; Baker, Erin; Wright, Aaron; Nakayasu, Ernesto; Brown, Roslyn; Cort, John; Adkins, Joshua] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Wu, Si; Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RI Adkins, Joshua/B-9881-2013 OI Adkins, Joshua/0000-0003-0399-0700 NR 0 TC 0 Z9 0 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 217 EP 217 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800408 ER PT J AU Hunter, M Segelke, B Coleman, M Benner, WH Frank, M AF Hunter, Mark Segelke, Brent Coleman, Matthew Benner, W. Henry Frank, Matthias TI Protein crystallography using X-ray free-electron lasers SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Hunter, Mark; Frank, Matthias] Lawrence Livermore Natl Lab, Div Phys, Phys & Life Sci Directorate, Livermore, CA USA. [Segelke, Brent; Coleman, Matthew; Benner, W. Henry] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA USA. [Coleman, Matthew] Univ Calif Davis, Davis, CA 95616 USA. RI Frank, Matthias/O-9055-2014 NR 0 TC 0 Z9 0 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 219 EP 220 PG 2 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800413 ER PT J AU Laurence, T Ly, S Bourguet, F Thai, S Kay, B Coleman, M AF Laurence, Ted Ly, Sonny Bourguet, Feliza Thai, Sang Kay, Brian Coleman, Matthew TI Using fluorescence cross-correlation spectroscopy for antibody characterization SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Laurence, Ted; Ly, Sonny; Bourguet, Feliza; Coleman, Matthew] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Thai, Sang; Kay, Brian] Univ Illinois, Dept Biol Sci, Chicago, IL 60680 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 221 EP 221 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800416 ER PT J AU Yu, E Turner, K Tran-Gyamfi, M Tran, H Strobel, G Taatjes, C Hadi, M AF Yu, Eizadora Turner, Kevin Tran-Gyamfi, Mary Huu Tran Strobel, Gary Taatjes, Craig Hadi, Masood TI Secretome analysis of endophytic fungi grown in minimally-treated lignocellulosic biomass feedstocks SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Yu, Eizadora; Turner, Kevin; Tran-Gyamfi, Mary; Huu Tran; Taatjes, Craig; Hadi, Masood] Sandia Natl Labs, Livermore, CA 94551 USA. [Strobel, Gary] Montana State Univ, Dept Plant Sci, Bozeman, MT 59717 USA. RI Yu, Eizadora/A-8971-2011 NR 0 TC 0 Z9 0 U1 0 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 221 EP 221 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800417 ER PT J AU Wu, RY Clancy, S Joachimiak, A AF Wu, Ruiying Clancy, Shonda Joachimiak, Andrzej TI Structures of Glutamate Decarboxylase from Sphaerobacter thermophilus in Complex with PLP and GABA at Atomic Resolution SO PROTEIN SCIENCE LA English DT Meeting Abstract CT 26th Annual Symposium of the Protein-Society CY AUG 05-08, 2012 CL San Diego, CA SP Prot Soc, Genentech, BioSilta, Aviv Biomed, Inc, Jasco, Purtein, Wyatt Technol Corp, Emerald Biosyst C1 [Wu, Ruiying; Clancy, Shonda; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 SU 1 SI SI BP 233 EP 233 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 982CR UT WOS:000307019800448 ER PT J AU Salameh, MA Soares, AS Alloy, A Radisky, ES AF Salameh, Moh'd A. Soares, Alexei S. Alloy, Alexandre Radisky, Evette S. TI Presence versus absence of hydrogen bond donor Tyr-39 influences interactions of cationic trypsin and mesotrypsin with protein protease inhibitors SO PROTEIN SCIENCE LA English DT Article DE peptidase; serine protease; proteolysis; protein protease inhibitor; Kunitz protease inhibitor domain; protein-protein binding interactions ID SITE PEPTIDE-BOND; SERINE PROTEASES; ACTIVATED RECEPTOR-1; STRUCTURAL BASIS; BRAIN TRYPSIN; KUNITZ; PANCREATITIS; SPECIFICITY; SUBSTRATE; CHYMOTRYPSIN AB Mesotrypsin displays unusual resistance to inhibition by polypeptide trypsin inhibitors and cleaves some such inhibitors as substrates, despite a high degree of conservation with other mammalian trypsins. Substitution of Arg for the generally conserved Gly-193 has been implicated as a critical determinant of the unusual behavior of mesotrypsin toward protein protease inhibitors. Another relatively conserved residue near the trypsin active site, Tyr-39, is substituted by Ser-39 in mesotrypsin. Tyr-39, but not Ser-39, forms a hydrogen bond with the main chain amide nitrogen of the P4' residue of a bound protease inhibitor. To investigate the role of the Tyr-39 H-bond in trypsin-inhibitor interactions, we reciprocally mutated position 39 in mesotrypsin and human cationic trypsin to Tyr-39 and Ser-39, respectively. We assessed inhibition constants and cleavage rates of canonical protease inhibitors bovine pancreatic trypsin inhibitor (BPTI) and the amyloid precursor protein Kunitz protease inhibitor domain by mesotrypsin and cationic trypsin variants, finding that the presence of Ser-39 relative to Tyr-39 results in a 4- to 13-fold poorer binding affinity and a 2- to 18-fold increase in cleavage rate. We also report the crystal structure of the mesotrypsin-S39YBPTI complex, in which we observe an H-bond between Tyr-39 OH and BPTI Ile-19 N. Our results indicate that the presence of Ser-39 in mesotrypsin, and corresponding absence of a single H-bond to the inhibitor backbone, makes a small but significant functional contribution to the resistance of mesotrypsin to inhibition and the ability of mesotrypsin to proteolyze inhibitors. C1 [Salameh, Moh'd A.; Alloy, Alexandre; Radisky, Evette S.] Mayo Clin, Dept Canc Biol, Ctr Canc, Jacksonville, FL 32224 USA. [Soares, Alexei S.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Radisky, ES (reprint author), 310 Griffin Bldg,4500 San Pablo Rd, Jacksonville, FL 32224 USA. EM radisky.evette@mayo.edu RI Radisky, Evette/C-8526-2012; Soares, Alexei/F-4800-2014 OI Radisky, Evette/0000-0003-3121-109X; Soares, Alexei/0000-0002-6565-8503 FU Florida Department of Health [07BN-07]; US Department of Defense [PC094054]; US National Cancer Institute [CA091956] FX Grant sponsor: Florida Department of Health; Grant number: 07BN-07; Grant sponsor: US Department of Defense; Grant number: PC094054; Grant sponsor: US National Cancer Institute; Grant number: CA091956. NR 42 TC 6 Z9 6 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2012 VL 21 IS 8 BP 1103 EP 1112 DI 10.1002/pro.2097 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 973LM UT WOS:000306361600002 PM 22610453 ER PT J AU Falcone, M Gold, AB Wileyto, EP Ray, R Ruparel, K Newberg, A Dubroff, J Logan, J Zubieta, JK Blendy, JA Lerman, C AF Falcone, Mary Gold, Allison B. Wileyto, E. Paul Ray, Riju Ruparel, Kosha Newberg, Andrew Dubroff, Jacob Logan, Jean Zubieta, Jon-Kar Blendy, Julie A. Lerman, Caryn TI mu-Opioid receptor availability in the amygdala is associated with smoking for negative affect relief SO PSYCHOPHARMACOLOGY LA English DT Article DE Smoking motivation; mu-Opioid receptor; Amygdala; Affect regulation ID NICOTINE REPLACEMENT THERAPY; HUMAN-BRAIN; NALTREXONE AUGMENTATION; BETA-ENDORPHIN; CLINICAL-TRIAL; BINDING; CESSATION; RESPONSES; MOOD; NEUROTRANSMISSION AB The perception that smoking relieves negative affect contributes to smoking persistence. Endogenous opioid neurotransmission, and the mu-opioid receptor (MOR) in particular, plays a role in affective regulation and is modulated by nicotine. We examined the relationship of MOR binding availability in the amygdala to the motivation to smoke for negative affect relief and to the acute effects of smoking on affective responses. Twenty-two smokers were scanned on two separate occasions after overnight abstinence using [C-11]carfentanil positron emission tomography imaging: after smoking a nicotine-containing cigarette and after smoking a denicotinized cigarette. Self-reports of smoking motives were collected at baseline, and measures of positive and negative affect were collected pre- and post- cigarette smoking. Higher MOR availability in the amygdala was associated with motivation to smoke to relieve negative affect. However, MOR availability was unrelated to changes in affect after smoking either cigarette. Increased MOR availability in amygdala may underlie the motivation to smoke for negative affective relief. These results are consistent with previous data highlighting the role of MOR neurotransmission in smoking behavior. C1 [Falcone, Mary; Gold, Allison B.; Wileyto, E. Paul; Ray, Riju; Lerman, Caryn] Univ Penn, Dept Psychiat, Ctr Interdisciplinary Res Nicotine Addict, Philadelphia, PA 19104 USA. [Falcone, Mary; Blendy, Julie A.] Univ Penn, Dept Pharmacol, Philadelphia, PA 19104 USA. [Ruparel, Kosha] Hosp Univ Penn, Dept Neuropsychiat, Brain Behav Lab, Philadelphia, PA 19104 USA. [Newberg, Andrew] Thomas Jefferson Univ, Dept Emergency Med & Radiol, Myrna Brind Ctr Integrat Med, Philadelphia, PA 19107 USA. [Dubroff, Jacob] Hosp Univ Penn, Dept Nucl Med, Philadelphia, PA 19104 USA. [Logan, Jean] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Zubieta, Jon-Kar] Univ Michigan, Mol & Behav Neurosci Inst, Ann Arbor, MI 48109 USA. RP Lerman, C (reprint author), Univ Penn, Dept Psychiat, Ctr Interdisciplinary Res Nicotine Addict, 3535 Market St,Suite 4100, Philadelphia, PA 19104 USA. EM clerman@upenn.edu OI Newberg, Andrew/0000-0001-8230-1752 FU National Institute on Drug Abuse [R21-DA027066, U01-DA020830]; National Cancer Institute [P50-CA143187]; Pennsylvania Department of Health; Pfizer; AstraZeneca; Novartis; GlaxoSmithKline FX We thank the following individuals for their contributions to the study: Dr. Richard Freifelder, Dr. Joel Karp, Dr. Alexander Schmitz, and Rahul Poria for [11C]carfentanil synthesis; Dr. Daniel Pryma and Dr. Rodolfo Perini for serving as PET center injectors; and Dr. Janet Reddin and PET center technologists for PET acquisition and preprocessing at the PET center. This research was supported by National Institute on Drug Abuse Grants R21-DA027066 (to C. L. and J.A.B.) and U01-DA020830 (to C. L.), National Cancer Institute Grant P50-CA143187 (to C. L. and J.A.B.), and a grant from the Pennsylvania Department of Health. C. L. has served as a consultant for and/or received research support from Pfizer, AstraZeneca, Novartis, and GlaxoSmithKline. R. R. has received research support from Pfizer. This research was not supported by industry funds. The authors declare that they have full control of all primary data and they agree to allow the journal to review their data if requested. NR 64 TC 2 Z9 2 U1 1 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0033-3158 J9 PSYCHOPHARMACOLOGY JI Psychopharmacology PD AUG PY 2012 VL 222 IS 4 BP 701 EP 708 DI 10.1007/s00213-012-2673-5 PG 8 WC Neurosciences; Pharmacology & Pharmacy; Psychiatry SC Neurosciences & Neurology; Pharmacology & Pharmacy; Psychiatry GA 979NQ UT WOS:000306827100012 PM 22389047 ER PT J AU Carpenter, JS Liu, X Darbal, A Nuhfer, NT McCabe, RJ Vogel, SC LeDonne, JE Rollett, AD Barmak, K Beyerlein, IJ Mara, NA AF Carpenter, J. S. Liu, X. Darbal, A. Nuhfer, N. T. McCabe, R. J. Vogel, S. C. LeDonne, J. E. Rollett, A. D. Barmak, K. Beyerlein, I. J. Mara, N. A. TI A comparison of texture results obtained using precession electron diffraction and neutron diffraction methods at diminishing length scales in ordered bimetallic nanolamellar composites SO SCRIPTA MATERIALIA LA English DT Article DE Transmission electron microscopy (TEM); Neutron diffraction; Nanocomposites; Multilayers; Metals and alloys ID CHANNEL ANGULAR EXTRUSION; NANOLAYERED COMPOSITES; MULTILAYER COMPOSITES; MECHANICAL-PROPERTIES; ROLLING TEXTURES; EVOLUTION; COPPER; MICROSTRUCTURE; ORIENTATION; STRENGTH AB Precession electron diffraction (PED) is used to acquire orientation information in Cu-Nb nanolamellar composites fabricated by accumulative roll bonding (ARB). The resulting maps quantify the grain size, shape, orientation distributions and interface planes in the vicinity of nanometer-thick deformation twins. The PED-based texture results compare favorably with bulk textures provided by neutron diffraction measurements, indicating uniformity in the ARB Cu-Nb texture. Additionally, {112}(Cu)parallel to{112}(Nb) interfaces are present, suggesting that ARB techniques can lead to stable interfaces with a special crystallography. (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Carpenter, J. S.; McCabe, R. J.; Vogel, S. C.; Beyerlein, I. J.; Mara, N. A.] Los Alamos Natl Lab, Los Alamos, NM USA. [Liu, X.; Darbal, A.; Nuhfer, N. T.; LeDonne, J. E.; Rollett, A. D.; Barmak, K.] Carnegie Mellon Univ, Mat Res Sci & Engn Ctr, Pittsburgh, PA 15213 USA. [Liu, X.; Darbal, A.; Nuhfer, N. T.; LeDonne, J. E.; Rollett, A. D.; Barmak, K.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Darbal, A.] NanoMEGAS USA, Tempe, AZ USA. [Barmak, K.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY USA. RP Carpenter, JS (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM carpenter@lanl.gov RI Barmak, Katayun/A-9804-2008; Lujan Center, LANL/G-4896-2012; Beyerlein, Irene/A-4676-2011; Mara, Nathan/J-4509-2014; Rollett, Anthony/A-4096-2012; OI Barmak, Katayun/0000-0003-0070-158X; Rollett, Anthony/0000-0003-4445-2191; McCabe, Rodney /0000-0002-6684-7410; Vogel, Sven C./0000-0003-2049-0361; Carpenter, John/0000-0001-8821-043X; Mara, Nathan/0000-0002-9135-4693 FU Semiconductor Research Corporation [2121.001]; MRSEC program of the NSF [DMR-0520425]; Los Alamos National Laboratory [DR20110029]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Energy Frontier Research Center (EFRC) [2008LANL1026]; Office of Basic Energy Sciences (DOE); DOE [DE AC52 06NA25396] FX The authors gratefully acknowledge funding from Semiconductor Research Corporation, Task number 2121.001 and MRSEC program of the NSF under DMR-0520425. Additional funding was supplied through Los Alamos National Laboratory Directed Research and Development Project DR20110029 and by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Energy Frontier Research Center (EFRC) under Award No. 2008LANL1026. This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Office of Basic Energy Sciences (DOE). Los Alamos National Laboratory is operated by Los Alamos National Security, LLC under DOE Contract DE AC52 06NA25396. NR 39 TC 35 Z9 35 U1 2 U2 34 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2012 VL 67 IS 4 BP 336 EP 339 DI 10.1016/j.scriptamat.2012.05.018 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 978DZ UT WOS:000306722100007 ER PT J AU Perez-Bergquist, AG Cerreta, EK Trujillo, CP Gray, GT Brandl, C Germann, TC AF Perez-Bergquist, A. G. Cerreta, E. K. Trujillo, C. P. Gray, G. T., III Brandl, C. Germann, T. C. TI Transmission electron microscopy study of the role of interface structure at 100/111 boundaries in a shocked copper multicrystal SO SCRIPTA MATERIALIA LA English DT Article DE Transmission electron microscopy; Shock compression; Interface structure; Copper ID GRAIN-SIZE; COMPRESSION; BICRYSTALS; DEFORMATION; MIGRATION; PRESSURE; CRYSTALS; BEHAVIOR; METALS; STRAIN AB While shock loading has long been used to investigate dynamic damage evolution in materials, the role of interface structure in the response of shock-loaded polycrystalline materials has largely been ignored. In this work, a specially fabricated multicrystalline Cu specimen is used to interrogate the role of interface structure on microstructural and substructural evolution in shock-loaded materials. Results show that, under shock, grain boundaries respond differently as a function of structure. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Perez-Bergquist, A. G.; Cerreta, E. K.; Trujillo, C. P.; Gray, G. T., III] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Brandl, C.; Germann, T. C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Perez-Bergquist, AG (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM alexpb@lanl.gov RI Brandl, Christian/C-6405-2009; Brandl, Christian/D-4013-2015; OI Brandl, Christian/0000-0003-1587-4678; Brandl, Christian/0000-0003-1587-4678; Germann, Timothy/0000-0002-6813-238X FU National Nuclear Security Administration of the US Department [DE-AC52-06NA25396]; Office of Basic Energy Sciences Energy Frontier Research Center for Materials at Irradiation and Mechanical Extremes (CMIME); DoD/DoE FX Los Alamos National Laboratory is operated by LANS, LLC, for the National Nuclear Security Administration of the US Department of under Contract DE-AC52-06NA25396. Work by A.P.B., E.K.C., C.B. and T.C.G. has been supported by the Office of Basic Energy Sciences Energy Frontier Research Center for Materials at Irradiation and Mechanical Extremes (CMIME). Work by C.P.T. and G.T.G. has been supported by the Joint DoD/DoE Munitions Technology Development Program. The authors wish to thank D. Byler for providing the samples. NR 27 TC 2 Z9 2 U1 1 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2012 VL 67 IS 4 BP 412 EP 415 DI 10.1016/j.scriptamat.2012.05.035 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 978DZ UT WOS:000306722100026 ER PT J AU Baelum, J Prestat, E David, MM Strobel, BW Jacobsen, CS AF Baelum, Jacob Prestat, Emmanuel David, Maude M. Strobel, Bjarne W. Jacobsen, Carsten S. TI Modeling of Phenoxy Acid Herbicide Mineralization and Growth of Microbial Degraders in 15 Soils Monitored by Quantitative Real-Time PCR of the Functional tfdA Gene SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID 2,4-DICHLOROPHENOXYACETIC ACID; 4-CHLORO-2-METHYLPHENOXYACETIC ACID; AGRICULTURAL SOIL; SUBSTRATE CONCENTRATION; 2,4-D DEGRADATION; MOISTURE-CONTENT; KINETICS; MCPA; DIOXYGENASE; MECOPROP AB Mineralization potentials, rates, and kinetics of the three phenoxy acid (PA) herbicides, 2,4-dichlorophenoxyacetic acid (2,4-D), 4-chloro-2-methylphenoxyacetic acid (MC:PA), and 2-(4-chloro-2-methylphenoxy)propanoic acid (MCPP), were investigated and compared in 15 soils collected from five continents. The mineralization patterns were fitted by zero/linear or exponential growth forms of the three-half-order models and by logarithmic (log), first-order, or zero-order kinetic models. Prior and subsequent to the mineralization event, tfdA genes were quantified using real-time PCR to estimate the genetic potential for degrading PA in the soils. In 25 of the 45 mineralization scenarios, similar to 60% mineralization was observed within 118 days. Elevated concentrations of tfdA in the range 1 x 10(5) to 5 x 10(7) gene copies g(-1) of soil were observed in soils where mineralization could be described by using growth-linked kinetic models. A clear trend was observed that the mineralization rates of the three PAs occurred in the order 2,9-D > MCPA > MCPP, and a correlation was observed between rapid mineralization and soils exposed to PA previously. Finally, for 2,4-D mineralization, all seven mineralization patterns which were best fitted by the exponential model yielded a higher tfdA gene potential after mineralization had occurred than the three mineralization patterns best fitted by the Lin model. C1 [Baelum, Jacob; Jacobsen, Carsten S.] Geol Survey Denmark & Greenland, Dept Geochem, Copenhagen, Denmark. [Baelum, Jacob] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Horsholm, Denmark. [Prestat, Emmanuel; David, Maude M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Prestat, Emmanuel] Kansas State Univ, Div Biol, Manhattan, KS 66506 USA. [Strobel, Bjarne W.; Jacobsen, Carsten S.] Univ Copenhagen, Dept Basic Sci & Environm, Frederiksberg, Denmark. [Jacobsen, Carsten S.] Univ Copenhagen, Ctr Permafrost, CENPERM, Copenhagen, Denmark. RP Jacobsen, CS (reprint author), Geol Survey Denmark & Greenland, Dept Geochem, Copenhagen, Denmark. EM csj@geus.dk RI Strobel, Bjarne/E-8980-2010; Balum, Jacob/I-2353-2013 OI Strobel, Bjarne/0000-0001-9680-1715; Balum, Jacob/0000-0002-1022-6586 FU Danish Research Council for Technology and Production Sciences [274-05-0199] FX We thank the Danish Research Council for Technology and Production Sciences for its financial support of the project Agricultural Practice, Microbial Activity and Pesticide Leaching (FTP no 274-05-0199). We thank Ziv Arbelli, Shai Arnon, Gary Bending, and Fabrice Martin-Laurent for kindly providing soils. We thank Pia Bach Jakobsen and Szymon Kopalski for skillful technical assistance and Kirsa Demant and Michael Belt at Ad Hoc Translation service for proofreading the manuscript. NR 40 TC 9 Z9 9 U1 0 U2 37 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2012 VL 78 IS 15 BP 5305 EP 5312 DI 10.1128/AEM.00990-12 PG 8 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 975ST UT WOS:000306532500033 ER PT J AU Hu, JP Reciniello, RN Holden, NE AF Hu, Jih-Perng Reciniello, Richard N. Holden, Norman E. TI Decommissioning of the High Flux Beam Reactor at Brookhaven National Laboratory SO HEALTH PHYSICS LA English DT Article DE operational topics; dosimetry; radioactivity, removal of; reactor, nuclear AB The High Flux Beam Reactor (HFBR) at the Brookhaven National Laboratory was a heavy-water cooled and moderated reactor that achieved criticality on 31 October 1965. It operated at a power level of 40 mega-watts. An equipment upgrade in 1982 allowed operations at 60 mega-watts. After a 1989 reactor shutdown to reanalyze safely impact of a hypothetical loss of coolant accident, the reactor was restarted in 1991 at 30 mega-watts. The HFBR was shut down in December 1996 for routine maintenance and refueling. At that time, a leak of tritiated water was identified by routine sampling if ground water from wells located adjacent to the reactors spent fire( pool. The reactor remained shut down for almost 3 y for safety and environmental reviews. In November 1999, the United States Department of Energy decided to permanently shut down the HFBR. The decontamination and decommissioning of the HFBR complex, consisting of multiple structures and systems to operate and maintain the reactor, were complete in 2009 after removing and shipping off all the control rod blades. The emptied and cleaned HEBR dome, which still con tans the irradiated factor vessel is presently under 24/7 surveillance for safety. Details of the HFBR's cleanup performed during 7999-2009, to allow the BNL facilities to be re-accessed by the public, will be described in the paper Health Phys. 103 (Supplement 2):S151-S160; 2012 C1 [Hu, Jih-Perng; Reciniello, Richard N.; Holden, Norman E.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Hu, JP (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hu1@bnl.gov FU U.S. DOE [DE-AC02-98CH10886] FX This research was supported by the U.S. DOE under the contract DE-AC02-98CH10886. NR 3 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2012 VL 103 IS 2 SU S BP S151 EP S160 PG 10 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 975TK UT WOS:000306534200006 PM 22739969 ER PT J AU Thomas, E Sweet, L MacFarlan, P McNamara, B Kerschner, H AF Thomas, Elizabeth Sweet, Lucas MacFarlan, Paul McNamara, Bruce Kerschner, Harrison TI A Comparative Study for Radiological Decontamination of Laboratory Fume Hood Materials SO HEALTH PHYSICS LA English DT Article DE operational topics; Am-241; alpha particles; decontamination AB The efficacy for radiological decontamination of the laboratory standard finite hood as constructed of stainless steel, compared to that of powder-coated carbon steel is described. While the chemical inertness of powder-coated surfaces is good, faced with everyday abrasion, aggressive inorganic solutions and vapors, and penetrating organics commonly employed in government laboratory fume hoods, radiological decontamination of powder-coated steel surfaces was found to be similar to those made of stainless steel for easily solubilized or digestible radionuclides. Plutonium was difficult to remove from stainless steel and powder-coated surfaces, especially after prolonged contact times. Health Phys. 103(Supplement 2):S136-S143; 2012 C1 [Thomas, Elizabeth; Sweet, Lucas; MacFarlan, Paul; McNamara, Bruce; Kerschner, Harrison] Pacific NW Natl Lab, Radiochem Proc Lab, Richland, WA 99352 USA. RP Thomas, E (reprint author), Pacific NW Natl Lab, Radiochem Proc Lab, POB 999, Richland, WA 99352 USA. EM harrison.kerschner@pnl.gov NR 5 TC 0 Z9 0 U1 0 U2 6 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2012 VL 103 IS 2 SU S BP S136 EP S143 PG 8 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 975TK UT WOS:000306534200004 PM 22739967 ER PT J AU Whicker, JJ Baltz, D Eisele, WF Hart, OF McNaughton, MW Green, AA AF Whicker, Jeffrey J. Baltz, David Eisele, William F. Hart, Orval F. McNaughton, Michael W. Green, Andrew A. TI Operational Experience of Continuous Air Monitoring of Smoke for Pu-239 during a Wildfire SO HEALTH PHYSICS LA English DT Article DE operational topics; air sampling; emergencies, radiological; inhalation ID WIND EROSION; DISTURBANCE; EXPOSURE; RADON AB Smoke from a wildfire in northern New Mexico that moved along the border of the Los Alamos National Laboratory (LANL) was monitored for Pu-239 in the event that the fire might cross into LANT property containing locations with low, but greater than background, levels of 239Pu and other alpha-emitting radionuclides. Three Environmental Continuous Air Monitors (ECAMs) in operation at LANL at the time of the fire provided near real-time measurements of the 239Pu in the smoke Sampling data from routine measurements of PM-10 and PM-2.5 concentrations in the city of Los Alamos showed that smoke in the air rose during the fire to several hundred lig which produced limited visibility (several him dred meters) and resulted in poor air quality alerts for about a week-long period. Previous studies have shown that airborne dust can significantly impair continuous air monitors, so the purpose of this study was to assess the performance of the ECAMs under smoky conditions, which is important for many emergency response scenarios. Additionally, ECAMs are not required to be tested in smoke by ANSI standards, so there is little to no published data on performance of any ECAM while sampling smoke. Results show that the deployed ECAMS had reduced flow as the filter clogged with fine particles, but the goodness-of-fit parameter of the peak shape fitting algorithms and the minimum detectable concentration and dose were not impacted until the flow was reduced by more than about 20%, and even then they were within tolerable limits. Overall, ECAM performance was not impacted during the fire even under heavy smoke conditions and fluctuating radon levels, though changing the filters to limit any reductions in flow to less than 20% would maintain optimal ECAM performance. Health Phys. 103(Supplement 2): S161 S168; 2012 C1 [Whicker, Jeffrey J.; Eisele, William F.; Hart, Orval F.; McNaughton, Michael W.; Green, Andrew A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Baltz, David] Bladewerx, Rio Rancho, NM 87124 USA. RP Whicker, JJ (reprint author), Los Alamos Natl Lab, Mail Stop M996, Los Alamos, NM 87545 USA. EM jjwhicker@lanl.gov NR 14 TC 0 Z9 0 U1 0 U2 3 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2012 VL 103 IS 2 SU S BP S161 EP S168 PG 8 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 975TK UT WOS:000306534200007 PM 22739970 ER PT J AU Ozumi, K Sudhahar, V Kim, HW Chen, GF Kohno, T Finney, L Vogt, S McKinney, RD Ushio-Fukai, M Fukai, T AF Ozumi, Kiyoshi Sudhahar, Varadarajan Kim, Ha Won Chen, Gin-Fu Kohno, Takashi Finney, Lydia Vogt, Stefan McKinney, Ronald D. Ushio-Fukai, Masuko Fukai, Tohru TI Role of Copper Transport Protein Antioxidant 1 in Angiotensin II-Induced Hypertension A Key Regulator of Extracellular Superoxide Dismutase SO HYPERTENSION LA English DT Article DE angiotensin II; hypertension; oxidative stress; antioxidant 1; SOD3; SOD1; copper ID NITRIC-OXIDE; OXIDATIVE STRESS; DIETARY COPPER; HEART-DISEASE; MENKES ATPASE; SERUM COPPER; EXPRESSION; HOMEOSTASIS; CHAPERONE; TRANSCRIPTION AB Extracellular superoxide dismutase (SOD3) is a secretory copper enzyme involved in protecting angiotensin II (Ang II)-induced hypertension. We found previously that Ang II upregulates SOD3 expression and activity as a counterregulatory mechanism; however, underlying mechanisms are unclear. Antioxidant 1 (Atox1) is shown to act as a copper-dependent transcription factor, as well as a copper chaperone, for SOD3 in vitro, but its role in Ang II-induced hypertension in vivo is unknown. Here we show that Ang II infusion increases Atox1 expression, as well as SOD3 expression and activity, in aortas of wild-type mice, which are inhibited in mice lacking Atox1. Accordingly, Ang II increases vascular superoxide production, reduces endothelium-dependent vasodilation, and increases vasoconstriction in mesenteric arteries to a greater extent in Atox1(-/-) than in wild-type mice. This contributes to augmented hypertensive response to Ang II in Atox1(-/-) mice. In cultured vascular smooth muscle cells, Ang II promotes translocation of Atox1 to the nucleus, thereby increasing SOD3 transcription by binding to Atox1-responsive element in the SOD3 promoter. Furthermore, Ang II increases Atox1 binding to the copper exporter ATP7A, which obtains copper from Atox1, as well as translocation of ATP7A to plasma membranes, where it colocalizes with SOD3. As its consequence, Ang II decreases vascular copper levels, which is inhibited in Atox1(-/-) mice. In summary, Atox1 functions to prevent Ang II-induced endothelial dysfunction and hypercontraction in resistant vessels, as well as hypertension, in vivo by reducing extracellular superoxide levels via increasing vascular SOD3 expression and activity. (Hypertension. 2012;60:476-486.) circle Online Data Supplement C1 [Ozumi, Kiyoshi; Sudhahar, Varadarajan; Kim, Ha Won; Chen, Gin-Fu; Kohno, Takashi; McKinney, Ronald D.; Fukai, Tohru] Univ Illinois, Dept Med, Sect Cardiol, Ctr Cardiovasc Res,Ctr Lung & Vasc Biol, Chicago, IL 60612 USA. [McKinney, Ronald D.; Ushio-Fukai, Masuko] Univ Illinois, Dept Pharmacol, Ctr Cardiovasc Res, Ctr Lung & Vasc Biol, Chicago, IL 60612 USA. [Kohno, Takashi; McKinney, Ronald D.; Fukai, Tohru] Jesse Brown VA Med Ctr, Chicago, IL USA. [Finney, Lydia] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Finney, Lydia; Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Fukai, T (reprint author), Univ Illinois, Dept Med, Sect Cardiol, Ctr Cardiovasc Res,Ctr Lung & Vasc Biol, 835 S Wolcott,M-C868,E403MSB, Chicago, IL 60612 USA. EM tfukai@uic.edu RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; National Institutes of Health [R01 HL070187]; Veterans Affairs MERIT grant; American Heart Association [11POST5740006]; Ruth L. Kirschstein-National Service Research Award T32 training grant; [R01 HL077524]; [HL077524-S1] FX Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357.; This research was supported by National Institutes of Health grant R01 HL070187 (to T. F.), a Veterans Affairs MERIT grant (to T. F.), and grants R01 HL077524 and HL077524-S1 (to M. U.-F.); American Heart Association postdoctoral fellowship 11POST5740006 (to V. S.), and Ruth L. Kirschstein-National Service Research Award T32 training grant (to G.-F.C.). NR 50 TC 23 Z9 23 U1 1 U2 7 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0194-911X J9 HYPERTENSION JI Hypertension PD AUG PY 2012 VL 60 IS 2 BP 476 EP + DI 10.1161/HYPERTENSIONAHA.111.189571 PG 21 WC Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 975ZS UT WOS:000306550900041 PM 22753205 ER PT J AU Bond, LJ AF Bond, Leonard J. TI OLD REACTORS, NEW TRICKS SO IEEE SPECTRUM LA English DT Article C1 [Bond, Leonard J.] US DOE, Pacific NW Natl Lab, Washington, DC 20585 USA. [Bond, Leonard J.] Iowa State Univ, Ctr Nondestruct Evaluat, Ames, IA 50011 USA. RP Bond, LJ (reprint author), Iowa State Univ, Ctr Nondestruct Evaluat, Ames, IA 50011 USA. NR 0 TC 3 Z9 3 U1 1 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9235 J9 IEEE SPECTRUM JI IEEE Spectr. PD AUG PY 2012 VL 49 IS 8 BP 30 EP 35 DI 10.1109/MSPEC.2012.6247559 PG 6 WC Engineering, Electrical & Electronic SC Engineering GA 981VI UT WOS:000306998800014 ER PT J AU Hu, WK Ha, YD Bobaru, F Silling, SA AF Hu, Wenke Ha, Youn Doh Bobaru, Florin Silling, Stewart A. TI The formulation and computation of the nonlocal J-integral in bond-based peridynamics SO INTERNATIONAL JOURNAL OF FRACTURE LA English DT Article DE J-integral; Peridynamics; Nonlocal methods; Path-independence; Fracture ID TRANSIENT HEAT-CONDUCTION; DYNAMIC FRACTURE; ADAPTIVE REFINEMENT; HARDENING MATERIAL; SOLID MECHANICS; CRACK; DISCONTINUITIES; FORCES; DAMAGE; MODEL AB This work presents a rigorous derivation for the formulation of the J-integral in bond-based peridynamics using the crack infinitesimal virtual extension approach. We give a detailed description of an algorithm for computing this nonlocal version of the J-integral. We present convergence studies (m-convergence and delta-convergence) for two different geometries: a single edge-notch configuration and a double edge-notch sample. We compare the results with results based on the classical J-integral and obtained from FEM calculations that employ special elements near the crack tip. We identify the size of the nonlocal region for which the peridynamic J-integral value is near the classical FEM solutions. We discuss how the boundary conditions and the peridynamic "skin effect" may influence the peridynamic J-integral value. We also observe, computationally, the path-independence of the peridynamic J-integral. C1 [Hu, Wenke; Ha, Youn Doh; Bobaru, Florin] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA. [Silling, Stewart A.] Sandia Natl Labs, Multiphys Simulat Technol Dept, Albuquerque, NM 87185 USA. RP Bobaru, F (reprint author), Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA. EM fbobaru2@unl.edu RI Bobaru, Florin/J-2167-2012; OI Bobaru, Florin/0000-0002-9954-6489; Ha, Youn Doh/0000-0002-6275-5551 FU UNL; ARO [58450EG]; Sandia National Laboratories [568428]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; ARL FX The WH, YDH, and FB are thankful for the financial support offered through research contracts between UNL and the ARO (Dr. Larry Russell), ARL (project coordinators Dr. C. F. Yen and Dr. C. Randow), ARO award number 58450EG, and Sandia National Laboratories (contract number 568428). Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The computations in this work were completed utilizing the Holland Computing Center of the University of Nebraska. NR 24 TC 9 Z9 9 U1 3 U2 27 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0376-9429 J9 INT J FRACTURE JI Int. J. Fract. PD AUG PY 2012 VL 176 IS 2 BP 195 EP 206 DI 10.1007/s10704-012-9745-8 PG 12 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 975XM UT WOS:000306545000007 ER PT J AU Caporaso, JG Lauber, CL Walters, WA Berg-Lyons, D Huntley, J Fierer, N Owens, SM Betley, J Fraser, L Bauer, M Gormley, N Gilbert, JA Smith, G Knight, R AF Caporaso, J. Gregory Lauber, Christian L. Walters, William A. Berg-Lyons, Donna Huntley, James Fierer, Noah Owens, Sarah M. Betley, Jason Fraser, Louise Bauer, Markus Gormley, Niall Gilbert, Jack A. Smith, Geoff Knight, Rob TI Ultra-high-throughput microbial community analysis on the Illumina HiSeq and MiSeq platforms SO ISME JOURNAL LA English DT Article DE illumine; barcoded sequencing; QIIME ID RIBOSOMAL-RNA GENE; DIVERSITY; PATTERNS; SAMPLE AB DNA sequencing continues to decrease in cost with the Illumina HiSeq2000 generating up to 600 Gb of paired-end 100 base reads in a ten-day run. Here we present a protocol for community amplicon sequencing on the HiSeq2000 and MiSeq Illumina platforms, and apply that protocol to sequence 24 microbial communities from host-associated and free-living environments. A critical question as more sequencing platforms become available is whether biological conclusions derived on one platform are consistent with what would be derived on a different platform. We show that the protocol developed for these instruments successfully recaptures known biological results, and additionally that biological conclusions are consistent across sequencing platforms (the HiSeq2000 versus the MiSeq) and across the sequenced regions of amplicons. The ISME Journal (2012) 6, 1621-1624; doi:10.1038/ismej.2012.8; published online 8 March 2012 C1 [Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA. [Caporaso, J. Gregory] No Arizona Univ, Dept Comp Sci, Flagstaff, AZ 86011 USA. [Lauber, Christian L.; Berg-Lyons, Donna; Fierer, Noah] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Walters, William A.] Univ Colorado, Dept Mol Cellular & Dev Biol, Boulder, CO 80309 USA. [Huntley, James] Univ Colorado, Colorado Initiat Mol Biotechnol, Boulder, CO 80309 USA. [Fierer, Noah] Univ Colorado, Dept Ecol & Evolutionary Biol, Boulder, CO 80309 USA. [Owens, Sarah M.; Gilbert, Jack A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Betley, Jason; Fraser, Louise; Bauer, Markus; Gormley, Niall; Smith, Geoff] Illumina Cambridge Ltd, Saffron Walden, Essex, England. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Knight, Rob] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Knight, R (reprint author), Univ Colorado, Howard Hughes Med Inst, UCB 215, Boulder, CO 80309 USA. EM rob@spot.colorado.edu RI Knight, Rob/D-1299-2010 FU National Science Foundation; Amazon Web Services; NIH; Crohn's and Colitis Foundation of America; Bill and Melinda Gates Foundation; Howard Hughes Medical Institute FX We wish to thank the National Ecological Observatory Network (a project sponsored by the National Science Foundation and managed under cooperative agreement by NEON, Inc.) for donation of the soil samples; and Aurelie Breton and Joshua Quick for running the MiSeq instrument. This work was funded in part by Amazon Web Services, NIH, Crohn's and Colitis Foundation of America, The Bill and Melinda Gates Foundation, and the Howard Hughes Medical Institute. NR 9 TC 1061 Z9 1083 U1 85 U2 748 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 J9 ISME J JI ISME J. PD AUG PY 2012 VL 6 IS 8 BP 1621 EP 1624 DI 10.1038/ismej.2012.8 PG 4 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 975GG UT WOS:000306495800018 PM 22402401 ER PT J AU Myles, DAA Dauvergne, F Blakeley, MP Meilleur, F AF Myles, Dean A. A. Dauvergne, Francois Blakeley, Matthew P. Meilleur, Flora TI Neutron protein crystallography at ultra-low (< 15 K) temperatures SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE neutron protein crystallography; flash cooling; cryocrystallography ID X-RAY CRYSTALLOGRAPHY; D-XYLOSE ISOMERASE; MACROMOLECULAR CRYSTALLOGRAPHY; CONCANAVALIN-A; PYROCOCCUS-FURIOSUS; LAUE DIFFRACTION; CRYSTAL DIFFRACTOMETER; ANGSTROM RESOLUTION; ALDOSE REDUCTASE; RADIATION-DAMAGE AB Techniques and equipment have been developed that enable large protein crystals (16 mm3) flash-cooled in liquid nitrogen at 77 K to be transferred and mounted on a liquid helium Displex cryorefrigerator and cooled to temperatures down to 15 K for accurate neutron diffraction analysis. In preliminary experiments, it was possible to collect high-quality high-resolution neutron diffraction data to 1.55 angstrom resolution from several large crystals of triclinic hen egg white lysozyme cooled to 15 K. This enabled the subsequent cryogenic analysis of two further proteins, rubredoxin and concanavalin A, at 1.7 and 2.5 angstrom, respectively, demonstrating the generality of the approach. The ability to flash-cool such large crystals for cryogenic neutron analysis should significantly broaden the range of scientific questions examined by neutron protein crystallography, allowing the analysis of structures and transitions as a function of temperature and enabling freeze-trapped capture of kinetic intermediates in protein systems. C1 [Myles, Dean A. A.; Meilleur, Flora] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [Dauvergne, Francois] European Mol Biol Lab, F-38042 Grenoble, France. [Blakeley, Matthew P.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. [Meilleur, Flora] N Carolina State Univ, Dept Mol & Struct Biochem, Raleigh, NC 27695 USA. RP Myles, DAA (reprint author), Oak Ridge Natl Lab, Neutron Sci Directorate, POB 2008, Oak Ridge, TN 37831 USA. EM mylesda@ornl.gov RI myles, dean/D-5860-2016; Blakeley, Matthew/G-7984-2015 OI myles, dean/0000-0002-7693-4964; Blakeley, Matthew/0000-0002-6412-4358 FU Division of Scientific User Facilities, US Department of Energy, Basic Energy Sciences; US Department of Energy [DE-AC05-00OR22725] FX The work at Oak Ridge National Laboratory (ORNL) was supported by the Division of Scientific User Facilities, US Department of Energy, Basic Energy Sciences. This manuscript has been authored by UT-Battelle LLC under contract No. DE-AC05-00OR22725 with the US Department of Energy. NR 51 TC 10 Z9 10 U1 0 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2012 VL 45 BP 686 EP 692 DI 10.1107/S0021889812019784 PN 4 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 977HW UT WOS:000306648300008 ER PT J AU Lord, OT Vocadlo, L Wood, IG Dobson, DP Clark, SM Walter, MJ AF Lord, Oliver T. Vocadlo, Lidunka Wood, Ian G. Dobson, David P. Clark, Simon M. Walter, Michael J. TI High-pressure phase transitions and equations of state in NiSi. II. Experimental results SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE NiSi; nickel silicide; diamond anvil cells; equations of state; high pressure; Earth's core ID 1ST-PRINCIPLES PSEUDOPOTENTIAL CALCULATIONS; IRON-SILICON ALLOYS; DIAMOND-ANVIL CELL; EARTHS CORE; THERMAL-EXPANSION; POWDER DIFFRACTION; SOUND VELOCITIES; FESI-TYPE; TEMPERATURE; NICKEL AB The high-pressure structures of nickel monosilicide (NiSi) have been investigated to 124 GPa by synchrotron-based X-ray powder diffraction studies of quenched samples from laser-heated diamond anvil cell experiments, and the equations of state of three of these phases have been determined at room temperature. NiSi transforms from the MnP (B31) structure (space group Pnma) to the ?-FeSi (B20) structure (space group P213) at 12.5 +/- 4.5 GPa and 1550 +/- 150 K. Upon further compression, the CsCl (B2) structure (space group Pm3m) becomes stable at 46 +/- 3 GPa and 1900 +/- 150 K. Thus, NiSi will be in the B2 structure throughout the majority of the Earth's mantle and its entire core, and will likely form a solid solution with FeSi, which is already known to undergo a B20 ? B2 transition at high pressure. Data from the quenched (room-temperature) samples of all three phases have been fitted to the third-order BirchMurnaghan equation of state. For the MnP (B31) structure this yields K0 = 165 +/- 3 GPa with K0' fixed at 4 and V0 fixed at 12.1499 angstrom 3 atom-1 [V0 from unpublished neutron diffraction measurements on the same batch of starting material; Wood (2011), personal communication]. For the epsilon-FeSi (B20) structure, K0 =161+/- 3 GPa and K0' = 5.6 +/- 0.2 with V0 fixed at 11.4289 angstrom 3 atom-1. For the CsCl (B2) structure, K0 = 200 +/- 9 GPa, K0' = 4.6 +/- 0.1 and V0 = 11.09 +/- 0.05 angstrom 3 atom-1. The ambient volume of NiSi, therefore, decreases by 6% at the first phase transition and then by a further 3% at the transition to the CsCl structure. Traces of additional NiSi structures predicted by Vocadlo, Wood & Dobson [J. Appl. Cryst. (2012), 45, 186196; part I], and labelled therein as Pbma-I, Pnma-II, and possibly also Pnma-III and P4/nmm, have been detected. C1 [Lord, Oliver T.; Vocadlo, Lidunka; Wood, Ian G.; Dobson, David P.] UCL, Dept Earth Sci, London WC1E 6BT, England. [Clark, Simon M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Walter, Michael J.] Univ Bristol, Sch Earth Sci, Bristol BS8 1RJ, Avon, England. RP Lord, OT (reprint author), UCL, Dept Earth Sci, Gower St, London WC1E 6BT, England. EM oliver.lord@bristol.ac.uk RI Lord, Oliver/D-4663-2014; Clark, Simon/B-2041-2013 OI Lord, Oliver/0000-0003-0563-1293; Clark, Simon/0000-0002-7488-3438 FU Natural Environment Research Council at UCL (NERC) [NE/H003975/1]; NERC [NE/H003541/1] FX OTL acknowledges support from the Natural Environment Research Council at UCL (NERC grant No. NE/H003975/1). The experimental work at the Advanced Light Source, Lawrence Berkeley National Laboratory, USA, was additionally supported by NERC grant No. NE/H003541/1 awarded to MJW at the University of Bristol. OTL also thanks Alastair McDowell, Jason Knight and Jinyuan Yan for their technical assistance at beamline 12.2.2 of the ALS. The authors thank Dr Devashibhai Adroja and Dr Kevin Knight (ISIS Facility, Rutherford Appleton Laboratory, England) for assistance with the sample preparation, and Jabraan Ahmed (Department of Earth Sciences, UCL) for helpful discussions. Finally, we acknowledge three anonymous reviewers whose comments helped to improve the manuscript significantly. NR 52 TC 7 Z9 7 U1 3 U2 24 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2012 VL 45 BP 726 EP 737 DI 10.1107/S0021889812016809 PN 4 PG 12 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 977HW UT WOS:000306648300012 ER PT J AU Huang, XJ Harder, R Leake, S Clark, J Robinson, I AF Huang, Xiaojing Harder, Ross Leake, Steven Clark, Jesse Robinson, Ian TI Three-dimensional Bragg coherent diffraction imaging of an extended ZnO crystal SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE three-dimensional quantitative imaging; coherent diffraction imaging; ptychography; zinc oxide ID X-RAY-DIFFRACTION; TETRAPOD NANOCRYSTALS; MICROSCOPY; NANOSCALE; GROWTH; BEAM AB A complex three-dimensional quantitative image of an extended zinc oxide (ZnO) crystal has been obtained using Bragg coherent diffraction imaging integrated with ptychography. By scanning a 2.5 mu m-long arm of a ZnO tetrapod across a 1.3 mu m X-ray beam with fine step sizes while measuring a three-dimensional diffraction pattern at each scan spot, the three-dimensional electron density and projected displacement field of the entire crystal were recovered. The simultaneously reconstructed complex wavefront of the illumination combined with its coherence properties determined by a partial coherence analysis implemented in the reconstruction process provide a comprehensive characterization of the incident X-ray beam. C1 [Huang, Xiaojing; Leake, Steven; Clark, Jesse; Robinson, Ian] UCL, London Ctr Nanotechnol, London WC1H 0AH, England. [Huang, Xiaojing; Harder, Ross] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Robinson, Ian] Res Complex Harwell, Didcot OX11 0DE, Oxon, England. RP Robinson, I (reprint author), UCL, London Ctr Nanotechnol, London WC1H 0AH, England. EM i.robinson@ucl.ac.uk RI Huang, Xiaojing/K-3075-2012 OI Huang, Xiaojing/0000-0001-6034-5893 FU European Research Council [227711]; US National Science Foundation [DMR-9724294]; US Department of Energy, Office of Basic Energy Sciences [DE-AC0206CH11357] FX This project was supported by the European Research Council as an FP7 Advanced grant 'Nanosculpture', code 227711. The measurements were carried out at APS beamline 34-ID-C, built with US National Science Foundation grant No. DMR-9724294 and operated by the US Department of Energy, Office of Basic Energy Sciences, under contract No. DE-AC0206CH11357. The authors thank the Electron Microscopy Center of Argonne National Laboratory as well as Tao Sun and Yi-Kai Huang for their help on SEM imaging. NR 42 TC 19 Z9 20 U1 2 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2012 VL 45 BP 778 EP 784 DI 10.1107/S0021889812018900 PN 4 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 977HW UT WOS:000306648300017 PM 22829708 ER PT J AU Blau, PJ Howe, JY Coffey, DW Trejo, RM Kenik, ED Jolly, BC Yang, N AF Blau, P. J. Howe, J. Y. Coffey, D. W. Trejo, R. M. Kenik, E. D. Jolly, B. C. Yang, N. TI Microstructure, Morphology, and Nanomechanical Properties Near Fine Holes Produced by Electro-Discharge Machining SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE automotive; carbon/alloy steels; metallography AB Fine holes in metal alloys are employed for many important technological purposes, including cooling and the precise atomization of liquids. For example, they play an important role in the metering and delivery of fuel to the combustion chambers in energy-efficient, low-emission diesel engines. Electro-discharge machining (EDM) is one process employed to produce such holes. Since the hole shape and bore morphology can affect fluid flow, and holes also represent structural discontinuities in the tips of the spray nozzles, it is important to understand the microstructures adjacent to these holes, the features of the hole walls, and the nanomechanical properties of the material that was in some manner altered by the EDM hole-making process. Several techniques were used to characterize the structure and properties of spray-holes in a commercial injector nozzle. These include scanning electron microscopy, cross sectioning and metallographic etching, bore surface roughness measurements by optical interferometry, scanning electron microscopy, and transmission electron microscopy of recast EDM layers extracted with the help of a focused ion beam. C1 [Blau, P. J.; Howe, J. Y.; Coffey, D. W.; Trejo, R. M.; Kenik, E. D.; Jolly, B. C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Yang, N.] Caterpillar Inc, Peoria, IL 61629 USA. RP Blau, PJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM blaupj@ornl.gov FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Office of Vehicle Technologies; Caterpillar Inc. FX This effort was supported in part by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under a cooperative research and development agreement (CRADA) with Caterpillar Inc. Oak Ridge National Laboratory is managed by UT Battelle LLC under contract to the US Department of Energy. Randy Parten and Tom Geer of ORNL provided valuable help in precision sectioning and metallographic preparation, respectively. The authors wish to thank A. Shyam, ORNL, for his comments during the review. NR 8 TC 0 Z9 0 U1 2 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD AUG PY 2012 VL 21 IS 8 BP 1744 EP 1750 DI 10.1007/s11665-011-0070-6 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 975ZD UT WOS:000306549400021 ER PT J AU Podpirka, A Tselev, A Ramanathan, S AF Podpirka, Adrian Tselev, Alexander Ramanathan, Shriram TI Synthesis and frequency-dependent dielectric properties of epitaxial La1.875Sr0.125NiO4 thin films SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID OXYGEN NONSTOICHIOMETRY; ELECTRODES; NICKELATE; CONSTANT AB Epitaxial thin films of La1.875Sr0.125NiO4 (lanthanum strontium nickelate, LSNO) have been synthesized by sputtering onto single crystal oxide substrates and their structural and dielectric properties are reported. High dielectric constants on the order of 10(7) have been measured up to 1 MHz in interdigitated capacitors with a frequency dependence that correlates with substrate imposed strain and texture. The observation of a high dielectric constant albeit with moderate loss tangent at high frequencies motivates further explorations of charge ordering phenomena in such complex oxides and serves to examine size effects on dielectric response by comparison with studies on bulk single crystal LSNO. C1 [Podpirka, Adrian; Ramanathan, Shriram] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Tselev, Alexander] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Podpirka, A (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. EM podpirka@fas.harvard.edu RI Tselev, Alexander/L-8579-2015; OI Tselev, Alexander/0000-0002-0098-6696; Podpirka, Adrian/0000-0002-4000-989X FU Semiconductor Research Corporation; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX Financial support from the Semiconductor Research Corporation is gratefully acknowledged. The authors thank Danielle Proffit and Professor Thomas Mason (Northwestern University) for technical discussions regarding the IDC measurements. A portion of this research (AT) was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 26 TC 4 Z9 4 U1 1 U2 22 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD AUG 1 PY 2012 VL 45 IS 30 AR 305302 DI 10.1088/0022-3727/45/30/305302 PG 7 WC Physics, Applied SC Physics GA 974ZC UT WOS:000306475200011 ER PT J AU Dick-Perez, M Wang, T Salazar, A Zabotina, OA Hong, M AF Dick-Perez, Marilu Wang, Tuo Salazar, Andre Zabotina, Olga A. Hong, Mei TI Multidimensional solid-state NMR studies of the structure and dynamics of pectic polysaccharides in uniformly C-13-labeled Arabidopsis primary cell walls SO MAGNETIC RESONANCE IN CHEMISTRY LA English DT Article DE pectic polysaccharides; solid-state NMR ID MOLECULAR-STRUCTURE; CELLULOSE; THALIANA; XYLOGLUCAN; BIOSYNTHESIS; SPECTROSCOPY; GROWTH; PLANTS; RESONANCE; ADHESION AB Plant cell wall (CW) polysaccharides are responsible for the mechanical strength and growth of plant cells; however, the high-resolution structure and dynamics of the CW polysaccharides are still poorly understood because of the insoluble nature of these molecules. Here, we use 2D and 3D magic-angle-spinning (MAS) solid-state NMR (SSNMR) to investigate the structural role of pectins in the plant CW. Intact and partially depectinated primary CWs of Arabidopsis thaliana were uniformly labeled with 13C and their NMR spectra were compared. Recent C-13 resonance assignment of the major polysaccharides in Arabidopsis thaliana CWs allowed us to determine the effects of depectination on the intermolecular packing and dynamics of the remaining wall polysaccharides. 2D and 3D correlation spectra show the suppression of pectin signals, confirming partial pectin removal by chelating agents and sodium carbonate. Importantly, higher cross peaks are observed in 2D and 3D 13C spectra of the depectinated CW, suggesting higher rigidity and denser packing of the remaining wall polysaccharides compared with the intact CW. 13C spinlattice relaxation times and 1H rotating-frame spinlattice relaxation times indicate that the polysaccharides are more rigid on both the nanosecond and microsecond timescales in the depectinated CW. Taken together, these results indicate that pectic polysaccharides are highly dynamic and endow the polysaccharide network of the primary CW with mobility and flexibility, which may be important for pectin functions. This study demonstrates the capability of multidimensional SSNMR to determine the intermolecular interactions and dynamic structures of complex plant materials under near-native conditions. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Dick-Perez, Marilu; Wang, Tuo; Hong, Mei] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Dick-Perez, Marilu; Wang, Tuo; Hong, Mei] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Salazar, Andre; Zabotina, Olga A.] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. RP Hong, M (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM mhong@iastate.edu FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [AL-90-360-001] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award AL-90-360-001. NR 45 TC 29 Z9 32 U1 4 U2 47 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0749-1581 J9 MAGN RESON CHEM JI Magn. Reson. Chem. PD AUG PY 2012 VL 50 IS 8 BP 539 EP 550 DI 10.1002/mrc.3836 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 975LI UT WOS:000306512400004 PM 22777793 ER PT J AU Fischer, CR Wilmes, P Bowen, BP Northen, TR Banfield, JF AF Fischer, Curt R. Wilmes, Paul Bowen, Benjamin P. Northen, Trent R. Banfield, Jillian F. TI Deuterium-exchange metabolomics identifies N-methyl lyso phosphatidylethanolamines as abundant lipids in acidophilic mixed microbial communities SO METABOLOMICS LA English DT Article DE Deuterium exchange; Untargeted metabolomics; Microbial community; Lyso lipid ID MASS-SPECTROMETRY; HYDROGEN/DEUTERIUM EXCHANGE; ESCHERICHIA-COLI; BACTERIAL LIPIDS; LC-MS; PHOSPHOLIPIDS; METABOLISM; BIOSYNTHESIS; PROTEOMICS; OXIDATION AB Natural microbial communities are extremely diverse and contain uncharacterized but functionally important small molecules. By coupling a deuterium (D) labeling technique to high mass accuracy untargeted liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) metabolomic analysis, we found that natural acidophilic microbial biofilms dominated by bacteria of the genus Leptospirillum contained unusual lyso phosphatidylethanolamine (PE) lipids in high abundance (more than 10 nmol/mg of dry biomass). The unusual polar head group structure of these lipids is similar to lipids found in phylogenetically unrelated acidophilic chemoautolithotrophs and may be related to the affinity of these lipids for iron and calcium ions. Correlations of lyso phospholipid and proteome abundance patterns suggest a link between the lyso phospholipids and the UBA-type substrain of Leptospirillum group II. By combining untargeted metabolomics with D exchange we demonstrate the ability to identify cryptic but biologically functional small molecules in mixed microbial communities. C1 [Fischer, Curt R.; Wilmes, Paul; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Bowen, Benjamin P.; Northen, Trent R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Banfield, Jillian F.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. RP Banfield, JF (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. EM jbanfield@berkeley.edu RI Northen, Trent/K-3139-2012; Wilmes, Paul/B-1707-2017; OI Wilmes, Paul/0000-0002-6478-2924; Northen, Trent/0000-0001-8404-3259 FU US Department of Energy, Office of Biological and Environmental Research Carbon-Cycling Program [DE-SC0004665]; DOE Genomics:GTL Program [DE-FG02-05ER64134]; Luxembourg National Research Fund ATTRACT grant [FNR/A09/03] FX The authors thank Mr. T. Arman for access to the Richmond Mine, Mr. R. Caver for on-site assistance, the Banfield lab members for assistance with biofilm sampling in the field, Susan Spaulding for assistance with bioreactor operation and sample preparation, and John Hayes for valuable technical discussions. This research was funded by the US Department of Energy, Office of Biological and Environmental Research Carbon-Cycling Program (DE-SC0004665), the DOE Genomics:GTL Program grant number DE-FG02-05ER64134. PWs recent involvement was supported by a Luxembourg National Research Fund ATTRACT grant (FNR/A09/03). NR 37 TC 5 Z9 5 U1 1 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1573-3882 J9 METABOLOMICS JI Metabolomics PD AUG PY 2012 VL 8 IS 4 BP 566 EP 578 DI 10.1007/s11306-011-0344-x PG 13 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 975ZF UT WOS:000306549600004 ER PT J AU Wicklein, HF Ollinger, SV Martin, ME Hollinger, DY Lepine, LC Day, MC Bartlett, MK Richardson, AD Norby, RJ AF Wicklein, Haley F. Ollinger, Scott V. Martin, Mary E. Hollinger, David Y. Lepine, Lucie C. Day, Michelle C. Bartlett, Megan K. Richardson, Andrew D. Norby, Richard J. TI Variation in foliar nitrogen and albedo in response to nitrogen fertilization and elevated CO2 SO OECOLOGIA LA English DT Article DE Albedo; Nitrogen; Leaf structure; Nitrogen fertilization; Free air CO2 enrichment ID LEAF OPTICAL-PROPERTIES; MESOPHYLL SURFACE-AREA; CANOPY REFLECTANCE; SAIL MODEL; SWEETGUM PLANTATION; PHOTOSYNTHETIC RATE; FOREST CANOPY; DRY MASS; LEAVES; LIGHT AB Foliar nitrogen has been shown to be positively correlated with midsummer canopy albedo and canopy near infrared (NIR) reflectance over a broad range of plant functional types (e.g., forests, grasslands, and agricultural lands). To date, the mechanism(s) driving the nitrogen-albedo relationship have not been established, and it is unknown whether factors affecting nitrogen availability will also influence albedo. To address these questions, we examined variation in foliar nitrogen in relation to leaf spectral properties, leaf mass per unit area, and leaf water content for three deciduous species subjected to either nitrogen (Harvard Forest, MA, and Oak Ridge, TN) or CO2 fertilization (Oak Ridge, TN). At Oak Ridge, we also obtained canopy reflectance data from the airborne visible/infrared imaging spectrometer (AVIRIS) to examine whether canopy-level spectral responses were consistent with leaf-level results. At the leaf level, results showed no differences in reflectance or transmittance between CO2 or nitrogen treatments, despite significant changes in foliar nitrogen. Contrary to our expectations, there was a significant, but negative, relationship between foliar nitrogen and leaf albedo, a relationship that held for both full spectrum leaf albedo as well as leaf albedo in the NIR region alone. In contrast, remote sensing data indicated an increase in canopy NIR reflectance with nitrogen fertilization. Collectively, these results suggest that altered nitrogen availability can affect canopy albedo, albeit by mechanisms that involve canopy-level processes rather than changes in leaf-level reflectance. C1 [Wicklein, Haley F.; Ollinger, Scott V.; Martin, Mary E.; Lepine, Lucie C.; Day, Michelle C.] Univ New Hampshire, Complex Syst Res Ctr, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Hollinger, David Y.] USDA Forest Service, No Res Stn, Durham, NH 03824 USA. [Bartlett, Megan K.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Richardson, Andrew D.] Harvard Univ, Dept Organism & Evolutionary Biol, Herbarium, Cambridge, MA 02138 USA. [Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Wicklein, HF (reprint author), Univ New Hampshire, Complex Syst Res Ctr, Inst Study Earth Oceans & Space, Morse Hall,8 Coll Rd, Durham, NH 03824 USA. EM hwicklein@abermail.sr.unh.edu RI Norby, Richard/C-1773-2012; Hollinger, David/G-7185-2012; Richardson, Andrew/F-5691-2011; Ollinger, Scott/N-3380-2014; OI Norby, Richard/0000-0002-0238-9828; Richardson, Andrew/0000-0002-0148-6714; Ollinger, Scott/0000-0001-6226-1431; Lepine, Lucie/0000-0003-1028-2534; Martin, Mary/0000-0003-1791-5584 FU North American Carbon Program (NACP) NASA's Terrestrial Ecology and Carbon Cycle Science Programs; US Department of Energy, Office of Science, Biological and Environmental Research Program; National Science Foundation [DBI-0452254] FX We thank G. James Collatz for helpful comments on a draft of this manuscript, Rob Braswell for providing the SAIL-2 model code, and Richard Norby, Colleen Iversen, and JeVery Warren for support at ORNL. We are indebted to Michael Eastwood, ER-2 pilots Denis Steel, Tim Williams, and the rest of the AVIRIS team for aircraft data acquisition. This work was funded by a grant from the North American Carbon Program (NACP) NASA's Terrestrial Ecology and Carbon Cycle Science Programs and a graduate fellowship provided by the Research and Discover program. The ORNL FACE experiment was supported by the US Department of Energy, Office of Science, Biological and Environmental Research Program. A.D.R. and M.K.B. acknowledge support, through the Harvard Forest REU program, from the National Science Foundation (Grant DBI-0452254). NR 47 TC 13 Z9 13 U1 2 U2 44 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0029-8549 J9 OECOLOGIA JI Oecologia PD AUG PY 2012 VL 169 IS 4 BP 915 EP 925 DI 10.1007/s00442-012-2263-6 PG 11 WC Ecology SC Environmental Sciences & Ecology GA 975GA UT WOS:000306494800006 PM 22294028 ER PT J AU Fernandes, RM Schmalian, J AF Fernandes, Rafael M. Schmalian, Joerg TI Manifestations of nematic degrees of freedom in the magnetic, elastic, and superconducting properties of the iron pnictides SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID UNDERDOPED CUPRATE SUPERCONDUCTORS; HIGH-TEMPERATURE SUPERCONDUCTIVITY; WEAK PSEUDOGAP BEHAVIOR; DETWINNED BA(FE1-XCOX)(2)AS-2; SYMMETRY-BREAKING; CHARGE DYNAMICS; FERMI-SURFACE; TRANSITION; RESISTIVITY; FERROPNICTIDES AB We investigate how emergent nematic order and nematic fluctuations affect several macroscopic properties of both the normal and superconducting states of the iron pnictides. Due to its magnetic origin, long-range nematic order enhances magnetic fluctuations, leaving distinctive signatures in the spin-lattice relaxation rate, the spin-spin correlation function, and the uniform magnetic susceptibility. This enhancement of magnetic excitations is also manifested in the electronic spectral function, where a pseudogap can open at the hot spots of the Fermi surface. In the nematic phase, electrons are scattered by magnetic fluctuations that are anisotropic in momentum space, giving rise to a non-zero resistivity anisotropy whose sign changes between electron-doped and hole-doped compounds. We also show that due to the magneto-elastic coupling, nematic fluctuations soften the shear modulus in the normal state, but harden it in the superconducting state. The latter effect is an indirect consequence of the competition between magnetism and superconductivity, and also causes a suppression of the orthorhombic distortion below T-c. We also demonstrate that ferro-orbital fluctuations enhance the nematic susceptibility, cooperatively promoting an electronic tetragonal symmetry-breaking. Finally, we argue that T-c in the iron pnictides might be enhanced due to nematic fluctuations of magnetic origin. C1 [Fernandes, Rafael M.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Fernandes, Rafael M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Schmalian, Joerg] Karlsruhe Inst Technol, Inst Theory Condensed Matter Phys, D-76131 Karlsruhe, Germany. [Schmalian, Joerg] Karlsruhe Inst Technol, Ctr Funct Nanostruct, D-76131 Karlsruhe, Germany. RP Fernandes, RM (reprint author), Columbia Univ, Dept Phys, New York, NY 10027 USA. EM rafaelmf@phys.columbia.edu RI Fernandes, Rafael/E-9273-2010; Schmalian, Joerg/H-2313-2011 FU NSF Partnerships for International Research and Education (PIRE) program [OISE-0968226] FX We would like to thank E Abrahams, M Allan, J Analytis, E Bascones, A Bohmer, B Buchner, P Canfield, P Chandra, A Chubukov, J-H Chu, L Degiorgi, I Eremin, I Fisher, A Goldman, V Keppens, J Knolle, A Kreyssig, R McQueeney, D Mandrus, Y Matsuda, I Mazin, C Meingast, A Millis, S Nandi, I Paul, D Pratt, R Prozorov, T Shibauchi, M Tanatar, and Z Tesanovic for fruitful discussions. RFM is supported by the NSF Partnerships for International Research and Education (PIRE) program OISE-0968226. NR 115 TC 80 Z9 80 U1 7 U2 38 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 AUG PY 2012 VL 25 IS 8 AR 084005 DI 10.1088/0953-2048/25/8/084005 PG 17 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100006 ER PT J AU Prozorov, R Chubukov, A Meingast, C Putti, M AF Prozorov, Ruslan Chubukov, Andrey Meingast, Christoph Putti, Marina TI Focus on superconductivity in Fe-based systems PREFACE SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Editorial Material C1 [Prozorov, Ruslan] US DOE, Ames Lab, Washington, DC 20585 USA. [Prozorov, Ruslan] Iowa State Univ, Ames, IA 50011 USA. [Chubukov, Andrey] Univ Wisconsin, Madison, WI 53706 USA. [Meingast, Christoph] Karlsruhe Inst Technol, Karlsruhe, Germany. [Putti, Marina] Univ Genoa, Genoa, Italy. RP Prozorov, R (reprint author), US DOE, Ames Lab, Washington, DC 20585 USA. RI Prozorov, Ruslan/A-2487-2008; Putti, Marina/N-2844-2014 OI Prozorov, Ruslan/0000-0002-8088-6096; Putti, Marina/0000-0002-4529-1708 NR 0 TC 0 Z9 0 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2012 VL 25 IS 8 AR 080301 DI 10.1088/0953-2048/25/9/080301 PG 2 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100001 ER PT J AU Reid, JP Juneau-Fecteau, A Gordon, RT de Cotret, SR Doiron-Leyraud, N Luo, XG Shakeripour, H Chang, J Tanatar, MA Kim, H Prozorov, R Saito, T Fukazawa, H Kohori, Y Kihou, K Lee, CH Iyo, A Eisaki, H Shen, B Wen, HH Taillefer, L AF Reid, J-Ph Juneau-Fecteau, A. Gordon, R. T. de Cotret, S. Rene Doiron-Leyraud, N. Luo, X. G. Shakeripour, H. Chang, J. Tanatar, M. A. Kim, H. Prozorov, R. Saito, T. Fukazawa, H. Kohori, Y. Kihou, K. Lee, C. H. Iyo, A. Eisaki, H. Shen, B. Wen, H-H Taillefer, Louis TI From d-wave to s-wave pairing in the iron-pnictide superconductor (Ba, K)Fe2As2 SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID QUASI-PARTICLE TRANSPORT; THERMAL-CONDUCTIVITY; VORTEX STATE; YBA2CU3O6.9 AB The nature of the pairing state in iron-based superconductors is the subject of much debate. Here we argue that in one material, the stoichiometric iron pnictide KFe2As2, there is overwhelming evidence for a d-wave pairing state, characterized by symmetry-imposed vertical line nodes in the superconducting gap. This evidence is reviewed, with a focus on thermal conductivity and the strong impact of impurity scattering on the critical temperature T-c. We then compare KFe2As2 to Ba0.6K0.4Fe2As2, obtained by Ba substitution, where the pairing symmetry is s-wave and the T-c is ten times higher. The transition from d-wave to s-wave within the same crystal structure provides a rare opportunity to investigate the connection between band structure and the pairing mechanism. We also compare KFe2As2 with the nodal iron-based superconductor LaFePO, for which the pairing symmetry is probably not d-wave, but more likely s-wave with accidental line nodes. C1 [Reid, J-Ph; Juneau-Fecteau, A.; Gordon, R. T.; de Cotret, S. Rene; Doiron-Leyraud, N.; Luo, X. G.; Shakeripour, H.; Chang, J.; Taillefer, Louis] Univ Sherbrooke, Dept Phys, Sherbrooke, PQ J1K 2R1, Canada. [Reid, J-Ph; Juneau-Fecteau, A.; Gordon, R. T.; de Cotret, S. Rene; Doiron-Leyraud, N.; Luo, X. G.; Shakeripour, H.; Chang, J.; Taillefer, Louis] Univ Sherbrooke, RQMP, Sherbrooke, PQ J1K 2R1, Canada. [Tanatar, M. A.; Kim, H.; Prozorov, R.] US DOE, Ames Lab, Ames, IA 50011 USA. [Tanatar, M. A.; Kim, H.; Prozorov, R.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Saito, T.; Fukazawa, H.; Kohori, Y.] Chiba Univ, Chiba, Japan. [Kihou, K.; Lee, C. H.; Iyo, A.; Eisaki, H.] Natl Inst Adv Ind Sci & Technol, Tokyo, Japan. [Shen, B.; Wen, H-H] Nanjing Univ, Natl Lab Solid State Microstruct, Ctr Superconducting Phys & Mat, Nanjing 210093, Peoples R China. [Shen, B.; Wen, H-H] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China. [Wen, H-H; Taillefer, Louis] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. RP Reid, JP (reprint author), Univ Sherbrooke, Dept Phys, Sherbrooke, PQ J1K 2R1, Canada. EM louis.taillefer@usherbrooke.ca RI Prozorov, Ruslan/A-2487-2008; Chang, Johan/F-1506-2014; Shen, Bing/G-6514-2016 OI Prozorov, Ruslan/0000-0002-8088-6096; Chang, Johan/0000-0002-4655-1516; FU Canada Research Chair; CIFAR; NSERC; CFI; FQRNT; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; MEXT [21540351, 22684016]; JSPS; MEXT, Global COE [20102005, 21102505]; Chiba University; NSFC; MOST of China [2011CBA00100] FX We thank A Carrington, A Chubukov, R W Hill, P J Hirschfeld, S Y Li, M Sutherland, R Thomale and I Vekhter for fruitful discussions and J Corbin for his assistance with the experiments. The work at Sherbrooke was supported by a Canada Research Chair, CIFAR, NSERC, CFI and FQRNT. The work at Ames was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under contract No. DE-AC02-07CH11358. The work in Japan was supported by Grants-in-Aid for Scientific Research (Nos 21540351 and 22684016) from MEXT and JSPS and Innovative Areas 'Heavy Electrons' (Nos 20102005 and 21102505) from MEXT, Global COE and AGGST financial support program from Chiba University. The work in China was supported by NSFC and the MOST of China (#2011CBA00100). NR 54 TC 46 Z9 46 U1 0 U2 41 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 AUG PY 2012 VL 25 IS 8 AR 084013 DI 10.1088/0953-2048/25/8/084013 PG 10 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100014 ER PT J AU Saparov, B Mitchell, JE Sefat, AS AF Saparov, Bayrammurad Mitchell, Jonathan E. Sefat, Athena S. TI Properties of binary transition-metal arsenides (TAs) SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID MNAS-CRAS SYSTEM; THERMODYNAMIC PROPERTIES; MAGNETIC STRUCTURE; HEAT-CAPACITY; STRUCTURAL-PROPERTIES; ENTHALPY INCREMENTS; CRYSTAL STRUCTURE; SINGLE-CRYSTALS; PHASE-DIAGRAM; HIGH-PRESSURE AB We present thermodynamic and transport properties of transition-metal (T) arsenides, TAs, with T = Sc to Ni (3d), Zr, Nb, Ru (4d), Hf and Ta (5d). Characterization of these binaries is carried out with powder x-ray diffraction, temperature-and field-dependent magnetization and resistivity, temperature-dependent heat capacity, Seebeck coefficient, and thermal conductivity. All binaries show metallic behavior except TaAs and RuAs. TaAs, NbAs, ScAs and ZrAs are diamagnetic, while CoAs, VAs, TiAs, NiAs and RuAs show approximately Pauli paramagnetic behavior. FeAs and CrAs undergo antiferromagnetic ordering below T-N approximate to 71 K and T-N approximate to 260 K, respectively. MnAs is a ferromagnet below T-C approximate to 317 K and undergoes hexagonal-orthorhombic-hexagonal transitions at T-S approximate to 317 K and 384 K, respectively. For TAs, Seebeck coefficients vary between +40 and -40 mu V K-1 in the 2-300 K range, whereas thermal conductivity values stay below 18 W m(-1) K-1. The Sommerfeld coefficients gamma are less than 10 mJ K-2 mol(-1). At room temperature with application of 8 T magnetic field, large positive magnetoresistance is found for TaAs (similar to 25%), MnAs (similar to 90%) and NbAs (similar to 75%). C1 [Saparov, Bayrammurad; Mitchell, Jonathan E.; Sefat, Athena S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Saparov, B (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. EM sefata@ornl.gov RI Sefat, Athena/R-5457-2016 OI Sefat, Athena/0000-0002-5596-3504 FU Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. We acknowledge Andrew F May for his assistance with heat capacity data analysis. NR 68 TC 18 Z9 18 U1 10 U2 110 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2012 VL 25 IS 8 AR 084016 DI 10.1088/0953-2048/25/8/084016 PG 10 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100017 ER PT J AU Trommler, S Hanisch, J Matias, V Huhne, R Reich, E Iida, K Haindl, S Schultz, L Holzapfel, B AF Trommler, S. Haenisch, J. Matias, V. Huehne, R. Reich, E. Iida, K. Haindl, S. Schultz, L. Holzapfel, B. TI Architecture, microstructure and J(c) anisotropy of highly oriented biaxially textured Co-doped BaFe2As2 on Fe/IBAD-MgO-buffered metal tapes SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID THIN-FILMS; SUPERCONDUCTORS AB Optimized, biaxially textured BaFe1.8Co0.2As2 thin films with an in-plane alignment of 1.7 degrees have been realized on high-quality IBAD-textured MgO-coated technical substrates utilizing additional Fe buffer layers. High critical current densities (J(c)) were achieved, comparable to films on single crystalline MgO (J(c) >= 1 MA cm(-2) at 4 K, self-field). Transmission electron microscopy investigations reveal a small number of c-axis correlated defects introduced by the MgO template. The effect of these defects on the J(c) anisotropy was determined in angular-dependent electronic transport measurements. C1 [Trommler, S.; Haenisch, J.; Huehne, R.; Reich, E.; Iida, K.; Haindl, S.; Schultz, L.; Holzapfel, B.] IFW Dresden, D-01171 Dresden, Germany. [Trommler, S.; Schultz, L.] Tech Univ Dresden, Inst Phys Solids, Dept Phys, D-01062 Dresden, Germany. [Matias, V.] Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. [Holzapfel, B.] TU Bergakad Freiberg, D-09596 Freiberg, Germany. RP Trommler, S (reprint author), IFW Dresden, POB 270116, D-01171 Dresden, Germany. EM s.trommler@ifw-dresden.de; vlado@iBeamMaterials.com RI Hanisch, Jens/D-8503-2011; Schultz, Ludwig/B-3383-2010; Iida, Kazumasa/C-5702-2013; Huhne, Ruben/E-5017-2011 OI Iida, Kazumasa/0000-0003-1038-9630; FU DFG [HU1726/2]; European Commission [283204] FX This work was partially supported by the DFG under grant no. HU1726/2 and by the European Commission under project SUPERIRON, grant no. 283204. The authors thank M Kuhnel and U Besold for their technical support, A Kauffmann for helpful discussions and T Thersleff for scientific input into the TEM investigations. NR 20 TC 20 Z9 20 U1 1 U2 26 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2012 VL 25 IS 8 AR 084019 DI 10.1088/0953-2048/25/8/084019 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100020 ER PT J AU van der Beek, CJ Konczykowski, M Prozorov, R AF van der Beek, C. J. Konczykowski, M. Prozorov, R. TI Anisotropy of strong pinning in multi-band superconductors SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; LOCK-IN TRANSITION; FLUX-LINE-LATTICE; II SUPERCONDUCTORS; LAYERED SUPERCONDUCTORS; BOSON LOCALIZATION; COLUMNAR DEFECTS; SINGLE-CRYSTALS; VORTEX LINE; YBA2CU3O7-DELTA AB The field-angular dependence and anisotropy of the critical current density in iron-based superconductors is evaluated using a phenomenological approach featuring distinct anisotropy factors for the penetration depth and the coherence length. Both the weak collective pinning limit and the strong pinning limit relevant for iron-based superconductors at low magnetic fields are considered. It is found that in the more anisotropic materials, such as SmFeAsO and NdFeAsO, the field-angular dependence is completely dominated by the coherence length (upper critical field) anisotropy, thereby explaining recent results on the critical current in these materials. In less anisotropic superconductors, strong pinning can lead to an apparent inversion of the anisotropy. Finally, it is shown that, under all circumstances, the ratio of the c-axis and ab-plane critical current densities for the magnetic field along the ab-plane directly yields the coherence length anisotropy factor epsilon(xi). C1 [van der Beek, C. J.; Konczykowski, M.] Ecole Polytech, CNRS UMR 7642, Solides Irradies Lab, F-91128 Palaiseau, France. [van der Beek, C. J.; Konczykowski, M.] Ecole Polytech, CEA DSM IRAMIS, F-91128 Palaiseau, France. [Prozorov, R.] US DOE, Ames Lab, Ames, IA 50011 USA. [Prozorov, R.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP van der Beek, CJ (reprint author), Ecole Polytech, CNRS UMR 7642, Solides Irradies Lab, F-91128 Palaiseau, France. EM kees.vanderbeek@polytechnique.edu RI Prozorov, Ruslan/A-2487-2008 OI Prozorov, Ruslan/0000-0002-8088-6096 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; National Creative Research Initiative [2010-0018300]; Ecole Polytechnique FX Work at Ames Laboratory was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under contract No. DE-AC02-07CH11358. Work at SNU was supported by National Creative Research Initiative (2010-0018300). The work of R Prozorov in Palaiseau was funded by the St Gobain chair of the Ecole Polytechnique. C J van der Beek and M Konczykowski acknowledge the hospitality of Ames Lab and Iowa State University during the preparation of this work. NR 57 TC 19 Z9 19 U1 1 U2 29 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2012 VL 25 IS 8 AR 084010 DI 10.1088/0953-2048/25/8/084010 PG 10 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100011 ER PT J AU Yin, WG Lee, CC Ku, W AF Yin, Wei-Guo Lee, Chi-Cheng Ku, Wei TI Magnetic softness in iron-based superconductors SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID EXCHANGE AB We examine the relevance of several major material-dependent parameters to the magnetic softness in iron-based superconductors by means of first-principles electronic structure analysis of their parent compounds. The results are explained in the spin-fermion model where localized spins and orbitally degenerate itinerant electrons coexist and are coupled by Hund's rule coupling. We found that the difference in strength of the Hund's rule coupling term is the major material-dependent microscopic parameter for determining the ground-state spin pattern. The magnetic softness in iron-based superconductors is essentially driven by the competition between the double-exchange ferromagnetism and the superexchange antiferromagnetism. C1 [Yin, Wei-Guo; Lee, Chi-Cheng; Ku, Wei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Yin, WG (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM wyin@bnl.gov RI Yin, Weiguo/A-9671-2014 OI Yin, Weiguo/0000-0002-4965-5329 FU US Department of Energy, Office of Basic Energy Science [DE-AC02-98CH10886] FX This work was supported by the US Department of Energy, Office of Basic Energy Science, under Contract No. DE-AC02-98CH10886. NR 42 TC 2 Z9 2 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2012 VL 25 IS 8 AR 084007 DI 10.1088/0953-2048/25/8/084007 PG 5 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100008 ER PT J AU Zocco, DA Tutun, DY Hamlin, JJ Jeffries, JR Weir, ST Vohra, YK Maple, MB AF Zocco, D. A. Tuetuen, D. Y. Hamlin, J. J. Jeffries, J. R. Weir, S. T. Vohra, Y. K. Maple, M. B. TI High pressure transport studies of the LiFeAs analogs CuFeTe2 and Fe2As SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID SUPERCONDUCTIVITY; COMPOUND; TEMPERATURE AB We have synthesized two iron-pnictide/chalcogenide materials, CuFeTe2 and Fe2As, which share crystallographic features with known iron-based superconductors, and carried out high pressure electrical resistivity measurements on these materials to pressures in excess of 30 GPa. Both compounds crystallize in the Cu2Sb-type crystal structure that is characteristic of LiFeAs (with CuFeTe2 exhibiting a disordered variant). At ambient pressure, CuFeTe2 is a semiconductor and has been suggested to exhibit a spin-density-wave transition, while Fe2As is a metallic antiferromagnet. The electrical resistivity of CuFeTe2, measured at 4 K, decreases by almost two orders of magnitude between ambient pressure and 2.4 GPa. At 34 GPa, the electrical resistivity decreases upon cooling the sample below 150 K, suggesting the proximity of the compound to a metal-insulator transition. Neither CuFeTe2 nor Fe2As superconduct above 1.1 K throughout the measured pressure range. C1 [Zocco, D. A.; Tuetuen, D. Y.; Hamlin, J. J.; Maple, M. B.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Jeffries, J. R.; Weir, S. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Vohra, Y. K.] Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA. RP Zocco, DA (reprint author), Karlsruher Inst Technol, Inst Festkorperphys IFP, Eggenstein Leopoldshafen, Germany. EM mbmaple@ucsd.edu RI Weir, Samuel/H-5046-2012; Zocco, Diego/O-3440-2014 FU National Nuclear Security Administration under the Stewardship Science Academic Alliance program through the US Department of Energy [DE-52-09NA29459]; AFOSR-MURI [FA9550-09-1-0603]; DOE [DE-FG02-04-ER46105]; US Department of Energy (DOE), National Nuclear Security Administration (NNSA) [DE-AC52-07NA27344]; DOE-NNSA [DE-FG52-10NA29660]; Scientific and Technological Research Council of Turkey (TUBITAK) FX High pressure research at the University of California, San Diego, was supported by the National Nuclear Security Administration under the Stewardship Science Academic Alliance program through the US Department of Energy grant number DE-52-09NA29459. Sample synthesis was supported by AFOSR-MURI, Grant FA9550-09-1-0603, while physical properties characterization at ambient pressure was supported by DOE Grant DE-FG02-04-ER46105. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the US Department of Energy (DOE), National Nuclear Security Administration (NNSA), under Contract No. DE-AC52-07NA27344. YKV acknowledges support from DOE-NNSA Grant No. DE-FG52-10NA29660. DYT thanks The Scientific and Technological Research Council of Turkey (TUBITAK) for partial support. NR 31 TC 4 Z9 4 U1 2 U2 32 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 AUG PY 2012 VL 25 IS 8 AR 084018 DI 10.1088/0953-2048/25/8/084018 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 975IO UT WOS:000306505100019 ER PT J AU Laberge, RM Zhou, LL Sarantos, MR Rodier, F Freund, A de Keizer, PLJ Liu, S Demaria, M Cong, YS Kapahi, P Desprez, PY Hughes, RE Campisi, J AF Laberge, Remi-Martin Zhou, Lili Sarantos, Melissa R. Rodier, Francis Freund, Adam de Keizer, Peter L. J. Liu, Su Demaria, Marco Cong, Yu-Sheng Kapahi, Pankaj Desprez, Pierre-Yves Hughes, Robert E. Campisi, Judith TI Glucocorticoids suppress selected components of the senescence-associated secretory phenotype SO AGING CELL LA English DT Article DE aging; cancer; inflammation; IL-6; IL-8; MMP-3 ID INFLAMMATORY CYTOKINE SECRETION; ONCOGENE-INDUCED SENESCENCE; CELLULAR SENESCENCE; CANCER; CELLS; MECHANISMS; GROWTH; IL-1-ALPHA; REGULATOR; FIBROSIS AB Cellular senescence suppresses cancer by arresting the proliferation of cells at risk for malignant transformation. Recently, senescent cells were shown to secrete numerous cytokines, growth factors, and proteases that can alter the tissue microenvironment and may promote age-related pathology. To identify small molecules that suppress the senescence-associated secretory phenotype (SASP), we developed a screening protocol using normal human fibroblasts and a library of compounds that are approved for human use. Among the promising library constituents was the glucocorticoid corticosterone. Both corticosterone and the related glucocorticoid cortisol decreased the production and secretion of selected SASP components, including several pro-inflammatory cytokines. Importantly, the glucocorticoids suppressed the SASP without reverting the tumor suppressive growth arrest and were efficacious whether cells were induced to senesce by ionizing radiation or strong mitogenic signals delivered by oncogenic RAS or MAP kinase kinase 6 overexpression. Suppression of the prototypical SASP component IL-6 required the glucocorticoid receptor, which, in the presence of ligand, inhibited IL-1a signaling and NF-?B transactivation activity. Accordingly, co-treatments combining glucocorticoids with the glucocorticoid antagonist RU-486 or recombinant IL-1a efficiently reestablished NF-?B transcriptional activity and IL-6 secretion. Our findings demonstrate feasibility of screening for compounds that inhibit the effects of senescent cells. They further show that glucocorticoids inhibit selected components of the SASP and suggest that corticosterone and cortisol, two FDA-approved drugs, might exert their effects in part by suppressing senescence-associated inflammation. C1 [Laberge, Remi-Martin; Zhou, Lili; Sarantos, Melissa R.; Freund, Adam; de Keizer, Peter L. J.; Liu, Su; Demaria, Marco; Kapahi, Pankaj; Desprez, Pierre-Yves; Hughes, Robert E.; Campisi, Judith] Buck Inst Res Aging, Novato, CA 94945 USA. [Zhou, Lili; Cong, Yu-Sheng] Beijing Normal Univ, Inst Cell Biol, Coll Life Sci, Beijing 100875, Peoples R China. [Rodier, Francis] Univ Montreal, Dept Radiol, Inst Canc Montreal, CRCHUM, Montreal, PQ H2L 4M1, Canada. [Desprez, Pierre-Yves] Calif Pacific Med Ctr, Res Inst, San Francisco, CA 94107 USA. [Campisi, Judith] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Campisi, J (reprint author), Buck Inst Res Aging, 8001 Redwood Blvd, Novato, CA 94945 USA. EM jcampisi@buckinstitute.org OI Demaria, Marco/0000-0002-8429-4813 FU Buck Institute for Research on Aging; Dutch Cancer Society; Ministry of Science and Technology of China [2012CB911203]; US National Institutes of Health [AG025901, AG09909, AG017242] FX This work was supported by funds from the Buck Institute for Research on Aging (to REH) and grants from the Dutch Cancer Society (to PLJK), the Ministry of Science and Technology of China (2012CB911203 to YSC), and the US National Institutes of Health (AG025901 to PK and JC, and AG09909 and AG017242 to JC). The authors report no financial or other conflict of interest relevant to the subject of this article. NR 42 TC 43 Z9 44 U1 0 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1474-9718 J9 AGING CELL JI Aging Cell PD AUG PY 2012 VL 11 IS 4 BP 569 EP 578 DI 10.1111/j.1474-9726.2012.00818.x PG 10 WC Cell Biology; Geriatrics & Gerontology SC Cell Biology; Geriatrics & Gerontology GA 973ZY UT WOS:000306400600002 PM 22404905 ER PT J AU Liu, XH Wang, JW Liu, Y Zheng, H Kushima, A Huang, S Zhu, T Mao, SX Li, J Zhang, SL Lu, W Tour, JM Huang, JY AF Liu, Xiao Hua Wang, Jiang Wei Liu, Yang Zheng, He Kushima, Akihiro Huang, Shan Zhu, Ting Mao, Scott X. Li, Ju Zhang, Sulin Lu, Wei Tour, James M. Huang, Jian Yu TI In situ transmission electron microscopy of electrochemical lithiation, delithiation and deformation of individual graphene nanoribbons SO CARBON LA English DT Article ID AUGMENTED-WAVE METHOD; CARBON NANOTUBES; ION BATTERIES; ENERGY; NANOWIRES; CAPACITY; STORAGE AB We report an in situ transmission electron microscopy study of the electrochemical behavior of few-layer graphene nanoribbons (GNRs) synthesized by longitudinal splitting the multi-walled carbon nanotubes (MWCNTs). Upon lithiation, the GNRs were covered by a nanocrystalline lithium oxide layer attached to the surfaces and edges of the GNRs, most of which were removed upon delithiation, indicating that the lithiation/delithiation processes occurred predominantly at the surfaces of GNRs. The lithiated GNRs were mechanically robust during the tension and compression tests, in sharp contrast to the easy and brittle fracture of the lithiated MWCNTs. This difference is attributed to the unconfined stacking of planar carbon layers in GNRs leading to a weak coupling between the intralayer and interlayer deformations, as opposed to the cylindrically confined carbon nanotubes where the interlayer lithium produces large tensile hoop stresses within the circumferentially-closed carbon layers, causing the ease of brittle fracture. These results suggest substantial promise of graphene for building durable batteries. (c) 2012 Elsevier Ltd. All rights reserved. C1 [Liu, Xiao Hua; Liu, Yang; Huang, Jian Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87185 USA. [Wang, Jiang Wei; Zheng, He; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Kushima, Akihiro; Li, Ju] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Kushima, Akihiro; Li, Ju] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Huang, Shan; Zhu, Ting] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Zhang, Sulin] Penn State Univ, Dept Engn Sci & Mech, University Pk, PA 16802 USA. [Lu, Wei; Tour, James M.] Rice Univ, Dept Mech Engn & Mat Sci, Dept Chem, Houston, TX 77005 USA. [Lu, Wei; Tour, James M.] Rice Univ, Smalley Inst Nanoscale Sci & Technol, Houston, TX 77005 USA. [Zheng, He] Wuhan Univ, Sch Phys & Technol, Ctr Electron Microscopy, Wuhan 430072, Peoples R China. [Zheng, He] Wuhan Univ, MOE Key Lab Artificial Micro & Nanostruct, Wuhan 430072, Peoples R China. RP Huang, JY (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, POB 5800, Albuquerque, NM 87185 USA. EM jhuang@sandia.gov RI Li, Ju/A-2993-2008; Wang, Jiangwei/F-8249-2011; Zheng, He/E-2964-2012; Liu, Yang/C-9576-2012; Zhu, Ting/A-2206-2009; Liu, Xiaohua/A-8752-2011; Zhang, Sulin /E-6457-2010; Lu, Wei /D-1751-2012; Kushima, Akihiro/H-2347-2011; OI Li, Ju/0000-0002-7841-8058; Wang, Jiangwei/0000-0003-1191-0782; Zheng, He/0000-0002-6476-8524; Liu, Xiaohua/0000-0002-7300-7145; Lu, Wei /0000-0003-4504-7083; Tour, James/0000-0002-8479-9328 FU Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories (SNL); Nanostructures for Electrical Energy Storage (NEES); Energy Frontier Research Center (EFRC); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DESC0001160]; LDRD; NEES center; Sandia-Los Alamos Center for Integrated Nanotechnologies (CINT); U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; NSF [CMMI-0758554, 1100205, CMMI-0728069, DMR-1008104, DMR-1120901, AFOSR FA9550-08-1-0325]; Sandia National Laboratory [1100745]; Air Force Office of Scientific Research [FA9550-09-1-0581]; ONR MURI graphene program [00006766, N00014-09-1-1066]; NSF grant [CMMI-0900692] FX Portions of this work were supported by a Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories (SNL) and partly by Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DESC0001160. The LDRD supported the development and fabrication of platforms. The NEES center supported the development of TEM techniques. The Sandia-Los Alamos Center for Integrated Nanotechnologies (CINT) supported the TEM capability. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. T.Z. acknowledges support by NSF CMMI-0758554 and 1100205. A.K. and J.L. acknowledge support by NSF CMMI-0728069, DMR-1008104, DMR-1120901 and AFOSR FA9550-08-1-0325. The work at Rice University was supported by Sandia National Laboratory (1100745), funded by the Air Force Office of Scientific Research (FA9550-09-1-0581) and the ONR MURI graphene program (00006766, N00014-09-1-1066). S.Z. acknowledges support by NSF grant CMMI-0900692. NR 32 TC 40 Z9 41 U1 9 U2 97 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD AUG PY 2012 VL 50 IS 10 BP 3836 EP 3844 DI 10.1016/j.carbon.2012.04.025 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 966QE UT WOS:000305851700055 ER PT J AU Wang, MX Liu, Q Sun, HF Stach, EA Zhang, HY Stanciu, L Xie, J AF Wang, Mei-xian Liu, Qi Sun, Hong-fang Stach, Eric A. Zhang, Hangyu Stanciu, Lia Xie, Jian TI Preparation of high-surface-area carbon nanoparticle/graphene composites SO CARBON LA English DT Article ID GRAPHENE OXIDE PAPER; ELECTROCHEMICAL CAPACITORS; SUPERCAPACITORS; NANOSHEETS; ELECTRODE; SHEETS; ULTRACAPACITORS; FILMS AB A method has been developed for synthesizing high-surface-area carbon nanoparticle/graphene composites. Functionalized carbon nanoparticles were anchored to the graphene planes and function as spacers to prevent the restacking of graphene sheets during drying. The composite has a layered structure in which functionalized carbon nanoparticles are sandwiched between graphene stacks. This layering leads to a porous structure with a specific surface area as high as 1256 m(2)/g. Such a structure provides easy access to both sides of the graphene for either gas or liquid species and allows their fast transfer. A specific capacitance as high as 324.6 F/g at a current density of 0.3 A/g was achieved using the composites in a supercapacitor. (c) 2012 Elsevier Ltd. All rights reserved. C1 [Wang, Mei-xian; Liu, Qi; Xie, Jian] Indiana Univ Purdue Univ, Purdue Sch Engn & Technol, Dept Mech Engn, Indianapolis, IN 46202 USA. [Sun, Hong-fang; Zhang, Hangyu; Stanciu, Lia] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Xie, J (reprint author), Indiana Univ Purdue Univ, Purdue Sch Engn & Technol, Dept Mech Engn, Indianapolis, IN 46202 USA. EM jianxie@iupui.edu RI Stach, Eric/D-8545-2011 OI Stach, Eric/0000-0002-3366-2153 FU multi-disciplinary Undergraduate Research Initiative (MURI) of Indiana University Purdue University Indianapolis (IUPUI); Center for Functional Nanomaterials of Brookhaven National Laboratory (US-DOE) [DE-AC02-98CH10886] FX This work was partially supported by the multi-disciplinary Undergraduate Research Initiative (MURI) of Indiana University Purdue University Indianapolis (IUPUI). The authors acknowledge the entire Electronic and Electrochemical Materials and Devices group for helpful discussion relating to this project. This research was also carried out in part at the Center for Functional Nanomaterials of Brookhaven National Laboratory (US-DOE contract DE-AC02-98CH10886). NR 30 TC 35 Z9 37 U1 1 U2 87 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD AUG PY 2012 VL 50 IS 10 BP 3845 EP 3853 DI 10.1016/j.carbon.2012.04.026 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 966QE UT WOS:000305851700056 ER PT J AU Um, ES Harris, JM Alumbaugh, DL AF Um, Evan Schankee Harris, Jerry M. Alumbaugh, David L. TI An iterative finite element time-domain method for simulating three-dimensional electromagnetic diffusion in earth SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Numerical solutions; Electromagnetic theory; Marine electromagnetics ID DIFFERENCE; INVERSION; GERMANY; FIELD; AREA AB An iterative finite element time-domain (FETD) method has been developed for simulating transient electromagnetic fields in 3-D diffusive earth media and has been verified through comparisons with analytic and finite-difference time-domain solutions. The adaptive time step doubling (ATSD) method plays an important role in reducing solution run-time by allowing large time steps in late time when high-frequency electric fields are increasingly attenuated in the Earth. We demonstrate that for the ATSD method to work effectively, the conductivity of the air and a drop tolerance of a preconditioner should be carefully selected. The conductivity of the air should not be too large for accurate simulations but also not too small for avoiding ill conditioning that results in error amplification in the ATSD method. A proper drop tolerance keeps the eigenvalues of the preconditioned FETD matrices clustered when a time step size is successively doubled during the ATSD processes, resulting in the convergence of iterative solutions with the reasonable number of iterations. A rule of thumb for determining the conductivity of the air and the drop tolerance has been presented. We also present the simultaneous multiple-sources modelling (SM2) approach. The SM2 approach simultaneously advances the electric fields excited by multiple individual sources in a single time stepping loop. This approach allows multiple sources to share the same preconditioner in the time stepping loop and improves the simulation efficiency per a survey line. C1 [Um, Evan Schankee] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Geophys, Berkeley, CA 94720 USA. [Harris, Jerry M.] Stanford Univ, Dept Geophys, Stanford, CA 94305 USA. [Alumbaugh, David L.] Chevron Energy Technol, San Ramon, CA 94583 USA. RP Um, ES (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Geophys, Berkeley, CA 94720 USA. EM evanum@gmail.com RI Um, Evan/E-9414-2015 FU Earth Sciences Division FX This work was carried out at Lawrence Berkeley National Laboratory. Um was supported by Early Career Development Grants from Earth Sciences Division. Editor Dr. Gary Egbert and reviewers Drs. Antje Franke and Souvik Mukherjee provided helpful suggestions for improving this manuscript. NR 36 TC 12 Z9 14 U1 0 U2 15 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X J9 GEOPHYS J INT JI Geophys. J. Int. PD AUG PY 2012 VL 190 IS 2 BP 871 EP 886 DI 10.1111/j.1365-246X.2012.05540.x PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 972LR UT WOS:000306279100011 ER PT J AU Leskinen, SD Kearns, EA Jones, WL Miller, RS Bevitas, CR Kingsley, MT Brigmon, RL Lim, DV AF Leskinen, S. D. Kearns, E. A. Jones, W. L. Miller, R. S. Bevitas, C. R. Kingsley, M. T. Brigmon, R. L. Lim, D. V. TI Automated dead-end ultrafiltration of large volume water samples to enable detection of low-level targets and reduce sample variability SO JOURNAL OF APPLIED MICROBIOLOGY LA English DT Article DE detection; environmental; recreational water; indicators; Legionella; water quality ID BIOSENSOR DETECTION; PATHOGEN DETECTION; SOURCE TRACKING; DRINKING-WATER; ENTEROCOCCI; VIRUSES; FLORIDA; LEGIONELLA; MICROBES; RECOVERY AB Aims A Portable Multi-use Automated Concentration System (PMACS) concentrates micro-organisms from large volumes of water through automated dead-end ultrafiltration and backflushing. The ability to detect microbial targets from ground, surface and cooling tower waters collected using standard methods was compared with samples from the PMACS in this study. Methods and Results PMACS (100 similar to l) and standard grab samples (100500 similar to ml) were collected from sites in Florida and South Carolina, USA. Samples were analysed for the presence of faecal indicator bacteria (FIB; ground and surface water) or Legionella pneumophila (Lp; cooling tower water). FIB were enumerated by growth on selective media following membrane filtration or in IDEXX defined substrate media. Lp cells were detected by direct fluorescence immunoassay using FITC-labelled monoclonal antibodies targeting serogroups 1, 2, 4 and 6. FIB were found in PMACS samples from ground and surface waters when their concentrations were below detection limits in grab samples. The concentrations of Lp in cooling tower samples collected over 5 similar to months were more consistent in PMACS samples than grab samples. Conclusions These data demonstrate that PMACS concentration is advantageous for water monitoring. FIB were detected in PMACS samples when their concentrations were below the detection limits of the standard methods used. PMACS processing provided more representative samples of cooling tower waters reducing sample variability during long-term monitoring. Significance and Impact of the Study This study highlights the utility of PMACS processing for enhanced monitoring of water for low-level microbial targets and for reducing sample variability in long-term monitoring programmes. C1 [Leskinen, S. D.; Kearns, E. A.; Lim, D. V.] Univ S Florida, Dept Cell Biol Microbiol & Mol Biol, Tampa, FL 33620 USA. [Jones, W. L.; Miller, R. S.; Bevitas, C. R.; Kingsley, M. T.; Brigmon, R. L.] Savannah River Natl Lab, Aiken, SC USA. RP Leskinen, SD (reprint author), Univ S Florida, Dept Cell Biol Microbiol & Mol Biol, 4202 E Fowler Ave, Tampa, FL 33620 USA. EM leskinen@usf.edu FU US Army Research, Development and Engineering Command; US Department of Energy [DE-AC09-08SR22470]; Laboratory Directed Research and Development Programme through the Savannah River National Laboratory FX This research was supported in part by the US Army Research, Development and Engineering Command. It was also accomplished under Contract No. DE-AC09-08SR22470 with the US Department of Energy and in part by the Laboratory Directed Research and Development Programme through the Savannah River National Laboratory. NR 31 TC 9 Z9 10 U1 2 U2 35 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1364-5072 J9 J APPL MICROBIOL JI J. Appl. Microbiol. PD AUG PY 2012 VL 113 IS 2 BP 351 EP 360 DI 10.1111/j.1365-2672.2012.05345.x PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 974AF UT WOS:000306401300013 PM 22607480 ER PT J AU Kruizenga, A Li, HZ Anderson, M Corradini, M AF Kruizenga, Alan Li, Hongzhi Anderson, Mark Corradini, Michael TI Supercritical Carbon Dioxide Heat Transfer in Horizontal Semicircular Channels SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE supercritical fluids; heat transfer; printed circuit heat exchanger; carbon dioxide; experiments; turbulent flow; heat convection; CFD modeling ID PRESSURE-DROP CHARACTERISTICS; COOLING PROCESS; VERTICAL TUBE; FLOW; CO2 AB Competitive cycles must have a minimal initial cost and be inherently efficient. Currently, the supercritical carbon dioxide (S-CO2) Brayton cycle is under consideration for these very reasons. This paper examines one major challenge of the S-CO2 Brayton cycle: the complexity of heat exchanger design due to the vast change in thermophysical properties near a fluid's critical point. Turbulent heat transfer experiments using carbon dioxide, with Reynolds numbers up to 100 K, were performed at pressures of 7.5-10.1 MPa, at temperatures spanning the pseudocritical temperature. The geometry employed nine semicircular, parallel channels to aide in the understanding of current printed circuit heat exchanger designs. Computational fluid dynamics was performed using FLUENT and compared to the experimental results. Existing correlations were compared, and predicted the data within 20% for pressures of 8.1 MPa and 10.2 MPa. However, near the critical pressure and temperature, heat transfer correlations tended to over predict the heat transfer behavior. It was found that FLUENT gave the best prediction of heat transfer results, provided meshing was at a y(+) similar to 1. [DOI: 10.1115/1.4006108] C1 [Kruizenga, Alan] Sandia Natl Labs, Livermore, CA 94551 USA. [Kruizenga, Alan; Li, Hongzhi; Anderson, Mark; Corradini, Michael] Univ Wisconsin, Madison, WI 53711 USA. RP Kruizenga, A (reprint author), Sandia Natl Labs, POB 0969, Livermore, CA 94551 USA. EM amkruiz@sandia.gov FU DOE Office of Nuclear Energy's Nuclear Energy University Programs [09-778]; Qatar Research Foundation FX This research is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs (09-778) and the Qatar Research Foundation. NR 20 TC 4 Z9 4 U1 4 U2 32 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD AUG PY 2012 VL 134 IS 8 AR 081802 DI 10.1115/1.4006108 PG 10 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 970OZ UT WOS:000306143200017 ER PT J AU Lamont, JA Ekkad, SV Alvin, MA AF Lamont, Justin A. Ekkad, Srinath V. Alvin, Mary Anne TI Effects of Rotation on Heat Transfer for a Single Row Jet Impingement Array With Crossflow SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE jet impingement; rotation; crossflow; liquid crystal thermography ID WALLS; CHANNEL; DUCT AB The effects of the Coriolis force are investigated in rotating internal serpentine coolant channels in turbine blades. For complex flow in rotating channels, detailed measurements of the heat transfer over the channel surface will greatly enhance the blade designers' ability to predict hot spots so coolant may be distributed more effectively. The present study uses a novel transient liquid crystal technique to measure heat transfer in a rotating, radially outward channel with impingement jets. A simple case with a single row of constant pitch impinging jets with the crossflow effect is presented to demonstrate the novel liquid crystal technique and document the baseline effects for this type of geometry. The present study examines the differences in heat transfer distributions due to variations in jet Rotation number, Ro(j), and jet orifice-to-target surface distance (H/d(j) = 1,2, and 3). Colder air, below room temperature, is passed through a room temperature test section to cause a color change in the liquid crystals. This ensures that buoyancy is acting in a similar direction as in actual turbine blades where walls are hotter than the coolant fluid. Three parameters were controlled in the testing: jet coolant-to-wall temperature ratio, average jet Reynolds number, Re-j, and average jet Rotation number, Ro(j). Results show, such as serpentine channels, the trailing side experiences an increase in heat transfer and the leading side experiences a decrease for all jet channel height-to-jet diameter ratios (H/d(j)). At a jet channel height-to-jet diameter ratio of 1, the crossflow from upstream spent jets greatly affects impingement heat transfer behavior in the channel. For H/d(j) = 2 and 3, the effects of the crossflow are not as prevalent as H/d(j) = 1: however, it still plays a detrimental role. The stationary case shows that heat transfer increases with higher H/d(j) values, so that H/d(j) = 3 has the highest results of the three examined. However, during rotation the H/d(j) = 2 case shows the highest heat transfer values for both the leading and trailing sides. The Coriolis force may have a considerable effect on the developing length of the potential core, affecting the resulting heat transfer on the target surface. [DOI: 10.1115/1.4006167] C1 [Lamont, Justin A.; Ekkad, Srinath V.] Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA. [Alvin, Mary Anne] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Lamont, JA (reprint author), Virginia Tech, Dept Mech Engn, 102 Randolph Hall, Blacksburg, VA 24061 USA. EM jalamont@vt.edu; sekkad@vt.edu; Maryanne.Alvin@netl.doe.gov RI Ekkad, Srinath/E-9112-2014 FU National Energy Technology Laboratory under the RES [DE-FE0004000]; U.S. Department of Education's Graduate Assistance in Areas of National Need (GAANN) through Virginia Tech Mechanical Engineering Department FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research in gas turbine cooling under the RES Contract No. DE-FE0004000. The authors would also like to thank the U.S. Department of Education's Graduate Assistance in Areas of National Need (GAANN) fellowship provided through the Virginia Tech Mechanical Engineering Department. NR 16 TC 8 Z9 9 U1 0 U2 13 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD AUG PY 2012 VL 134 IS 8 AR 082202 DI 10.1115/1.4006167 PG 12 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 970OZ UT WOS:000306143200022 ER PT J AU LeBlanc, S Swartzentruber, B Martinez, J Christoforo, G Kodama, T Goodson, KE AF LeBlanc, S. Swartzentruber, B. Martinez, J. Christoforo, G. Kodama, T. Goodson, K. E. TI Nanoscale Manipulation, Heating, and Welding of Nanowires SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT News Item C1 [LeBlanc, S.; Kodama, T.; Goodson, K. E.] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Christoforo, G.] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. [Swartzentruber, B.; Martinez, J.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Livermore, CA 94550 USA. RP LeBlanc, S (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. RI Goodson, Kenneth/C-3545-2011 NR 0 TC 0 Z9 0 U1 1 U2 21 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD AUG PY 2012 VL 134 IS 8 AR 080910 PG 1 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 970OZ UT WOS:000306143200010 ER PT J AU Siw, SC Chyu, MK Shih, TIP Alvin, MA AF Siw, Sin Chien Chyu, Minking K. Shih, Tom I-P. Alvin, Mary Anne TI Effects of Pin Detached Space on Heat Transfer and Pin-Fin Arrays SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE endwall; pin fin; heat transfer coefficient; tip-to-endwall ID ENDWALL; FLOW AB Heat transfer and pressure characteristics in a rectangular channel with pin-fin arrays of partial detachment from one of the endwalls have been experimentally studied. The overall channel geometry (W - 76.2 mm, E - 25.4 mm) simulates an internal cooling passage of wide aspect ratio (3:1) in a gas turbine airfoil. With a given pin diameter, D = 6.35 mm = 1/4 E, three different pin-fin height-to-diameter ratios, H/D = 4, 3, and 2, were examined. Each of these three cases corresponds to a specific pin array geometry of detachment spacing (C) between the pin tip and one of the endwalls, i.e., C/D = 0, 1, 2, respectively. The Reynolds number, based on the hydraulic diameter of the unobstructed cross-section and the mean bulk velocity, ranges from 10,000 to 25,000. The experiment employs a hybrid technique based on transient liquid crystal imaging to obtain the distributions of the local heat transfer coefficient over all of the participating surfaces, including the endwalls and all the pin elements. Experimental results reveal that the presence of a detached space between the pin tip and the endwall has a significant effect on the convective heat transfer and pressure loss in the channel. The presence of pin-to-endwall spacing promotes wall-flow interaction, generates additional separated shear layers, and augments turbulent transport. In general, an increase in detached spacing, or C/D, leads to lower heat transfer enhancement and pressure drop. However, C/D - 1, i.e., H/D - 3, of a staggered array configuration exhibits the highest heat transfer enhancement, followed by the cases of C/D = 0 and C/D = 2, i.e., H/D = 4 or 2, respectively. [DOI: 10.1115/1.4006166] C1 [Siw, Sin Chien; Chyu, Minking K.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Shih, Tom I-P.] Purdue Univ, Dept Aeronaut & Astronaut, W Lafayette, IN 47907 USA. [Alvin, Mary Anne] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Siw, SC (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. EM mkchyu@pitt.edu FU National Energy Technology Laboratory [0004000.3.620.243.001] FX This research effort was performed in support of the National Energy Technology Laboratory under Contract No. 0004000.3.620.243.001. The authors wish to thank Mr. Richard Dennis at DOE NETL for his continued support. NR 22 TC 5 Z9 6 U1 1 U2 17 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD AUG PY 2012 VL 134 IS 8 AR 081902 DI 10.1115/1.4006166 PG 9 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 970OZ UT WOS:000306143200019 ER PT J AU Liu, HJ Fan, N Pardalos, PM AF Liu, Haijun Fan, Neng Pardalos, Panos M. TI Generalized Lagrange Function and Generalized Weak Saddle Points for a Class of Multiobjective Fractional Optimal Control Problems SO JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS LA English DT Article DE Multiobjective fractional optimal control problems; Generalized Lagrange function; Weak saddle points ID PROGRAMMING PROBLEMS; DUALITY; INVEXITY AB By constructing a kind of generalized Lagrange function for a class of multiobjective fractional optimal control problems, sufficient and necessary conditions for existence of generalized weak saddle points are established. In addition, the relationship between weak efficiency and generalized weak saddle points is discussed. C1 [Pardalos, Panos M.] Univ Florida, Ctr Appl Optimizat, Dept Ind & Syst Engn, Gainesville, FL 32611 USA. [Liu, Haijun] Inner Mongolia Agr Univ, Coll Sci, Hohhot 010018, Peoples R China. [Liu, Haijun] Inner Mongolia Univ, Coll Math Sci, Hohhot 010021, Peoples R China. [Fan, Neng] Sandia Natl Labs, Dept Discrete Math & Complex Syst, Albuquerque, NM 87185 USA. [Pardalos, Panos M.] Natl Res Univ, LATNA, Higher Sch Econ, Moscow 101000, Russia. RP Pardalos, PM (reprint author), Univ Florida, Ctr Appl Optimizat, Dept Ind & Syst Engn, Gainesville, FL 32611 USA. EM pardalos@ise.ufl.edu FU Inner Mongolia Natural Science Funds [20080404ms0110]; CMS; DTRA; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The research of H. Liu is supported by Inner Mongolia Natural Science Funds (20080404ms0110). The research of P. M. Pardalos is supported by CMS and DTRA grants. N. Fan is with Sandia National Laboratories, which is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 17 TC 2 Z9 2 U1 1 U2 6 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-3239 J9 J OPTIMIZ THEORY APP JI J. Optim. Theory Appl. PD AUG PY 2012 VL 154 IS 2 BP 370 EP 381 DI 10.1007/s10957-012-0007-8 PG 12 WC Operations Research & Management Science; Mathematics, Applied SC Operations Research & Management Science; Mathematics GA 972PE UT WOS:000306288300003 ER PT J AU Ma, Q Prater, JT Sudakar, C Rosenberg, RA Narayan, J AF Ma, Q. Prater, J. T. Sudakar, C. Rosenberg, R. A. Narayan, J. TI Defects in room-temperature ferromagnetic Cu-doped ZnO films probed by x-ray absorption spectroscopy SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID DILUTE MAGNETIC SEMICONDUCTORS; FINE-STRUCTURE; ORIGIN; COPPER; OXIDE AB We report a comprehensive study of the defects in room-temperature ferromagnetic (RTFM) Cu-doped ZnO thin films using x-ray absorption spectroscopy. The films are doped with 2 at.% Cu, and are prepared by reactive magnetron sputtering (RMS) and pulsed laser deposition (PLD), respectively. The results reveal unambiguously that atomic point defects exist in these RTFM thin films. The valence states of the Cu ions in both films are 2(+). In the film prepared by PLD, the oxygen vacancies (V-O) form around both Zn ions and Cu ions in the hexagonal wurtzite structure. Upon annealing of the film in O-2, the V-O population reduces and so does the RTFM. In the film prepared by RMS, the V(O)s around Cu ions are not detected, and the V-O population around Zn ions is also smaller than in the PLD-prepared film. However, zinc vacancies (V-Zn) are evidenced. Given the low doping level of spin-carrying Cu ions, these results provide strong support for defect-mediated ferromagnetism in Cu-doped ZnO thin C1 [Ma, Q.] Argonne Natl Lab, Adv Photon Source, NW Synchrotron Res Ctr, DND CAT, Argonne, IL 60439 USA. [Prater, J. T.] USA, Res Off, Div Mat Sci, Res Triangle Pk, NC 27709 USA. [Prater, J. T.; Narayan, J.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Sudakar, C.] Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. RP Ma, Q (reprint author), Argonne Natl Lab, Adv Photon Source, NW Synchrotron Res Ctr, DND CAT, Argonne, IL 60439 USA. EM q-ma@northwestern.edu RI Rosenberg, Richard/K-3442-2012; Sudakar, Chandran/A-6067-2008; Sudakar, C./A-3393-2013 OI Sudakar, C./0000-0003-2863-338X FU E I DuPont de Nemours Co.; Dow Chemical Company; State of Illinois; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX x-ray absorption spectroscopy experiments are carried out at the DND-CAT located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by E I DuPont de Nemours & Co., The Dow Chemical Company and the State of Illinois. Use of the APS was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. CS acknowledges G Lawes at Department of Physics and Astronomy, Wayne State University for magnetic measurements. NR 52 TC 11 Z9 11 U1 0 U2 38 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD AUG 1 PY 2012 VL 24 IS 30 AR 306002 DI 10.1088/0953-8984/24/30/306002 PG 9 WC Physics, Condensed Matter SC Physics GA 974BU UT WOS:000306405600017 PM 22763657 ER PT J AU Zhang, YF Millett, PC Tonks, M Zhang, LZ Biner, B AF Zhang, Yongfeng Millett, Paul C. Tonks, Michael Zhang, Liangzhe Biner, Bulent TI Molecular dynamics simulations of He bubble nucleation at grain boundaries SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID HELIUM-VACANCY CLUSTERS; BCC METALS; ALPHA-FE; IRRADIATION; DISLOCATIONS; MOLYBDENUM; GROWTH; MECHANISMS; DIFFUSION; ENERGY AB The nucleation behavior of He bubbles in single-crystal (sc) and nano-grain body-centered-cubic (bcc) Mo is simulated using molecular dynamics (MD) simulations, focusing on the effects of the grain boundary (GB) structure. In sc Mo, the nucleation behavior of He bubbles depends on irradiation conditions. He bubbles nucleate by either clustering of He atoms with pre-existing vacancies or self-interstitial-atom (SIA) punching without initial vacancies. In nano-grain Mo, strong precipitation of He at the GBs is observed, and the density, size and spatial distribution of He bubbles vary with the GB structure. The corresponding He bubble density is higher in nano-grain Mo than that in sc Mo and the average bubble size is smaller. In the GB plane, He bubbles distribute along the dislocation cores for GBs consisting of GB dislocations and randomly for those without distinguishable dislocation structures. The simulation results in nano-grain Mo are in agreement with previous experiments in metal nano-layers, and they are further explained by the effect of excess volume associated with the GBs. C1 [Zhang, Yongfeng; Millett, Paul C.; Tonks, Michael; Zhang, Liangzhe; Biner, Bulent] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Zhang, YF (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM yongfeng.zhang@inl.gov FU INL-LDRD project on 'Irradiation-induced evolution of defect and microstructure in nanocrystalline bcc Mo' [INL-LDRD 10-008-CP.01.01.GL.08.11]; Battelle Energy Alliance, LLC; US Department of Energy [DE-AC07-05ID14517] FX The authors gratefully acknowledge the support of an INL-LDRD project on 'Irradiation-induced evolution of defect and microstructure in nanocrystalline bcc Mo' (INL-LDRD 10-008-CP.01.01.GL.08.11). Yongfeng Zhang thanks Dr Xianming (David) Bai for constructive discussions and comments.; This paper has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 41 TC 3 Z9 3 U1 2 U2 44 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD AUG 1 PY 2012 VL 24 IS 30 AR 305005 DI 10.1088/0953-8984/24/30/305005 PG 12 WC Physics, Condensed Matter SC Physics GA 974BU UT WOS:000306405600005 PM 22722319 ER PT J AU Bozza, V Dominik, M Rattenbury, NJ Jorgensen, UG Tsapras, Y Bramich, DM Udalski, A Bond, IA Liebig, C Cassan, A Fouque, P Fukui, A Hundertmark, M Shin, IG Lee, SH Choi, JY Park, SY Gould, A Allan, A Mao, S Wyrzykowski, L Street, RA Buckley, D Nagayama, T Mathiasen, M Hinse, TC Novati, SC Harpsoe, K Mancini, L Scarpetta, G Anguita, T Burgdorf, MJ Horne, K Hornstrup, A Kains, N Kerins, E Kjaergaard, P Masi, G Rahvar, S Ricci, D Snodgrass, C Southworth, J Steele, IA Surdej, J Thone, CC Wambsganss, J Zub, M Albrow, MD Batista, V Beaulieu, JP Bennett, DP Caldwell, JAR Cole, AA Cook, KH Coutures, C Dieters, S Prester, DD Donatowicz, J Greenhill, J Kane, SR Kubas, D Marquette, JB Martin, R Menzies, J Pollard, KR Sahu, KC Williams, A Szymanski, MK Kubiak, M Pietrzynski, G Soszynski, I Poleski, R Ulaczyk, K Depoy, DL Dong, S Han, C Janczak, J Lee, CU Pogge, RW Abe, F Furusawa, K Hearnshaw, JB Itow, Y Kilmartin, PM Korpela, AV Lin, W Ling, CH Masuda, K Matsubara, Y Miyake, N Muraki, Y Ohnishi, K Perrott, YC Saito, T Skuljan, L Sullivan, DJ Sumi, T Suzuki, D Sweatman, WL Tristram, PJ Wada, K Yock, PCM Gulbis, A Hashimoto, Y Kniazev, A Vaisanen, P AF Bozza, V. Dominik, M. Rattenbury, N. J. Jorgensen, U. G. Tsapras, Y. Bramich, D. M. Udalski, A. Bond, I. A. Liebig, C. Cassan, A. Fouque, P. Fukui, A. Hundertmark, M. Shin, I. -G. Lee, S. H. Choi, J. -Y. Park, S. -Y. Gould, A. Allan, A. Mao, S. Wyrzykowski, L. Street, R. A. Buckley, D. Nagayama, T. Mathiasen, M. Hinse, T. C. Novati, S. Calchi Harpsoe, K. Mancini, L. Scarpetta, G. Anguita, T. Burgdorf, M. J. Horne, K. Hornstrup, A. Kains, N. Kerins, E. Kjaergaard, P. Masi, G. Rahvar, S. Ricci, D. Snodgrass, C. Southworth, J. Steele, I. A. Surdej, J. Thoene, C. C. Wambsganss, J. Zub, M. Albrow, M. D. Batista, V. Beaulieu, J. -P. Bennett, D. P. Caldwell, J. A. R. Cole, A. A. Cook, K. H. Coutures, C. Dieters, S. Prester, D. Dominis Donatowicz, J. Greenhill, J. Kane, S. R. Kubas, D. Marquette, J. -B. Martin, R. Menzies, J. Pollard, K. R. Sahu, K. C. Williams, A. Szymanski, M. K. Kubiak, M. Pietrzynski, G. Soszynski, I. Poleski, R. Ulaczyk, K. DePoy, D. L. Dong, Subo Han, C. Janczak, J. Lee, C. -U. Pogge, R. W. Abe, F. Furusawa, K. Hearnshaw, J. B. Itow, Y. Kilmartin, P. M. Korpela, A. V. Lin, W. Ling, C. H. Masuda, K. Matsubara, Y. Miyake, N. Muraki, Y. Ohnishi, K. Perrott, Y. C. Saito, To Skuljan, L. Sullivan, D. J. Sumi, T. Suzuki, D. Sweatman, W. L. Tristram, P. J. Wada, K. Yock, P. C. M. Gulbis, A. Hashimoto, Y. Kniazev, A. Vaisanen, P. TI OGLE-2008-BLG-510: first automated real-time detection of a weak microlensing anomaly - brown dwarf or stellar binary? SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: micro; planetary systems ID GRAVITATIONAL LENSING EXPERIMENT; FOLLOW-UP OBSERVATIONS; INITIAL MASS FUNCTION; GALACTIC BULGE; EXTRASOLAR PLANETS; OPTICAL DEPTH; LIGHT CURVES; EARTH MASS; EVENTS; SYSTEMS AB The microlensing event OGLE-2008-BLG-510 is characterized by an evident asymmetric shape of the peak, promptly detected by the Automated Robotic Terrestrial Exoplanet Microlensing Search (ARTEMiS) system in real time. The skewness of the light curve appears to be compatible both with binary-lens and binary-source models, including the possibility that the lens system consists of an M dwarf orbited by a brown dwarf. The detection of this microlensing anomaly and our analysis demonstrate that: (1) automated real-time detection of weak microlensing anomalies with immediate feedback is feasible, efficient and sensitive, (2) rather common weak features intrinsically come with ambiguities that are not easily resolved from photometric light curves, (3) a modelling approach that finds all features of parameter space rather than just the favourite model is required and (4) the data quality is most crucial, where systematics can be confused with real features, in particular small higher order effects such as orbital motion signatures. It moreover becomes apparent that events with weak signatures are a silver mine for statistical studies, although not easy to exploit. Clues about the apparent paucity of both brown-dwarf companions and binary-source microlensing events might hide here. C1 [Bozza, V.; Novati, S. Calchi] Univ Salerno, Dipartimento Fis ER Caianiello, I-84084 Fisciano, SA, Italy. [Bozza, V.] Sez Napoli, Grp Coll Salerno, INFN, Naples, Italy. [Dominik, M.; Liebig, C.; Hundertmark, M.; Kains, N.] Univ St Andrews, Sch Phys & Astron, SUPA, St Andrews KY16 9SS, Fife, Scotland. [Rattenbury, N. J.; Perrott, Y. C.; Yock, P. C. M.] Univ Auckland, Dept Phys, Auckland 1001, New Zealand. [Jorgensen, U. G.; Mathiasen, M.; Hinse, T. C.; Harpsoe, K.; Kjaergaard, P.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Jorgensen, U. G.; Harpsoe, K.; Snodgrass, C.] Geol Museum, Ctr Star & Planet Format, DK-1350 Copenhagen, Denmark. [Tsapras, Y.] Las Cumbres Observ, Global Telescope Network, Goleta, CA 93117 USA. [Tsapras, Y.] Univ London, Sch Math Sci, Astron Unit, London E1 4NS, England. [Bramich, D. M.; Kains, N.] ESO Headquarters, D-85748 Garching, Germany. [Udalski, A.; Szymanski, M. K.; Kubiak, M.; Pietrzynski, G.; Soszynski, I.; Poleski, R.; Ulaczyk, K.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. [Bond, I. A.; Lin, W.; Ling, C. H.; Skuljan, L.; Sweatman, W. L.] Massey Univ, Inst Informat & Math Sci, Auckland 1330, New Zealand. [Liebig, C.; Cassan, A.; Wambsganss, J.; Zub, M.] Heidelberg Univ, Zentrum Astron, Astron Rech Inst, D-69120 Heidelberg, Germany. [Cassan, A.; Batista, V.; Beaulieu, J. -P.; Coutures, C.; Kubas, D.; Marquette, J. -B.] UPMC, CNRS, Inst Astrophys Paris, UMR7095, F-75014 Paris, France. [Fouque, P.] Univ Toulouse, CNRS, IRAP, F-31400 Toulouse, France. [Fukui, A.] Natl Astron Observ Japan, Okayama Astrophys Observ, Asakuchi, Okayama 7190232, Japan. [Hundertmark, M.] Univ Gottingen, Inst Astrophys, D-37077 Gottingen, Germany. [Shin, I. -G.; Lee, S. H.; Choi, J. -Y.; Park, S. -Y.; Han, C.] Chungbuk Natl Univ, Dept Phys, Cheongju 361763, South Korea. [Dong, Subo; Pogge, R. W.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Allan, A.] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England. [Mao, S.; Kerins, E.] Univ Manchester, Ctr Astrophys, Jodrell Bank, Manchester M13 9PL, Lancs, England. [Wyrzykowski, L.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Buckley, D.; Gulbis, A.; Kniazev, A.; Vaisanen, P.] S African Astron Observ, ZA-7935 Cape Town, South Africa. [Nagayama, T.] Nagoya Univ, Fac Sci, Dept Phys & Astrophys, Nagoya, Aichi 4648602, Japan. [Hinse, T. C.] Armagh Observ, Coll Hill, Armagh BT61 9DG, North Ireland. [Hinse, T. C.; Lee, C. -U.] Korea Astron & Space Sci Inst, Taejon 305348, South Korea. [Novati, S. Calchi] IIASS, Vietri Sul Mare, SA, Italy. [Mancini, L.] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Anguita, T.] Pontificia Univ Catolica Chile, Dept Astron & Astrophys, Ctr Astro Ingn, Santiago 306, Chile. [Burgdorf, M. J.] Univ Stuttgart, Deutsch SOFIA Inst, D-70569 Stuttgart, Germany. [Burgdorf, M. J.] NASA, Ames Res Ctr, SOFIA Sci Ctr, Moffett Field, CA 94035 USA. [Hornstrup, A.] Danmarks Tekniske Univ, Inst Rumforskning Og Teknol, DK-2100 Kbenhavn, Denmark. [Masi, G.] Bellatrix Astron Observ, I-03023 Ceccano, FR, Italy. [Rahvar, S.] Sharif Univ Technol, Dept Phys, Tehran, Iran. [Rahvar, S.] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada. [Ricci, D.; Surdej, J.] Inst Astrophys & Geophys, B-4000 Liege, Belgium. [Snodgrass, C.] Max Planck Inst Solar Syst Res, D-37191 Katlenburg Lindau, Germany. [Southworth, J.] Univ Keele, Astrophys Grp, Keele ST5 5BG, Staffs, England. [Steele, I. A.] Liverpool John Moores Univ, Astrophys Res Inst, Birkenhead CH41 1LD, Merseyside, England. [Thoene, C. C.] Inst Astrofis Andalucia, E-18080 Granada, Spain. [Thoene, C. C.] Univ Copenhagen, Niels Bohr Inst, Dark Cosmol Ctr, DK-2100 Copenhagen O, Denmark. [Snodgrass, C.; Kubas, D.] ESO, Santiago 19001 19, Chile. [Albrow, M. D.; Bennett, D. P.; Pollard, K. R.; Hearnshaw, J. B.] Univ Canterbury, Dept Phys & Astron, Christchurch 8020, New Zealand. [Bennett, D. P.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Caldwell, J. A. R.] McDonald Observ, Fort Davis, TX 79734 USA. [Thoene, C. C.; Cole, A. A.; Dieters, S.; Greenhill, J.] Univ Tasmania, Sch Math & Phys, Hobart, Tas 7001, Australia. [Cook, K. H.] Lawrence Livermore Natl Lab, IGPP, Livermore, CA 94551 USA. [Prester, D. Dominis] Univ Rijeka, Dept Phys, Rijeka 51000, Croatia. [Donatowicz, J.] Vienna Univ Technol, A-1040 Vienna, Austria. [Kane, S. R.] CALTECH, NASA Exoplanet Sci Inst, Pasadena, CA 91125 USA. [Martin, R.; Williams, A.] Perth Observ, Perth, WA 6076, Australia. [Sahu, K. C.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Pietrzynski, G.] Univ Concepcion, Dept Astron, Concepcion, Chile. [DePoy, D. L.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Dong, Subo] Inst Adv Study, Princeton, NJ 08540 USA. [Janczak, J.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Abe, F.; Furusawa, K.; Itow, Y.; Masuda, K.; Matsubara, Y.; Miyake, N.; Sumi, T.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan. [Kilmartin, P. M.; Tristram, P. J.] Mt John Observ, Lake Tekapo 8770, New Zealand. [Korpela, A. V.; Sullivan, D. J.] Victoria Univ, Sch Chem & Phys Sci, Wellington 6140, New Zealand. [Muraki, Y.] Konan Univ, Dept Phys, Kobe, Hyogo 6588501, Japan. [Ohnishi, K.] Nagano Natl Coll Technol, Nagano 3818550, Japan. [Saito, To] Tokyo Metropolitan Coll Aeronaut, Tokyo 1168523, Japan. [Sumi, T.; Suzuki, D.; Wada, K.] Osaka Univ, Dept Earth & Space Sci, Toyonaka, Osaka 5600043, Japan. [Hashimoto, Y.] Natl Taiwan Normal Univ, Dept Earth Sci, Taipei 11677, Taiwan. RP Bozza, V (reprint author), Univ Salerno, Dipartimento Fis ER Caianiello, Via Ponte Don Melillo, I-84084 Fisciano, SA, Italy. EM md35@st-andrews.ac.uk RI Dong, Subo/J-7319-2012; Kane, Stephen/B-4798-2013; Greenhill, John/C-8367-2013; Williams, Andrew/K-2931-2013; Hundertmark, Markus/C-6190-2015; Rahvar, Sohrab/A-9350-2008; OI Ricci, Davide/0000-0002-9790-0552; Williams, Andrew/0000-0001-9080-0105; Hundertmark, Markus/0000-0003-0961-5231; Rahvar, Sohrab/0000-0002-7084-5725; Dominik, Martin/0000-0002-3202-0343; Cole, Andrew/0000-0003-0303-3855; Thone, Christina/0000-0002-7978-7648; Snodgrass, Colin/0000-0001-9328-2905 FU Danish Natural Science Foundation (FNU); Danish National Research Foundation; National Research Foundation of Korea [2009-0081561]; NSF [AST-0757888]; NASA [NNX08AF40G]; NASA through the Sagan Fellowship Program; International Institute for Advanced Scientific Studies; German Research Foundation (DFG); KRCF Young Scientist Research Fellowship Programme; Korea Astronomy and Space Science Institute (KASI) [2012-1-410-02]; Communaute francaise de Belgique - Actions de recherche concertees - Academie universitaire Wallonie-Europe; European Research Council under the European Community [246678]; Mt Canopus Observatory; Qatar National Research Fund (QNRF) [NPRP 09-476-1-078]; California Institute of Technology (Caltech); [JSPS20340052]; [JSPS20740104]; [MEXT19015005] FX The Danish 1.54 m telescope is operated based on a grant from the Danish Natural Science Foundation (FNU). The 'Dark Cosmology Centre' is funded by the Danish National Research Foundation. Work by C. Han was supported by a grant of National Research Foundation of Korea (2009-0081561). Work by AG was supported by NSF grant AST-0757888. Work by BSG, AG and RWP was supported by NASA grant NNX08AF40G. Work by SD was performed under contract with the California Institute of Technology (Caltech) funded by NASA through the Sagan Fellowship Program. The MOA team acknowledges support by grants JSPS20340052, JSPS20740104 and MEXT19015005. Some of the observations reported in this paper were obtained with the Southern African Large Telescope (SALT). LM acknowledges support for this work by research funds of the International Institute for Advanced Scientific Studies. MH acknowledges support by the German Research Foundation (DFG). TCH is funded through the KRCF Young Scientist Research Fellowship Programme. CUL acknowledges support by Korea Astronomy and Space Science Institute (KASI) grant 2012-1-410-02. DR (boursier FRIA) and JSurdej acknowledge support from the Communaute francaise de Belgique - Actions de recherche concertees - Academie universitaire Wallonie-Europe. The OGLE project has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013) / ERC grant agreement no. 246678. Dr David Warren provided support for the Mt Canopus Observatory. MD, YT, DMB, CL, MH, RAS, KH and CS are thankful to Qatar National Research Fund (QNRF), member of Qatar Foundation, for support by grant NPRP 09-476-1-078. NR 74 TC 8 Z9 8 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD AUG PY 2012 VL 424 IS 2 BP 902 EP 918 DI 10.1111/j.1365-2966.2012.21233.x PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 973JQ UT WOS:000306356800008 ER PT J AU White, M Myers, AD Ross, NP Schlegel, DJ Hennawi, JF Shen, Y McGreer, I Strauss, MA Bolton, AS Bovy, J Fan, X Miralda-Escude, J Palanque-Delabrouille, N Paris, I Petitjean, P Schneider, DP Viel, M Weinberg, DH Yeche, C Zehavi, I Pan, K Snedden, S Bizyaev, D Brewington, H Brinkmann, J Malanushenko, V Malanushenko, E Oravetz, D Simmons, A Sheldon, A Weaver, BA AF White, Martin Myers, Adam D. Ross, Nicholas P. Schlegel, David J. Hennawi, Joseph F. Shen, Yue McGreer, Ian Strauss, Michael A. Bolton, Adam S. Bovy, Jo Fan, X. Miralda-Escude, Jordi Palanque-Delabrouille, N. Paris, I. Petitjean, P. Schneider, D. P. Viel, M. Weinberg, David H. Yeche, Ch Zehavi, I. Pan, K. Snedden, S. Bizyaev, D. Brewington, H. Brinkmann, J. Malanushenko, V. Malanushenko, E. Oravetz, D. Simmons, A. Sheldon, A. Weaver, Benjamin A. TI The clustering of intermediate-redshift quasars as measured by the Baryon Oscillation Spectroscopic Survey SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Review DE quasars: general; cosmology: observations; large-scale structure of Universe ID DIGITAL-SKY-SURVEY; SUPERMASSIVE BLACK-HOLES; ACTIVE GALACTIC NUCLEI; PHOTOMETRICALLY CLASSIFIED QUASARS; STAR-FORMING GALAXIES; 2-POINT CORRELATION-FUNCTION; LUMINOUS RED GALAXIES; DARK-MATTER HALOES; DATA RELEASE; TARGET SELECTION AB We measure the quasar two-point correlation function over the redshift range 2.2 < z < 2.8 using data from the Baryon Oscillation Spectroscopic Survey. We use a homogeneous subset of the data consisting of 27 129 quasars with spectroscopic redshifts by far the largest such sample used for clustering measurements at these redshifts to date. The sample covers 3600 deg(2), corresponding to a comoving volume of 9.7 (h(-1) Gpc)(3) assuming a fiducial Lambda cold dark matter cosmology, and it has a median absolute i-band magnitude of -26, k-corrected to z= 2. After accounting for redshift errors we find that the redshift-space correlation function is fitted well by a power law of slope -2 and amplitude s(0)=(9.7 +/- 0.5)h(-1) Mpc over the range 3 < s < 25 h(-1) Mpc. The projected correlation function, which integrates out the effects of peculiar velocities and redshift errors, is fitted well by a power law of slope -1 and r(0)=(8.4 +/- 0.6)h(-1) Mpc over the range 4 < R < 16 h(-1) Mpc. There is no evidence for strong luminosity or redshift dependence to the clustering amplitude, in part because of the limited dynamic range in our sample. Our results are consistent with, but more precise than, previous measurements at similar redshifts. Our measurement of the quasar clustering amplitude implies a bias factor of b similar or equal to 3.5 for our quasar sample. We compare the data to models to constrain the manner in which quasars occupy dark matter haloes at z similar to 2.4 and infer that such quasars inhabit haloes with a characteristic mass of < M > similar or equal to 10(12) h(-1) M-circle dot with a duty cycle for the quasar activity of 1 per cent. C1 [White, Martin; Ross, Nicholas P.; Schlegel, David J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [White, Martin] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Myers, Adam D.] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. [Myers, Adam D.; Hennawi, Joseph F.] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Shen, Yue] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [McGreer, Ian] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Strauss, Michael A.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Bolton, Adam S.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Bovy, Jo; Fan, X.] Inst Adv Study, Princeton, NJ 08540 USA. [Miralda-Escude, Jordi] Inst Catalana Recerca & Estudis Avancats, Barcelona 08010, Spain. [Miralda-Escude, Jordi] Inst Ciencies Cosmos IEEC UB, Barcelona 08034, Spain. [Palanque-Delabrouille, N.; Yeche, Ch] CEA, Ctr Saclay, IRFU, F-91191 Gif Sur Yvette, France. [Paris, I.; Petitjean, P.] Univ Paris 06, F-75014 Paris, France. [Paris, I.; Petitjean, P.] Inst Astrophys Paris, CNRS, F-75014 Paris, France. [Schneider, D. P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, D. P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Viel, M.] Osserv Astron Trieste, INAF, I-34131 Trieste, Italy. [Weinberg, David H.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Weinberg, David H.] Ohio State Univ, CCAPP, Columbus, OH 43210 USA. [Zehavi, I.] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. [Pan, K.; Snedden, S.; Brewington, H.; Brinkmann, J.; Malanushenko, V.; Malanushenko, E.; Oravetz, D.; Simmons, A.; Sheldon, A.] Apache Point Observ, Sunspot, NM 88349 USA. [Bizyaev, D.; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. RP White, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mwhite@berkeley.edu RI White, Martin/I-3880-2015; OI White, Martin/0000-0001-9912-5070; Miralda-Escude, Jordi/0000-0002-2316-8370; Viel, Matteo/0000-0002-2642-5707; Bovy, Jo/0000-0001-6855-442X FU Alfred P. Sloan Foundation; Participating Institutions; National Science Foundation; US Department of Energy Office of Science; NSF; NASA [HST-HF-51285.01]; Spanish grants [AYA2009-09745, PR2011-0431]; 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 website 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.; MW was supported by the NSF and NASA. ADM is a research fellow of the Alexander von Humboldt Foundation of Germany. JM-E is supported by Spanish grants AYA2009-09745 and PR2011-0431. JB was partially supported by a NASA Hubble Fellowship (HST-HF-51285.01). NR 142 TC 74 Z9 74 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD AUG PY 2012 VL 424 IS 2 BP 933 EP 950 DI 10.1111/j.1365-2966.2012.21251.x PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 973JQ UT WOS:000306356800011 ER PT J AU Mylavarapu, SK Sun, XD Christensen, RN Unocic, RR Glosup, RE Patterson, MW AF Mylavarapu, Sai K. Sun, Xiaodong Christensen, Richard N. Unocic, Raymond R. Glosup, Richard E. Patterson, Mike W. TI Fabrication and design aspects of high-temperature compact diffusion bonded heat exchangers SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 8th International Topical Meeting on Nuclear Thermal-Hydraulics, Operation and Safety (NUTHOS) CY OCT 10-14, 2010 CL Shanghai, PEOPLES R CHINA AB The Very High Temperature Reactor (VHTR) using gas-cooled reactor technology is anticipated to be the reactor type for the Next Generation Nuclear Plant (NGNP). In this reactor concept with an indirect power cycle system, a high-temperature and high integrity Intermediate Heat Exchanger (IHX) with high effectiveness is required to efficiently transfer the core thermal output to a secondary fluid for electricity generation, hydrogen production, and/or industrial process heat applications. At present, there is no proven IHX concept for VHTRs. The current Technology Readiness Level (TRL) status issued by NGNP to all components associated with the IHX for reduced nominal reactor outlet temperatures of 750-800 degrees C is 3 on a 1-10 scale, with 10 indicating complete technological maturity. Among the various potential IHX concepts available, diffusion bonded heat exchangers (henceforth called printed circuit heat exchangers, or PCHEs) appear promising for NGNP applications. The design and fabrication of this key component of NGNP with Alloy 617, a candidate high-temperature structural material for NGNP applications, are the primary focus of this paper. In the current study, diffusion bonding of Alloy 617 has been demonstrated, although the optimum diffusion bonding process parameters to engineer a quasi interface-free joint are yet to be determined. The PCHE fabrication related processes, i.e., photochemical etching and diffusion bonding are discussed for Alloy 617 plates. In addition, the authors' experiences with these non-conventional machining and joining techniques are discussed. Two PCHEs are fabricated using Alloy 617 plates and are being experimentally investigated for their thermal-hydraulic performance in a High-Temperature Helium Facility (HTHF). The HTHF is primarily of Alloy 800H construction and is designed to facilitate experiments at temperatures and pressures up to 800 degrees C and 3 MPa, respectively. Furthermore, some preliminary microstructural and mechanical property characterization studies of representative diffusion bonded Alloy 617 specimens are presented. The characterization studies are restricted and less severe from an NGNP perspective but provide sufficient confidence to ensure safe operation of the heat exchangers in the HTHF. The test results are used to determine the design operating conditions for the PCHEs fabricated. (C) 2011 Elsevier B.V. All rights reserved. C1 [Mylavarapu, Sai K.; Sun, Xiaodong; Christensen, Richard N.; Glosup, Richard E.] Ohio State Univ, Nucl Engn Program, Columbus, OH 43210 USA. [Unocic, Raymond R.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Patterson, Mike W.] Idaho Natl Lab, Idaho Falls, ID USA. RP Sun, XD (reprint author), Ohio State Univ, Nucl Engn Program, Columbus, OH 43210 USA. EM sun.200@osu.edu OI Unocic, Raymond/0000-0002-1777-8228; Patterson, Michael/0000-0002-8698-3284; Sun, Xiaodong/0000-0002-9852-160X NR 14 TC 12 Z9 12 U1 1 U2 20 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2012 VL 249 BP 49 EP 56 DI 10.1016/j.nucengdes.2011.08.043 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 971KD UT WOS:000306201900007 ER PT J AU Zhao, HH Mousseau, VA AF Zhao, Haihua Mousseau, Vincent A. TI Use of forward sensitivity analysis method to improve code scaling, applicability, and uncertainty (CSAU) methodology SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 8th International Topical Meeting on Nuclear Thermal-Hydraulics, Operation and Safety (NUTHOS) CY OCT 10-14, 2010 CL Shanghai, PEOPLES R CHINA ID THERMAL-HYDRAULICS; SAFETY; SYSTEM AB Since the code scaling, applicability, and uncertainty (CSAU) methodology was proposed about two decades ago, it has been widely used for new reactor designs and existing LWRs power uprates. In spite of these huge successes, CSAU has been criticized for the need of further improvement, focusing on two main issues - lack of objectiveness and high cost. With the effort to develop next generation safety analysis codes, new opportunities appear to take advantage of new numerical methods, better physical models, and modern uncertainty qualification methods. Forward sensitivity (FS) analysis directly solves the partial differential equations for parameter sensitivities. Moreover, our work shows that time and space steps can be treated as special sensitivity parameters so that numerical errors can be directly compared with physical uncertainties. It should be noted that FS analysis is an intrusive uncertainty quantification method that requires the user of the method to be familiar with the simulation code structure including numerical spatial and temporal integration techniques. When the FS analysis is implemented in a new advanced system analysis code. CSAU could be significantly improved by quantifying numerical errors and allowing a quantitative PIRT (Q-PIRT) to reduce subjective judgment and improve efficiency. This paper will review the issues related to the current CSAU implementations, introduce FS analysis, show a simple example to perform FS analysis, and discuss potential improvements on CSAU with FS analysis. Finally, the general research direction and requirements to use FS analysis in an advanced system analysis code will be discussed. Published by Elsevier B.V. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Mousseau, Vincent A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zhao, HH (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Haihua.Zhao@inl.gov NR 28 TC 1 Z9 1 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2012 VL 249 BP 188 EP 196 DI 10.1016/j.nucengdes.2011.09.042 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 971KD UT WOS:000306201900026 ER PT J AU Oh, CH Kim, ES Kang, HS AF Oh, Chang H. Kim, Eung S. Kang, Hyung S. TI Natural circulation patterns in the VHTR air-ingress accident and related issues SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 8th International Topical Meeting on Nuclear Thermal-Hydraulics, Operation and Safety (NUTHOS) CY OCT 10-14, 2010 CL Shanghai, PEOPLES R CHINA ID DIFFUSION AB Natural circulation patterns in the VHTR during a hypothetical air-ingress accident have been investigated using computational fluid dynamic (CFD) methods in order to compare results from the previous 1-D model which was developed using GAMMA code for the air-ingress analyses. The GT-MHR 600 MWt reactor was selected to be the reference design and modeled by a half symmetric 3-D geometry using FLUENT 6.3, a commercial CFD code. CFD simulations were carried out as the steady-state calculation, and the boundary conditions were either assumed or provided from the 1-D GAMMA code results. Totally, 12 different cases have been reviewed, and many notable results have been obtained through this work. According to the simulations, natural circulation patterns in the reactor were quite different from the previous 1-D assumptions. A large re-circulation flow with thermal stratification phenomena was clearly observed in the hot-leg and the lower plenum in the 3-D model. This re-circulation flow provided about an order faster air-ingress speed (0.46 m/s in superficial velocity) than previously predicted by 1-D modeling (0.02-0.03 m/s). It indicates that the 1-D air-ingress modeling may significantly distort the air-ingress scenario and consequences. In addition, complicated natural circulation patterns are eventually expected to result in very complex graphite oxidations and corrosion behaviors. (C) 2011 Elsevier B.V. All rights reserved. C1 [Oh, Chang H.; Kim, Eung S.; Kang, Hyung S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Oh, CH (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Chang.Oh@inl.gov NR 9 TC 2 Z9 2 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2012 VL 249 BP 228 EP 236 DI 10.1016/j.nucengdes.2011.09.031 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 971KD UT WOS:000306201900030 ER PT J AU Balode, D Skar, H Mild, M Kolupajeva, T Ferdats, A Rozentale, B Leitner, T Albert, J AF Balode, Dace Skar, Helena Mild, Mattias Kolupajeva, Tatjana Ferdats, Andris Rozentale, Baiba Leitner, Thomas Albert, Jan TI Phylogenetic Analysis of the Latvian HIV-1 Epidemic SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Article ID DRUG-USERS; RECOMBINANT; SWEDEN AB The Latvian HIV-1 outbreak among intravenous drug users (IDUs) in 1997-1998 involved subtype A1. To obtain a more complete picture of the Latvian HIV-1 epidemic, 315 HIV-1-infected patients diagnosed in 1990-2005 representing different transmission groups and geographic regions were phylogenetically characterized using env V3 and gag p17 sequences. Subtypes A1 and B infections were found in 76% and 22% of the patients, respectively. The subtype A1 sequences formed one large cluster, which also included sequences from other parts of the former Soviet Union (FSU), whereas most subtype B sequences formed three distinct clusters. We estimated that subtype A1 was introduced from FSU around 1997 and initially spread explosively among IDUs in Riga. A recent increase of heterosexually infected persons did not form a separate subepidemic, but had multiple interactions with the IDU epidemic. Subtype B was introduced before the collapse of the Soviet Union and primarily has spread among men who have sex with men. C1 [Balode, Dace; Skar, Helena; Mild, Mattias; Albert, Jan] Karolinska Inst, Dept Microbiol Tumor & Cell Biol, SE-17177 Stockholm, Sweden. [Skar, Helena; Leitner, Thomas] Los Alamos Natl Lab, Los Alamos, NM USA. [Kolupajeva, Tatjana; Rozentale, Baiba] Infectol Ctr Latvia, Riga, Latvia. [Ferdats, Andris] Infectol Ctr Latvia, HIV AIDS Program Unit, Riga, Latvia. [Albert, Jan] Karolinska Univ Hosp, Dept Clin Microbiol, Stockholm, Sweden. RP Albert, J (reprint author), Karolinska Inst, Dept Microbiol Tumor & Cell Biol, SE-17177 Stockholm, Sweden. EM jan.albert@ki.se FU Swedish Research Council; Swedish Baltic Sea Grant; Latvian Council of Science; National Institutes of Health (NIH) [5R01AI087520-02]; EU [QLK2-CT-2001-01344, LSHP-CT-2006-518211, 223131] FX The research leading to these results has received funding from the Swedish Research Council, the Swedish Baltic Sea Grant, the Latvian Council of Science, the National Institutes of Health (NIH) [Grant 5R01AI087520-02], and EU projects: SPREAD (QLK2-CT-2001-01344), EHR (LSHP-CT-2006-518211), and CHAIN (FP7/2007-2013) "Collaborative HIV and Anti-HIV Drug Resistance Network" Grant agreement no. 223131. NR 12 TC 12 Z9 12 U1 0 U2 4 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD AUG PY 2012 VL 28 IS 8 BP 928 EP 932 DI 10.1089/aid.2011.0310 PG 5 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 977SA UT WOS:000306683600028 PM 22049908 ER PT J AU Webb-Robertson, BJM Bailey, VL Fansler, SJ Wilkins, MJ Hess, NJ AF Webb-Robertson, Bobbie-Jo M. Bailey, Vanessa L. Fansler, Sarah J. Wilkins, Michael J. Hess, Nancy J. TI Spectral signatures for the classification of microbial species using Raman spectra SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE Confocal Raman microscopy; Classification; Alignment; Binning; Peak selection ID SPECTROSCOPY; BACTERIA; DISCRIMINATION; HETEROGENEITY; METABONOMICS AB In general, classification-based methods based on confocal Raman microscopy are focused on targeted studies under which the spectral libraries are collected under controlled instrument parameters, which facilitate analyses via standard multivariate data analysis methods and cross-validation. We develop and compare approaches to transform spectra collected at different spectral ranges and varying levels of resolution into a single lower-dimension spectral signature library. This will result in a more robust analysis method able to accommodate spectra accumulated at different times and conditions. We demonstrate these approaches on a relevant test case; the identification of microbial species from a natural environment. The training data were based on samples prepared for three unique species collected at two time points and the test data consisted of blinded unknowns prepared and analyzed at a later date with different instrument parameters. The results indicate that using reduced dimension representations of the spectral signatures improves classification accuracy over basic alignment protocols. In particular, utilizing the microbial species partial least squares discriminant analysis classifier on the blinded samples based on alignment achieved similar to 78 % accuracy, while both binning and peak selection approaches yielded 100 % accuracy. C1 [Webb-Robertson, Bobbie-Jo M.; Bailey, Vanessa L.; Fansler, Sarah J.; Wilkins, Michael J.; Hess, Nancy J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Webb-Robertson, BJM (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,J4-33, Richland, WA 99352 USA. EM bj@pnl.gov RI Wilkins, Michael/A-9358-2013; OI Bailey, Vanessa/0000-0002-2248-8890; Hess, Nancy/0000-0002-8930-9500 FU Laboratory Directed Research and Development under the Microbial Communities Initiative at Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy (DOE) [DE-AC06-76RL01830]; DOE Office of Biological and Environmental Research FX This work was supported by Laboratory Directed Research and Development under the Microbial Communities Initiative at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy (DOE) under Contract DE-AC06-76RL01830. The Raman spectra presented were processed at the Environmental Molecular Sciences Laboratory (EMSL). EMSL is a national scientific user facility supported by the DOE Office of Biological and Environmental Research. NR 23 TC 3 Z9 4 U1 0 U2 33 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD AUG PY 2012 VL 404 IS 2 BP 563 EP 572 DI 10.1007/s00216-012-6152-y PG 10 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 973CI UT WOS:000306330000029 PM 22695502 ER PT J AU Sathitsuksanoh, N Zhu, ZG Zhang, YHP AF Sathitsuksanoh, Noppadon Zhu, Zhiguang Zhang, Y. -H. Percival TI Cellulose solvent- and organic solvent-based lignocellulose fractionation enabled efficient sugar release from a variety of lignocellulosic feedstocks SO BIORESOURCE TECHNOLOGY LA English DT Article DE Biofuels; Biomass pretreatment; Cellulose accessibility to cellulase; Cellulose solvent; Lignocellulose fractionation ID BIOETHANOL PRODUCTION; ENZYMATIC-HYDROLYSIS; BIOENERGY CROP; CORN STOVER; PRETREATMENT; BIOFUELS; SACCHARIFICATION; TECHNOLOGIES; BIOMASS; ACID AB Developing feedstock-independent biomass pretreatment would be vital to second generation biorefineries that would fully utilize diverse non-food lignocellulosic biomass resources, decrease transportation costs of low energy density feedstock, and conserve natural biodiversity. Cellulose solvent- and organic solvent-based lignocellulose fractionation (COSLIF) was applied to a variety of feedstocks, including Miscanthus, poplar, their mixture, bagasse, wheat straw, and rice straw. Although non-pretreated biomass samples exhibited a large variation in enzymatic digestibility, the COSLIF-pretreated biomass samples exhibited similar high enzymatic glucan digestibilities and fast hydrolysis rates. Glucan digestibilities of most pretreated feedstocks were similar to 93% at five filter paper units per gram of glucan. The overall glucose and xylose yields for the Miscanthus:poplar mixture at a weight ratio of 1:2 were 93% and 85%, respectively. These results suggested that COSLIF could be regarded as a feedstock-independent pretreatment suitable for processing diverse feedstocks by adjusting pretreatment residence time only. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Sathitsuksanoh, Noppadon; Zhu, Zhiguang; Zhang, Y. -H. Percival] Virginia Tech, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Sathitsuksanoh, Noppadon; Zhang, Y. -H. Percival] Virginia Tech, Inst Crit Technol & Appl Sci ICTAS, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] DOE BioEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA. [Zhang, Y. -H. Percival] Gate Fuels Inc, Blacksburg, VA 24060 USA. RP Zhang, YHP (reprint author), Virginia Tech, Dept Biol Syst Engn, 304 Seitz Hall, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu RI sathitsuksanoh, noppadon/O-6305-2014; Zhu, Zhiguang/I-3936-2016 OI sathitsuksanoh, noppadon/0000-0003-1521-9155; FU DOE BioEnergy Science Center (BESC); USDA Bioprocessing and Biodesign Center; ICTAS FX This work was supported partially by the DOE BioEnergy Science Center (BESC) and USDA Bioprocessing and Biodesign Center. NS was partially supported by the ICTAS scholar program. The authors would like to thank Dr. Frank Dohleman and Dr. Steve Long from the University of Illinois for providing the Miscanthus sample utilized in this study. NR 27 TC 21 Z9 22 U1 4 U2 54 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD AUG PY 2012 VL 117 BP 228 EP 233 DI 10.1016/j.biortech.2012.04.088 PG 6 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 971MV UT WOS:000306208900032 PM 22613899 ER PT J AU Zhu, YH Jones, SB Biddy, MJ Dagle, RA Palo, DR AF Zhu, Yunhua Jones, Susanne B. Biddy, Mary J. Dagle, Robert A. Palo, Daniel R. TI Single-step syngas-to-distillates (S2D) process based on biomass-derived syngas - A techno-economic analysis SO BIORESOURCE TECHNOLOGY LA English DT Article DE Biomass; Gasification; Techno-economic analysis; Syngas-to-distillate ID GASIFICATION; CATALYSTS AB This study compared biomass gasification based syngas-to-distillate (S2D) systems using techno-economic analysis (TEA). Three cases, state of technology (SOT), goal, and conventional, were compared in terms of performance and cost. The SOT case represented the best available experimental results for a process starting with syngas using a single-step dual-catalyst reactor for distillate generation. The conventional case mirrored a conventional two-step S2D process consisting of separate syngas-to-methanol and methanol-to-gasoline (MTG) processes. The goal case assumed the same performance as the conventional, but with a single-step S2D technology. TEA results revealed that the SOT was more expensive than the conventional and goal cases. The SOT case suffers from low one-pass yield and high selectivity to light hydrocarbons, both of which drive up production cost. Sensitivity analysis indicated that light hydrocarbon yield and single pass conversion efficiency were the key factors driving the high cost for the SOT case. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Zhu, Yunhua; Jones, Susanne B.; Dagle, Robert A.; Palo, Daniel R.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Biddy, Mary J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Palo, Daniel R.] Microprod Breakthrough Inst, Corvallis, OR 97330 USA. RP Zhu, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM yunhua.zhu@pnnl.gov FU Energy Conversion Initiative at Pacific Northwest National Laboratory; National Advanced Biofuels Consortium; Department of Energy's Office of Biomass Program; U.S. Department of Energy [DE-AC05-76RL01830] FX Initial work on this concept was funded through the Energy Conversion Initiative at Pacific Northwest National Laboratory. This work was supported by the National Advanced Biofuels Consortium, which is funded by the Department of Energy's Office of Biomass Program with recovery act funds. PNNL work was conducted under U.S. Department of Energy contract DE-AC05-76RL01830. NR 37 TC 14 Z9 14 U1 2 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD AUG PY 2012 VL 117 BP 341 EP 351 DI 10.1016/j.biortech.2012.04.027 PG 11 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 971MV UT WOS:000306208900046 PM 22621810 ER PT J AU Papa, G Varanasi, P Sun, L Cheng, G Stavila, V Holmes, B Simmons, BA Adani, F Singh, S AF Papa, G. Varanasi, P. Sun, L. Cheng, G. Stavila, V. Holmes, B. Simmons, B. A. Adani, F. Singh, S. TI Exploring the effect of different plant lignin content and composition on ionic liquid pretreatment efficiency and enzymatic saccharification of Eucalyptus globulus L. mutants SO BIORESOURCE TECHNOLOGY LA English DT Article DE Cell wall microporous surface; Eucalyptus globulus L.; Ionic liquid treatment; Enzymatic hydrolysis; Lignin-S/G ratio ID BIOFUEL PRODUCTION; BIOMASS RECALCITRANCE; CELLULOSE; WOOD; HYDROLYSIS; PYROLYSIS; DELIGNIFICATION; VISUALIZATION; TECHNOLOGIES; SWITCHGRASS AB There are several approaches being investigated to improve the efficiency of biomass conversion into fermentable sugars, including those that engineer the feedstocks to enhance digestibility. In this study it was evaluated the impact of genotype modifications of three mutants of Eucalyptus globulus L, and of the corresponding wild type on cellulose hydrolyzability before and after ionic liquid (IL) pretreatment. Both untreated and IL-treated samples were chemically characterized and tested for cellulose hydrolizability. Results obtained indicate that genetic modifications altered wood lignin-S/G ratio. This alteration resulted in a different hydrolyzability of cellulose for untreated samples, i.e. high lignin-S/G ratio produced low glucose yield (r = -0.97; P < 0.03; n = 4), but did not affect glucose yield after IL pretreatment. IL pretreated samples had increased glucose yields compared to that of untreated samples due to the modification of microcrystalline cellulose I to mixtures of more hydrolysable cellulose II and amorphous cellulose, and to the partial removal of the steric impediment, or removal of the lignin "sheath" protecting cellulose, to enzymes. The efficiency of the IL pretreatment used in this study does not appear to be affected by the S/G content of the E. globulus. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Papa, G.; Adani, F.] Univ Milan, Grp Ricicla, Dipartimento Prod Vegetale, I-20133 Milan, Italy. [Varanasi, P.; Sun, L.; Cheng, G.; Holmes, B.; Simmons, B. A.; Singh, S.] Joint BioEnergy Inst, Phys Biosci Div, Lawrence Berkeley Natl Lab, Emeryville, CA USA. [Stavila, V.] Sandia Natl Labs, Livermore, CA USA. RP Adani, F (reprint author), Univ Milan, Grp Ricicla, Dipartimento Prod Vegetale, Via Celoria 2, I-20133 Milan, Italy. EM fabrizio.adani@unimi.it; seesing@sandia.gov RI Stavila, Vitalie/B-6464-2008; Sun, Lan/C-7321-2012; OI Stavila, Vitalie/0000-0003-0981-0432; Adani, Fabrizio/0000-0003-0250-730X; Simmons, Blake/0000-0002-1332-1810 FU Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-05CH11231] FX The authors thank ArborGen for the wild type and engineered E. globulus samples used in this study, and thank Novozymes for the hydrolytic enzymes used in this study. We also thank Marcin Zemla for help with SEM imaging. 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 39 TC 29 Z9 29 U1 6 U2 55 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD AUG PY 2012 VL 117 BP 352 EP 359 DI 10.1016/j.biortech.2012.04.065 PG 8 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 971MV UT WOS:000306208900047 PM 22634318 ER PT J AU Rong, LB Ribeiro, RM Perelson, AS AF Rong, Libin Ribeiro, Ruy M. Perelson, Alan S. TI Modeling Quasispecies and Drug Resistance in Hepatitis C Patients Treated with a Protease Inhibitor SO BULLETIN OF MATHEMATICAL BIOLOGY LA English DT Article DE Telaprevir; Mutation; Fitness; Quasispecies; Direct-acting antiviral agents; Mathematical model ID VIRUS SERINE-PROTEASE; GENOTYPE 1 INFECTION; PEGYLATED INTERFERON-ALPHA-2B; ANTIRETROVIRAL TREATMENT; CONFERRING RESISTANCE; REPLICON CELLS; HIV-INFECTION; HCV PROTEASE; VIRAL-RNA; IN-VITRO AB Telaprevir, a novel hepatitis C virus (HCV) NS3-4A serine protease inhibitor, has demonstrated substantial antiviral activity in patients infected with HCV. However, drug-resistant HCV variants were detected in vivo at relatively high frequency a few days after drug administration. Here we use a two-strain mathematical model to explain the rapid emergence of drug resistance in HCV patients treated with telaprevir monotherapy. We examine the effects of backward mutation and liver cell proliferation on the preexistence of the mutant virus and the competition between wild-type and drug-resistant virus during therapy. We also extend the two-strain model to a general model with multiple viral strains. Mutations during therapy only have a minor effect on the dynamics of various viral strains, although they are capable of generating low levels of HCV variants that would otherwise be completely suppressed because of fitness disadvantages. Liver cell proliferation may not affect the pretreatment frequency of mutant variants, but is able to influence the quasispecies dynamics during therapy. It is the relative fitness of each mutant strain compared with wild-type that determines which strain(s) will dominate the virus population. This study provides a theoretical framework for exploring the prevalence of preexisting mutant variants and the evolution of drug resistance during treatment with other HCV protease inhibitors or polymerase inhibitors. C1 [Rong, Libin; Ribeiro, Ruy M.; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Rong, Libin] Oakland Univ, Dept Math & Stat, Rochester, MI 48309 USA. [Rong, Libin] Oakland Univ, Ctr Biomed Res, Rochester, MI 48309 USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM asp@lanl.gov OI Ribeiro, Ruy/0000-0002-3988-8241 FU US Department of Energy [DE-AC52-06NA25396]; NIH [P30-EB011339, P20-RR018754, AI028433, OD011095]; NSF [DMS-1122290] FX Portions of this work were done under the auspices of the US Department of Energy under contract DE-AC52-06NA25396 and supported by NIH grants P30-EB011339, P20-RR018754, AI028433, OD011095, and NSF grant DMS-1122290. We also thank the reviewers for their comments that improved the manuscript. NR 69 TC 16 Z9 17 U1 0 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0092-8240 J9 B MATH BIOL JI Bull. Math. Biol. PD AUG PY 2012 VL 74 IS 8 BP 1789 EP 1817 DI 10.1007/s11538-012-9736-y PG 29 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 970IP UT WOS:000306121900006 PM 22639338 ER PT J AU Sudderth, EA St Clair, SB Placella, SA Swarbreck, SM Castanha, C Herman, DJ Fischer, ML Kleber, M Sudderth, EB Torn, MS Firestone, MK Andersen, GL Ackerly, DD AF Sudderth, Erika A. St Clair, Samuel B. Placella, Sarah A. Swarbreck, Stephanie M. Castanha, Cristina Herman, Donald J. Fischer, Marc L. Kleber, Markus Sudderth, Erik B. Torn, Margaret S. Firestone, Mary K. Andersen, Gary L. Ackerly, David D. TI Annual grassland resource pools and fluxes: sensitivity to precipitation and dry periods on two contrasting soils SO ECOSPHERE LA English DT Article DE Avena barbata; Bayesian ANOVA; carbon; climate change; dry periods; grassland; nitrogen; phenology; precipitation; soil type; water ID CARBON-DIOXIDE EXCHANGE; NITROGEN MINERALIZATION; RAINFALL VARIABILITY; TRANSCRIPT LEVELS; RHIZOSPHERE SOIL; SONORAN DESERT; AVENA-BARBATA; PLANT; DYNAMICS; CALIFORNIA AB In ecosystems throughout the world climate models project increased variability in precipitation patterns that may strongly affect the above-and below-ground processes that control carbon, water, and nutrient cycles. Uncertainty about how plant and soil processes respond to wet and dry periods at different times in the growing season is a barrier to understanding how changing rainfall patterns will affect ecosystem function in annual grasslands. We used mesocosm systems to test the sensitivity to mid-and late-season dry periods of twenty response variables related to nitrogen, carbon, and water cycling in Avena barbata monocultures. We compared the responses of individual variables and of grassland systems under low and high cumulative rain treatments and between two contrasting soil types. Analysis of individual response variables demonstrated strong seasonal patterns: most soil and plant resource pools and fluxes changed between mid-and late-season, and many had larger responses to the late-season dry period. Under increasingly variable precipitation regimes, specific resource pools and fluxes such as soil nitrate and ecosystem CO2 flux may be more strongly affected when dry periods occur later in the growing season. Individual responses variables were also used as state variables in a principal components analysis of changes in grassland functional states between treatments and over time. There were dramatic functional state shifts between the mid-and late-season for both soil types, driven by changes in canopy height, leaf soluble protein, soil nitrate, gross N mineralization, and leaf N. However, we did not find evidence that the functional state of grassland systems was affected by rainfall patterns, indicating that interactions among below-and above-ground processes resulted in system-level resistance to changes in soil moisture. A strong association between plant canopy size and ecosystem functional state suggests that responses of plant phenology and growth to climate change may predict changes in ecosystem function. C1 [Sudderth, Erika A.] Brown Univ, Dept Ecol & Evolutionary Biol, Providence, RI 02912 USA. [St Clair, Samuel B.] Brigham Young Univ, Dept Plant & Wildlife Sci, Provo, UT 84602 USA. [Placella, Sarah A.] Michigan State Univ, WK Kellogg Biol Stn, Hickory Corners, MI 49060 USA. [Swarbreck, Stephanie M.] Univ Cambridge, Dept Plant Sci, Cambridge CB2 3EA, England. [Castanha, Cristina; Torn, Margaret S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Herman, Donald J.; Firestone, Mary K.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Fischer, Marc L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Kleber, Markus] Oregon State Univ, Dept Crop & Soil Sci, Corvallis, OR 97333 USA. [Sudderth, Erik B.] Brown Univ, Dept Comp Sci, Providence, RI 02912 USA. [Torn, Margaret S.] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. [Andersen, Gary L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Environm Biol, Berkeley, CA 94720 USA. [Ackerly, David D.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. RP Sudderth, EA (reprint author), Brown Univ, Dept Ecol & Evolutionary Biol, Providence, RI 02912 USA. EM Erika_Sudderth@brown.edu RI Ackerly, David/A-1247-2009; Torn, Margaret/D-2305-2015; Andersen, Gary/G-2792-2015; Castanha, Cristina/D-3247-2015 OI Ackerly, David/0000-0002-1847-7398; Andersen, Gary/0000-0002-1618-9827; Castanha, Cristina/0000-0001-7327-5169 FU Program for Ecosystem Research, Office of Science, U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Alex Morales for assistance with soil collection and mesocosm construction, Rohit Salve for designing the watering system and providing the TDR soil moisture data, and Melissa Crago, Tara Macomber, Paul Cook, Julia Shams, and Kallista Bley for assisting with experiment maintenance, data collection and sample processing. We also appreciate the insightful and constructive comments from two anonymous reviewers. This study was supported by the Program for Ecosystem Research, Office of Science, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 58 TC 0 Z9 0 U1 7 U2 49 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1990 M STREET NW, STE 700, WASHINGTON, DC 20036 USA SN 2150-8925 J9 ECOSPHERE JI Ecosphere PD AUG PY 2012 VL 3 IS 8 AR UNSP 70 DI 10.1890/ES12-00004.1 PG 24 WC Ecology SC Environmental Sciences & Ecology GA 256IK UT WOS:000327303000001 ER PT J AU Shet, S Ravindra, N Yan, YF Turner, J Wang, HL Al-Jassim, M AF Shet, Sudhakar Ravindra, Nuggehalli Yan, Yanfa Turner, John Wang, Heli Al-Jassim, Mowafak TI ZnO: GaN thin films for photoelectrochemical water splitting application SO EMERGING MATERIALS RESEARCH LA English DT Article DE hydrogen; material properties; material processing; sputtering; thin fi lms; water splitting AB ZnO and mixed ZnO:GaN thin films were synthesized on fluorine-doped tin oxide substrates by reactive radio frequency magnetron sputtering in mixed N-2 and O-2 ambient. Mixed ZnO:GaN films exhibited better crystallinity compared to ZnO film and bandgap narrowing was observed for mixed ZnO:GaN thin films. The n-type conductivity is revealed for both ZnO and ZnO:GaN thin films by Mott-Schottky plots as well as photocurrent polarity in current-voltage (I-V) analysis. ZnO:GaN thin films exhibited improved photocurrents than ZnO films. Our results suggest a potential method for synthesizing heterogeneous photocatalysts with both high crystallinity and bandgap reduction, which should help to improve their photoelectrochemical performance. C1 [Shet, Sudhakar; Yan, Yanfa; Turner, John; Wang, Heli; Al-Jassim, Mowafak] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ravindra, Nuggehalli] New Jersey Inst Technol, Newark, NJ 07102 USA. RP Shet, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Sudhakar.Shet@nrel.gov NR 20 TC 2 Z9 2 U1 2 U2 6 PU ICE PUBLISHING PI WESTMINISTER PA INST CIVIL ENGINEERS, 1 GREAT GEORGE ST, WESTMINISTER SW 1P 3AA, ENGLAND SN 2046-0147 EI 2046-0155 J9 EMERG MATER RES JI Emerg. Mater. Res. PD AUG PY 2012 VL 1 IS 4 BP 201 EP 204 DI 10.1680/emr.12.00007 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA V41HM UT WOS:000209537300004 ER PT J AU Radha, AV Fernandez-Martinez, A Hu, YD Jun, YS Waychunas, GA Navrotsky, A AF Radha, A. V. Fernandez-Martinez, Alejandro Hu, Yandi Jun, Young-Shin Waychunas, Glenn A. Navrotsky, Alexandra TI Energetic and structural studies of amorphous Ca1-xMgxCO3 center dot nH(2)O (0 <= x <= 1) SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID PAIR DISTRIBUTION FUNCTION; SULFATE-REDUCING BACTERIA; URCHIN LARVAL SPICULE; CALCIUM-CARBONATE; CO2 SEQUESTRATION; CRYSTALLIZATION ENERGETICS; CARBOXYLATED MOLECULES; MAGNESIAN CALCITES; DOLOMITE FORMATION; CRYSTAL-GROWTH AB Early stage amorphous precursors provide a low energy pathway for carbonate mineralization. Many natural deposits of carbonate minerals and biogenic calcium carbonate (both amorphous and crystalline) include significant amounts of Mg. To understand the role of magnesium-containing amorphous precursors in carbonate mineralization, we investigated the energetics and structure of synthetic amorphous Ca-Mg carbonates with composition Ca1-xMgxCO3 center dot nH(2)O (0 <= x <= 1) using isothermal acid solution calorimetry and synchrotron X-ray scattering experiments with pair distribution function (PDF) analysis. Amorphous magnesium carbonate (AMC with x = 1) is energetically more metastable than amorphous calcium carbonate (ACC with x = 0), but it is more persistent (crystallizing in months rather than days under ambient conditions), probably due to the slow kinetics of Mg2+ dehydration. The Ca1-xMgxCO3 center dot nH(2)O (0 <= x <= 1) system forms a continuous X-ray amorphous series upon precipitation and all intermediate compositions are energetically more stable than a mixture of ACC and AMC, but metastable with respect to crystalline carbonates. The amorphous system can be divided into two distinct regions. For x = 0.00-0.47, thermal analysis is consistent with a homogeneous amorphous phase. The less metastable compositions of this series, with x = 0.0-0.2, are frequently found in biogenic carbonates. If not coincidental, this may suggest that organisms take advantage of this single phase low energy amorphous precursor pathway to crystalline biogenic carbonates. For x >= 0.47, energetic metastability increases and thermal analysis hints at nanoscale heterogeneity, perhaps of a material near x = 0.5 coexisting with another phase near pure AMC (x = 1). The most hydrated amorphous phases, which occur near x = 0.5, are the least metastable, and may be precursors for dolomite formation. Published by Elsevier Ltd. C1 [Radha, A. V.; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. [Radha, A. V.; Navrotsky, Alexandra] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. [Fernandez-Martinez, Alejandro; Waychunas, Glenn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Hu, Yandi; Jun, Young-Shin] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA. RP Navrotsky, A (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, 1 Shields Ave, Davis, CA 95616 USA. EM anavrotsky@ucdavis.edu RI Fernandez-Martinez, Alejandro/B-4042-2010; Hu, Yandi/F-7968-2011 OI Fernandez-Martinez, Alejandro/0000-0001-5073-9629; Hu, Yandi/0000-0002-8506-9335 FU 'Center of Nanoscale Control of Geologic CO2', an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231]; U.S. DOE [DE-AC02-06CH11357] FX We thank the anonymous reviewers for their helpful comments. This work is supported as part of the 'Center of Nanoscale Control of Geologic CO2', an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-AC02-05CH11231. Work done at Argonne and 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, were supported by the U.S. DOE under Contract DE-AC02-06CH11357. The authors thank Karena Chapman, Peter Chupas, Kevin Beyer, Alexis Loulier, Knud Dideriksen and Ozlem Sel for assistance during synchrotron X-ray scattering experiments at sector 11-ID-B, Advanced Photon Source, Argonne National Laboratory and Joel Commisso for the ICP-MS analysis. NR 71 TC 43 Z9 43 U1 7 U2 94 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 AUG 1 PY 2012 VL 90 BP 83 EP 95 DI 10.1016/j.gca.2012.04.056 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 973DJ UT WOS:000306334200006 ER PT J AU Gomez-Casanovas, N Matamala, R Cook, DR Gonzalez-Meler, MA AF Gomez-Casanovas, Nuria Matamala, Roser Cook, David R. Gonzalez-Meler, Miquel A. TI Net ecosystem exchange modifies the relationship between the autotrophic and heterotrophic components of soil respiration with abiotic factors in prairie grasslands SO GLOBAL CHANGE BIOLOGY LA English DT Review ID ATMOSPHERIC CO2 CONCENTRATION; CARBON-DIOXIDE EXCHANGE; RHIZOSPHERE RESPIRATION; PLANT RESPIRATION; EDDY COVARIANCE; TEMPERATURE SENSITIVITY; ORGANIC-CARBON; RESPIRED CO2; PHOTOSYNTHESIS CONTROLS; TERRESTRIAL ECOSYSTEMS AB We investigated the relationships of net ecosystem carbon exchange (NEE), soil temperature, and moisture with soil respiration rate and its components at a grassland ecosystem. Stable carbon isotopes were used to separate soil respiration into autotrophic and heterotrophic components within an eddy covariance footprint during the 2008 and 2009 growing seasons. After correction for self-correlation, rates of soil respiration and its autotrophic and heterotrophic components for both years were found to be strongly influenced by variations in daytime NEE the amount of C retained in the ecosystem during the daytime, as derived from NEE measurements when photosynthetically active radiation was above 0 similar to mu mol similar to m-2 similar to s-1. The time scale for correlation of variations in daytime NEE with fluctuations in respiration was longer for heterotrophic respiration (3642 similar to days) than for autotrophic respiration (46 similar to days). In addition to daytime NEE, autotrophic respiration was also sensitive to soil moisture but not soil temperature. In contrast, heterotrophic respiration from soils was sensitive to changes in soil temperature, soil moisture, and daytime NEE. Our results show that as for forests plant activity is an important driver of both components of soil respiration in this tallgrass prairie grassland ecosystem. Heterotrophic respiration had a slower coupling with plant activity than did autotrophic respiration. Our findings suggest that the frequently observed variations in the sensitivity of soil respiration to temperature or moisture may stem from variations in the proportions of autotrophic and heterotrophic components of soil respiration. Rates of photosynthesis at seasonal time scales should also be considered as a driver of both autotrophic and heterotrophic soil respiration for ecosystem flux modeling. C1 [Gomez-Casanovas, Nuria; Gonzalez-Meler, Miquel A.] Univ Illinois, Dept Biol Sci, Chicago, IL 60680 USA. [Matamala, Roser] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Cook, David R.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. RP Gonzalez-Meler, MA (reprint author), Univ Illinois, Dept Biol Sci, Chicago, IL 60680 USA. EM mmeler@uic.edu OI Gonzalez-Meler, Miquel/0000-0001-5388-7969 FU U S Department of Energy, Office of Science, Office of Biological and Environmental Research, Terrestrial Ecosystem Science Division [DE-AC02-06CH11357] FX The "Measurement of Carbon Fluxes and Stocks in Midwest Agricultural Land and Restored Grasslands" project is supported by the U S Department of Energy, Office of Science, Office of Biological and Environmental Research, Terrestrial Ecosystem Science Division, under contract DE-AC02-06CH11357. We thank Fermilab National Environmental Research Park coordinator Rod Walton and Fermilab Road and Grounds personnel, especially Michael Becker and Robert Lootens, for maintenance of the site; J Sarsfield, R. Bourgart, S. Kirt, and T. Vugteveen (Argonne) for assistance in the sampling and processing of vegetation and soils; and J. Lugo-Perez and M. Sandor (University of Illinois at Chicago) for their help in isotope measurements at the University's stable isotope laboratory. NR 116 TC 38 Z9 40 U1 6 U2 175 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD AUG PY 2012 VL 18 IS 8 BP 2532 EP 2545 DI 10.1111/j.1365-2486.2012.02721.x PG 14 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 971UB UT WOS:000306228300015 ER PT J AU Johnson, SL Kuske, CR Carney, TD Housman, DC Gallegos-Graves, L Belnap, J AF Johnson, Shannon L. Kuske, Cheryl R. Carney, Travis D. Housman, David C. Gallegos-Graves, La Verne Belnap, Jayne TI Increased temperature and altered summer precipitation have differential effects on biological soil crusts in a dryland ecosystem SO GLOBAL CHANGE BIOLOGY LA English DT Article DE 16S rRNA; altered precipitation; arid lands; climate change; cyanobacteria; drylands; quantitative PCR; soil; temperature ID TERRESTRIAL ECOSYSTEMS; SEMIARID ECOSYSTEMS; CLIMATE-CHANGE; ARID LANDS; DESERT; DISTURBANCE; PULSES; CARBON; UTAH; HYDROLOGY AB Biological soil crusts (biocrusts) are common and ecologically important members of dryland ecosystems worldwide, where they stabilize soil surfaces and contribute newly fixed C and N to soils. To test the impacts of predicted climate change scenarios on biocrusts in a dryland ecosystem, the effects of a 23 similar to degrees C increase in soil temperature and an increased frequency of smaller summer precipitation events were examined in a large, replicated field study conducted in the cold desert of the Colorado Plateau, USA. Surface soil biomass (DNA concentration), photosynthetically active cyanobacterial biomass (chlorophyll a concentration), cyanobacterial abundance (quantitative PCR assay), and bacterial community composition (16S rRNA gene sequencing) were monitored seasonally over 2 similar to years. Soil microbial biomass and bacterial community composition were highly stratified between the 02 similar to cm depth biocrusts and 510 similar to cm depth soil beneath the biocrusts. The increase in temperature did not have a detectable effect on any of the measured parameters over 2 similar to years. However, after the second summer of altered summer precipitation pattern, significant declines occurred in the surface soil biomass (avg. DNA concentration declined 38%), photosynthetic cyanobacterial biomass (avg. chlorophyll a concentration declined 78%), cyanobacterial abundance (avg. gene copies similar to g-1 soil declined 95%), and proportion of Cyanobacteria in the biocrust bacterial community (avg. representation in sequence libraries declined 85%). Biocrusts are important contributors to soil stability, soil C and N stores, and plant performance, and the loss or reduction of biocrusts under an altered precipitation pattern associated with climate change could contribute significantly to lower soil fertility and increased erosion and dust production in dryland ecosystems at a regional scale. C1 [Johnson, Shannon L.; Kuske, Cheryl R.; Carney, Travis D.; Gallegos-Graves, La Verne] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Housman, David C.] AFZJ PT, Integrated Training Area Management, Ft Irwin, CA 92310 USA. [Belnap, Jayne] US Geol Serv, SW Biol Sci Ctr, Moab, UT 84532 USA. RP Kuske, CR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kuske@lanl.gov OI Johnson, Shannon/0000-0002-3972-9208 FU US Department of Energy Program for Ecosystem Research [2005LAN-LE660, ER64550-1031494-0014103] FX This research was supported by grants to C. R. K. (2005LAN-LE660) and J. B. (ER64550-1031494-0014103) from the US Department of Energy Program for Ecosystem Research. The authors thank the DOE Joint Genome Institute for Sanger sequencing of bacterial 16S rDNA clone libraries. We also thank Rachel Wise, Shannon Silva, and Amanda Turner for excellent technical support. Any use of trade, product, or firm names is for descriptive purposes only and does not imply endorsement by the U.S. Government. NR 38 TC 28 Z9 29 U1 14 U2 138 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD AUG PY 2012 VL 18 IS 8 BP 2583 EP 2593 DI 10.1111/j.1365-2486.2012.02709.x PG 11 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 971UB UT WOS:000306228300019 ER PT J AU Paunesku, T Wanzer, MB Kirillova, EN Muksinova, KN Revina, VS Lyubchansky, ER Grosche, B Birschwilks, M Vogt, S Finney, L Woloschak, GE AF Paunesku, T. Wanzer, M. B. Kirillova, E. N. Muksinova, K. N. Revina, V. S. Lyubchansky, E. R. Grosche, B. Birschwilks, M. Vogt, S. Finney, L. Woloschak, G. E. TI X-RAY FLUORESCENCE MICROSCOPY FOR INVESTIGATION OF ARCHIVAL TISSUES SO HEALTH PHYSICS LA English DT Article; Proceedings Paper CT 13th Nuclear Medical Defence Conference CY MAY 16-19, 2011 CL Munich, GERMANY DE exposure, radiation; imaging; radiation, medical; x-ray imaging ID CELLS; COPPER; METALLOPROTEINS; MICROPROBE; PLUTONIUM; PROTEINS; SELENIUM; REVEALS; SENSOR AB Several recent efforts in the radiation biology community worldwide have amassed records and archival tissues from animals exposed to different radionuclides and external beam irradiation. In most cases, these samples come from lifelong studies on large animal populations conducted in national laboratories and equivalent institutions throughout Europe, North America, and Japan. While many of these tissues were used for histopathological analyses, much more information may still be obtained from these samples. A new technique suitable for imaging of these tissues is x-ray fluorescence microscopy (XFM). Following development of third generation synchrotrons, XFM has emerged as an ideal technique for the study of metal content, speciation, and localization in cells, tissues, and organs. Here the authors review some of the recent XFM literature pertinent to tissue sample studies and present examples of XFM data obtained from tissue sections of beagle dog samples, which show that the quality of archival tissues allows XFM investigation. Health Phys. 103(2):181-186;2012 C1 [Paunesku, T.; Wanzer, M. B.; Woloschak, G. E.] Northwestern Univ, Feinberg Sch Med, Chicago, IL 60611 USA. [Kirillova, E. N.; Muksinova, K. N.; Revina, V. S.; Lyubchansky, E. R.] So Ural Biophys Inst, Ozyorskoe Shosse 456780, Ozyorsk, Russia. [Grosche, B.; Birschwilks, M.] Fed Off Radiat Protect, D-85764 Oberschleissheim, Germany. [Vogt, S.; Finney, L.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Woloschak, GE (reprint author), Northwestern Univ, Feinberg Sch Med, 303 E Chicago Ave,Ward 13-007, Chicago, IL 60611 USA. EM g-woloschak@northwestern.edu RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Paunesku, Tatjana/A-3488-2017; Woloschak, Gayle/A-3799-2017; OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Paunesku, Tatjana/0000-0001-8698-2938; Woloschak, Gayle/0000-0001-9209-8954; Birschwilks, Mandy/0000-0003-1630-9910; Grosche, Bernd/0000-0003-2024-3555 FU U.S. Department of Energy [DE-SC0001271, DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy grant DE-SC0001271 and contract DE-AC02-06CH11357 awarded to Advanced Photon Source. NR 41 TC 5 Z9 5 U1 0 U2 12 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2012 VL 103 IS 2 BP 181 EP 186 DI 10.1097/HP.0b013e31824e7023 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 970EC UT WOS:000306109900011 PM 22951477 ER PT J AU Chu, J Sun, JG Templeton, A Yao, R Griem, K AF Chu, James Sun, Jiangang Templeton, Alistair Yao, Rui Griem, Katherine TI THERMAL EFFUSIVITY: A PROMISING IMAGING BIOMARKER TO PREDICT RADIATION-INDUCED SKIN INJURIES SO HEALTH PHYSICS LA English DT Article; Proceedings Paper CT 13th Nuclear Medical Defence Conference CY MAY 16-19, 2011 CL Munich, GERMANY DE accidents, nuclear; emergencies, radiological; emergency planning; radiation, ionizing ID IONIZING-RADIATION; MEDICAL-MANAGEMENT; THERMOGRAPHY; DIAGNOSIS; PATHOPHYSIOLOGY; RADIOTHERAPY; IRRADIATION; BREAST AB An effective screening technology is needed to triage individuals at the time of radiation incidents involving a large population. Three-dimensional thermal tomography is a relatively new development in active thermal imaging technology that produces cross-sectional images based on the subject's ability to transfer heat-thermal effusivity-at the voxel level. This noninvasive imagingmodality has been used successfully in nondestructive examination of complex materials; also it has been shown to predict the severity of radiation-induced skin injuries several days before the manifestation of severe moist desquamations or blister formation symptoms in mice at 40 Gy. If these results are confirmed at lower dose levels in human subjects, a thermal tomography imaging device may be an ideal screening tool in radiation emergencies. This imaging method is non-invasive, relatively simple, easily adaptable for field use, and when properly deployed, it will enhance public emergency preparedness for incidents involving unexpected radiation exposure. Health Phys. 103(2):204-209;2012 C1 [Chu, James; Templeton, Alistair; Yao, Rui; Griem, Katherine] Rush Univ, Med Ctr, Chicago, IL 60612 USA. [Sun, Jiangang] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Chu, J (reprint author), Rush Univ, Med Ctr, Chicago, IL 60612 USA. EM jchu@rush.edu FU Brian Piccolo Research Fund FX This work was supported in part by a research grant from the Brian Piccolo Research Fund. NR 36 TC 1 Z9 1 U1 0 U2 5 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2012 VL 103 IS 2 BP 204 EP 209 DI 10.1097/HP.0b013e31824758c2 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 970EC UT WOS:000306109900015 PM 22951481 ER PT J AU Hickman, DP AF Hickman, David P. TI LINEAR DIMENSIONS AND VOLUMES OF HUMAN LUNGS SO HEALTH PHYSICS LA English DT Article; Proceedings Paper CT 13th Nuclear Medical Defence Conference CY MAY 16-19, 2011 CL Munich, GERMANY C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RP Hickman, DP (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2012 VL 103 IS 2 BP 226 EP 226 DI 10.1097/HP.0b013e318259f413 PG 1 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 970EC UT WOS:000306109900019 PM 22739832 ER PT J AU Bennett, DH Fisk, W Apte, MG Wu, X Trout, A Faulkner, D Sullivan, D AF Bennett, D. H. Fisk, W. Apte, M. G. Wu, X. Trout, A. Faulkner, D. Sullivan, D. TI Ventilation, temperature, and HVAC characteristics in small and medium commercial buildings in California SO INDOOR AIR LA English DT Article DE Commercial buildings; Ventilation; Air exchange rate; Ventilation standards; Heating; ventilating; and air-conditioning; Thermal comfort ID US-EPA BASE; OUTDOOR AIR; SYMPTOMS; RATES; SYSTEMS; TECHNOLOGIES; HEALTH; FLOW; RISK AB This field study of 37 small and medium commercial buildings throughout California obtained information on ventilation rate, temperature, and heating, ventilating, and air-conditioning (HVAC) system characteristics. The study included seven retail establishments; five restaurants; eight offices; two each of gas stations, hair salons, healthcare facilities, grocery stores, dental offices, and fitness centers; and five other buildings. Fourteen (38%) of the buildings either could not or did not provide outdoor air through the HVAC system. The air exchange rate averaged 1.6 (s.d. = 1.7) exchanges per hour and was similar between buildings with and without outdoor air supplied through the HVAC system, indicating that some buildings have significant leakage or ventilation through open windows and doors. Not all buildings had sufficient air exchange to meet ASHRAE 62.1 Standards, including buildings used for fitness centers, hair salons, offices, and retail establishments. The majority of the time, buildings were within the ASHRAE temperature comfort range. Offices were frequently overcooled in the summer. All of the buildings had filters, but over half the buildings had a filter with a minimum efficiency reporting value rating of 4 or lower, which are not very effective for removing fine particles. Practical Implications Most U.S. commercial buildings (96%) are small- to medium-sized, using nearly 18% of the countrys energy, and sheltering a large population daily. Little is known about the ventilation systems in these buildings. This study found a wide variety of ventilation conditions, with many buildings failing to meet relevant ventilation standards. Regulators may want to consider implementing more complete building inspections at commissioning and point of sale. C1 [Bennett, D. H.; Wu, X.; Trout, A.] Univ Calif Davis, Dept Publ Hlth Sci, Davis, CA 95616 USA. [Fisk, W.; Apte, M. G.; Faulkner, D.; Sullivan, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. RP Bennett, DH (reprint author), Univ Calif Davis, Dept Publ Hlth Sci, 1 Shields Ave, Davis, CA 95616 USA. EM dhbennett@ucdavis.edu RI Wu, Xiangmei/D-6577-2011 FU California Energy Commission (CEC), Public Interest Energy Research (PIER) Program [500-02-023]; California Air Resources Board (ARB) FX This research was funded by the California Energy Commission (CEC), Public Interest Energy Research (PIER) Program through contract 500-02-023 with the California Air Resources Board (ARB). The authors would like to thank all of the building operators and owners and additional field and laboratory staff, Michael Powers, and Mike Spears. The authors also would like to thank Peggy Jenkins, Ash Lashgari, Marla Mueller for their helpful input throughout the project. NR 27 TC 14 Z9 14 U1 1 U2 31 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0905-6947 J9 INDOOR AIR JI Indoor Air PD AUG PY 2012 VL 22 IS 4 BP 309 EP 320 DI 10.1111/j.1600-0668.2012.00767.x PG 12 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA 971SG UT WOS:000306223500006 PM 22257121 ER PT J AU Kobayashi, H Lorente, S Anderson, R Bejan, A AF Kobayashi, H. Lorente, S. Anderson, R. Bejan, A. TI Freely morphing tree structures in a conducting body SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Constructal; Tree structure; Vascular design; Dendritic; Ground heat pump; Evolutionary design ID CONSTRUCTAL LAW; HEAT-EXCHANGER; EVOLUTION; SYSTEMS; DESIGN; WELLS AB Here we determine the tree-shaped structure that facilitates heat transfer between it and the solid body in which it is embedded. The vascular design evolves toward configurations that provide progressively greater heat transfer per unit volume. Two solid domain sizes are analyzed: a small cube where the tree structure grows to the second-level bifurcation, and a larger cube where the tree design grows to fourth-level branches. We show that when the solid domain and growing tree structure do not interfere with each other, symmetry is a beneficial feature that promotes heat transfer. When the tree structure interferes with the boundaries, asymmetry is the better design feature, and because of it the tree structure fills the available conducting medium. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Kobayashi, H.; Bejan, A.] Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. [Kobayashi, H.] Ajinomoto Co Inc, R&D Planning Dept, Chuo Ku, Tokyo 1048315, Japan. [Lorente, S.] Univ Toulouse, UPS, INSA, LMDC, F-31077 Toulouse 04, France. [Anderson, R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bejan, A (reprint author), Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. EM abejan@duke.edu FU Ajinomoto Co. Inc.; National Renewable Energy Laboratory, Golden, Colorado [XXL-1-40325-01] FX We thank Ajinomoto Co. Inc. for supporting Mr. H. Kobayashi's work at Duke University. Profs. Bejan and Lorente's work was supported by a subcontract (XXL-1-40325-01) from the National Renewable Energy Laboratory, Golden, Colorado. NR 15 TC 9 Z9 9 U1 0 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD AUG PY 2012 VL 55 IS 17-18 BP 4744 EP 4753 DI 10.1016/j.ijheatmasstransfer.2012.04.038 PG 10 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 971MF UT WOS:000306207300024 ER PT J AU Wang, H Wu, PD Tome, CN Wang, J AF Wang, H. Wu, P. D. Tome, C. N. Wang, J. TI Study of lattice strains in magnesium alloy AZ31 based on a large strain elastic-viscoplastic self-consistent polycrystal model SO INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES LA English DT Article DE Magnesium; Lattice strain; Neutron diffraction; Relaxation; Creep ID SITU NEUTRON-DIFFRACTION; MECHANICAL-BEHAVIOR; TEXTURE DEVELOPMENT; DEFORMATION MECHANISMS; ZIRCONIUM ALLOYS; BASAL TEXTURE; FCC METALS; SHEET; MG; PLASTICITY AB The recently developed large strain elastic visco-plastic self-consistent (EVPSC) model, which incorporates both slip and twinning deformation mechanisms, is used to study the lattice strain evolution in extruded magnesium alloy AZ31 under uniaxial tension and compression. The results are compared against in-situ neutron diffraction measurements done on the same alloy. For the first time, the effects of stress relaxation and strain creep on lattice strain measurements in respectively displacement controlled and load controlled in-situ tests are numerically assessed. It is found that the stress relaxation has a significant effect on the lattice strain measurements. It is also observed that although the creep does not significantly affect the trend of the lattice strain evolution, a better agreement with the experiments is found if creep is included in the simulations. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Wang, H.; Wu, P. D.] McMaster Univ, Dept Mech Engn, Hamilton, ON L8S 4L7, Canada. [Tome, C. N.; Wang, J.] Los Alamos Natl Lab, Ctr Mat Sci, Los Alamos, NM 87545 USA. RP Wu, PD (reprint author), McMaster Univ, Dept Mech Engn, Hamilton, ON L8S 4L7, Canada. EM peidong@mcmaster.ca RI Wang, Huamiao/F-7693-2010; Lujan Center, LANL/G-4896-2012; Tome, Carlos/D-5058-2013; Wang, Jian/F-2669-2012; Wu, Peidong/A-7009-2008 OI Wang, Huamiao/0000-0002-7167-2483; Wang, Jian/0000-0001-5130-300X; FU Ontario Ministry of Research and Innovation; NSERC Magnesium Strategic Research Network; Materials Science and Engineering Division, Office of Basic Energy Science (DOE) [FWP 09SCPE401] FX This research was supported by Ontario Ministry of Research and Innovation and the NSERC Magnesium Strategic Research Network. More information on the Network can be found at www.MagNET.ubc.ca. Carlos Tome and Jian Wang acknowledge support from Materials Science and Engineering Division, Office of Basic Energy Science (DOE), Contract FWP 09SCPE401. NR 43 TC 44 Z9 45 U1 8 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7683 J9 INT J SOLIDS STRUCT JI Int. J. Solids Struct. PD AUG PY 2012 VL 49 IS 15-16 BP 2155 EP 2167 DI 10.1016/j.ijsolstr.2012.04.026 PG 13 WC Mechanics SC Mechanics GA 971LX UT WOS:000306206500014 ER PT J AU Hobbie, KA Peterson, ES Barton, ML Waters, KM Anderson, KA AF Hobbie, Kevin A. Peterson, Elena S. Barton, Michael L. Waters, Katrina M. Anderson, Kim A. TI Integration of Data Systems and Technology Improves Research and Collaboration for a Superfund Research Center SO JALA LA English DT Article DE informatics and software; system integration; Laboratory Information Management Systems (LIMS) AB Large collaborative centers are a common model for accomplishing integrated environmental health research. These centers often include various types of scientific domains (e.g., chemistry, biology, bioinformatics) that are integrated to solve some of the nation's key economic or public health concerns. The Superfund Research Center (SRP) at Oregon State University (OSU) is one such center established in 2008 to study the emerging health risks of polycyclic aromatic hydrocarbons while using new technologies both in the field and laboratory. With outside collaboration at remote institutions, success for the center as a whole depends on the ability to effectively integrate data across all research projects and support cores. Therefore, the OSU SRP center developed a system that integrates environmental monitoring data with analytical chemistry data and downstream bioinformatics and statistics to enable complete "source-to-outcome" data modeling and information management. This article describes the development of this integrated information management system that includes commercial software for operational laboratory management and sample management in addition to open-source custom-built software for bioinformatics and experimental data management. C1 [Hobbie, Kevin A.; Anderson, Kim A.] Oregon State Univ, Dept Environm & Mol Toxicol, Corvallis, OR 97331 USA. [Peterson, Elena S.; Waters, Katrina M.] Computat Sci & Math Div, Pacific NW Natl Lab, Richland, WA USA. [Barton, Michael L.] Oregon State Univ, Environm Hlth Sci Ctr, Corvallis, OR 97331 USA. RP Anderson, KA (reprint author), Oregon State Univ, Dept Environm & Mol Toxicol, 1007 Ag & Life Sci Bldg, Corvallis, OR 97331 USA. EM kim.anderson@oregonstate.edu FU National Institute of Environmental Health Sciences (NIEHS), National Institutes of Health (NIH) [P42ES016465, P30ES000210, R21ES020120, RC4ES019764]; Department of Energy [DE-AC05-76RLO1830] FX The authors disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: The project described was supported, in part, by award numbers P42ES016465, P30ES000210, R21ES020120, and RC4ES019764 from the National Institute of Environmental Health Sciences (NIEHS), National Institutes of Health (NIH). The content is solely the responsibility of the authors and does not necessarily represent the official views of NIEHS or NIH. PNNL is a multi-program national laboratory operated by Battelle Memorial Institute for the Department of Energy under contract number DE-AC05-76RLO1830. NR 11 TC 2 Z9 2 U1 0 U2 8 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 2211-0682 J9 JALA-J LAB AUTOM JI JALA PD AUG PY 2012 VL 17 IS 4 BP 275 EP 283 DI 10.1177/2211068212448428 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 972IJ UT WOS:000306270200004 PM 22651935 ER PT J AU Zhang, Y Chen, H Dudley, M Zhang, Y Edgar, JH Gong, YY Bakalova, S Kuball, M Zhang, LH Su, D Zhu, YM AF Zhang, Yu Chen, Hui Dudley, Michael Zhang, Yi Edgar, J. H. Gong, Yinyan Bakalova, Silvia Kuball, Martin Zhang, Lihua Su, Dong Zhu, Yimei TI Growth mechanisms and defect structures of B12As2 epilayers grown on 4 H-SiC substrates SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 18th American Conference on Crystal Growth and Epitaxy (ACCGE)/15th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) CY JUL 31-AUG 05, 2011 CL Monterey, CA SP Amer Assoc Crystal Growth & Epitaxy (AACGE) DE Characterization; Defects; X-ray topography; Heteroepitaxy Growth ID DIRECT DISLOCATION IMAGE; BORON-RICH SOLIDS; CHEMICAL-VAPOR-DEPOSITION; X-RAY TOPOGRAPHY; THIN-FILMS; HETEROEPITAXIAL GROWTH; VARIANTS; CONTRAST AB Epitaxial growth of icosahedral B12As2 on c-plane 4 H-SiC substrates has been analyzed. On on-axis c-plane 4 H-SiC substrates, Synchrotron white beam x-ray topography (SWBXT) revealed the presence of a homogenous solid solution of twin and matrix B12As2 epilayer domains. High resolution transmission electron microscopy (HRTEM) and scanning transmission electron microscopy (STEM) both revealed the presence of an similar to 20 nm thick, disordered transition layer at the interface. (0003) twin boundaries are shown to possess fault vectors such as 1/3[1-100](B12As2), which originate from the mutual shift between the nucleation sites. On the contrary, B12As2 epilayers grown on c-plane 4 H-SiC substrates intentionally misoriented from (0001) towards [1-100] is shown to be free of rotational twinning. SWBXT, HRTEM and STEM all confirmed the single crystalline nature and much higher quality of the films. In addition, no intermediate layer between the epilayer and the substrate was observed. It is proposed that the vicinal steps formed by hydrogen etching on the off-axis 4 H-SiC substrate surface before deposition cause the film to adopt a single orientation during nucleation process. This work also demonstrates that c-plane 4 H-SiC with offcut toward [1-100] is potentially a good substrate choice for the growth of high-quality, single crystalline B12As2 epilayers for future device applications. Published by Elsevier B.V. C1 [Zhang, Yu; Chen, Hui; Dudley, Michael] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Zhang, Yi; Edgar, J. H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA. [Gong, Yinyan; Bakalova, Silvia; Kuball, Martin] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. [Zhang, Lihua; Su, Dong; Zhu, Yimei] Brookhaven Natl Lab, Ctr Funct Mat, Upton, NY 11973 USA. RP Dudley, M (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. EM mdudley@notes.cc.sunysb.edu RI Su, Dong/A-8233-2013; Zhang, Lihua/F-4502-2014; Gan, Jing/K-3974-2014 OI Su, Dong/0000-0002-1921-6683; NR 22 TC 4 Z9 4 U1 0 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD AUG 1 PY 2012 VL 352 IS 1 BP 3 EP 8 DI 10.1016/j.jcrysgro.2011.12.065 PG 6 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 969WE UT WOS:000306089300003 ER PT J AU Wang, GJ Sun, YC Yang, G Xiang, WC Guan, YT Mei, DM Keller, C Chan, YD AF Wang, Guojian Sun, Yongchen Yang, Gang Xiang, Wenchan Guan, Yutong Mei, Dongming Keller, Christina Chan, Yuen-Dat TI Development of large size high-purity germanium crystal growth SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 18th American Conference on Crystal Growth and Epitaxy (ACCGE)/15th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) CY JUL 31-AUG 05, 2011 CL Monterey, CA SP Amer Assoc Crystal Growth & Epitaxy (AACGE) DE Czochralski method; Semiconducting germanium AB Growing large diameter (similar to 15 cm) dislocation-free crystals for the GEODM experiment at DUSEL is a challenging task. A crystal of such high purity and large size has never been grown before and the process will require much research and development. In pursuing this goal, we are growing high-purity germanium crystals by the Czochralski method in our laboratory at USD in order to understand the details of the growing process, especially for large diameter crystals. Using a radio frequency (RF) heating method, germanium crystals with two different orientations (along < 100 > and < 111 >) have been grown. The growth characteristics of < 100 > crystals have been investigated to understand the impact of the thermal field on the size of the grown crystals. In order to establish the optimal thermal field for growing large high-purity germanium crystals, three different radial thermal fields have been studied. Furthermore, the dislocation density in the grown crystals was measured using an optical microscope and was determined to be about 1 x 10(3)-4 x 10(3)/cm(2), which falls in the required range for a high-purity germanium detector. X-ray diffraction tests on the surfaces of (100) indicate the grown crystals are of high quality. Published by Elsevier B.V. C1 [Wang, Guojian; Sun, Yongchen; Yang, Gang; Xiang, Wenchan; Guan, Yutong; Mei, Dongming; Keller, Christina] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. [Chan, Yuen-Dat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Wang, GJ (reprint author), Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. EM guojian.wang@usd.edu RI Wang, guojian/H-2255-2013 OI Wang, guojian/0000-0001-5934-4594 NR 10 TC 5 Z9 7 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD AUG 1 PY 2012 VL 352 IS 1 BP 27 EP 30 DI 10.1016/j.jcrysgro.2012.01.018 PG 4 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 969WE UT WOS:000306089300007 ER PT J AU Abdul-Jabbar, NM Bourret-Courchesne, ED Wirth, BD AF Abdul-Jabbar, N. M. Bourret-Courchesne, E. D. Wirth, B. D. TI Single crystal growth of Ga-2(SexTe1-x)(3) semiconductors and defect studies via positron annihilation spectroscopy SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 18th American Conference on Crystal Growth and Epitaxy (ACCGE)/15th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) CY JUL 31-AUG 05, 2011 CL Monterey, CA SP Amer Assoc Crystal Growth & Epitaxy (AACGE) DE Crystal structure; Defects; Directional solidification; High resolution x-ray diffraction; Growth from melt; Semiconducting materials ID GA2TE3; SUPERLATTICE AB Small single crystals of Ga-2(SexTe1-x)(3) semiconductors, for x=0.1, 0.2, 0.3, were obtained via modified Bridgman growth techniques. High resolution powder x-ray diffractometry confirms a zincblende cubic structure, with additional satellite peaks observed near the (111) Bragg line. This suggests the presence of ordered vacancy planes along the [111] direction that have been previously observed in Ga2Te3. Defect studies via positron annihilation spectroscopy show an average positron lifetime of approximate to 400 ps in bulk as-grown specimens. Such a large lifetime suggests that the positron annihilation sites in these materials are dominated by defects. Moreover, analyzing the electron momenta via coincidence Doppler broadening measurements suggests a strong presence of large open-volume defects, likely to be vacancy clusters or voids. (C) 2012 Elsevier B.V. All rights reserved. C1 [Abdul-Jabbar, N. M.; Wirth, B. D.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Abdul-Jabbar, N. M.; Bourret-Courchesne, E. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wirth, B. D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. RP Abdul-Jabbar, NM (reprint author), Univ Calif Berkeley, Dept Nucl Engn, 4155 Etcheverry Hall,MC 1730, Berkeley, CA 94720 USA. EM najeb@berkeley.edu RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 NR 18 TC 7 Z9 7 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD AUG 1 PY 2012 VL 352 IS 1 BP 31 EP 34 DI 10.1016/j.jcrysgro.2012.02.011 PG 4 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 969WE UT WOS:000306089300008 ER PT J AU Yang, G Wang, GJ Xiang, WC Guan, YT Sun, YC Mei, DM Gray, B Chan, YD AF Yang, Gang Wang, Guojian Xiang, Wenchang Guan, Yutong Sun, Yongchen Mei, Dongming Gray, Bruce Chan, Yuen-Dat TI Radial and axial impurity distribution in high-purity germanium crystals SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 18th American Conference on Crystal Growth and Epitaxy (ACCGE)/15th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) CY JUL 31-AUG 05, 2011 CL Monterey, CA SP Amer Assoc Crystal Growth & Epitaxy (AACGE) DE High Purity Germanium crystal; Carrier concentration; Hall effect; Mobility; Resistivity AB To grow high purity germanium (HPGe) crystals in an underground environment for ultra-low background experiments is being studied. In the present work, HPGe crystals along < 100 > direction have been grown by the Czochralski method. In order to investigate the distribution of the impurities as a function of length for a grown crystal, i.e. the axial direction, we fabricated a system to measure the resistivity along the axial direction at both room temperature and liquid nitrogen temperature. The distribution of the impurities along the radial direction was measured with a Hall Effect System. The results show that the carrier concentration in some crystals grown in a hydrogen atmosphere has an impurity level of about 10(10)/cm(3), which meets the requirements of detector-grade crystals. Published by Elsevier B.V. C1 [Yang, Gang; Wang, Guojian; Xiang, Wenchang; Guan, Yutong; Sun, Yongchen; Mei, Dongming] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. [Gray, Bruce] Univ S Dakota, Dept Chem, Vermillion, SD 57069 USA. [Chan, Yuen-Dat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Yang, G (reprint author), Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. EM gang.yang@usd.edu RI Wang, guojian/H-2255-2013 OI Wang, guojian/0000-0001-5934-4594 NR 7 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD AUG 1 PY 2012 VL 352 IS 1 BP 43 EP 46 DI 10.1016/j.jcrysgro.2011.12.042 PG 4 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 969WE UT WOS:000306089300011 ER PT J AU Bourret-Courchesne, ED Bizarri, GA Borade, R Gundiah, G Samulon, EC Yan, Z Derenzo, SE AF Bourret-Courchesne, E. D. Bizarri, G. A. Borade, R. Gundiah, G. Samulon, E. C. Yan, Z. Derenzo, S. E. TI Crystal growth and characterization of alkali-earth halide scintillators SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 18th American Conference on Crystal Growth and Epitaxy (ACCGE)/15th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) CY JUL 31-AUG 05, 2011 CL Monterey, CA SP Amer Assoc Crystal Growth & Epitaxy (AACGE) DE Radiation; Single crystal growth; Barium compounds; Halides; Scintillator materials; Scintillators ID COMMON INORGANIC SCINTILLATORS; X-RAY-DIFFRACTION; LANTHANUM BROMIDE; LIGHT YIELD; SYSTEMS; BARIUM; EU AB Alkali-earth halide scintillators have received much attention in the last 2 years due to their high luminosity close to the theoretical limit. We present a summary of the knowledge acquired to date that is relevant to scintillation applications. Progress achieved in the synthesis, growth and performance of these scintillators, specially the Ba mixed halides (such as BaBrI and BaBrCl) and the family of compounds made by combining Cs and Ba halides in various stoichiometries are presented. Published by Elsevier B.V. C1 [Bourret-Courchesne, E. D.; Bizarri, G. A.; Borade, R.; Gundiah, G.; Samulon, E. C.; Yan, Z.; Derenzo, S. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bourret-Courchesne, ED (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM EDBourret@lbl.gov NR 28 TC 33 Z9 34 U1 4 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD AUG 1 PY 2012 VL 352 IS 1 BP 78 EP 83 DI 10.1016/j.jcrysgro.2012.01.014 PG 6 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 969WE UT WOS:000306089300018 ER PT J AU van Loef, EV Mukhopadhyay, S Zaitseva, N Payne, S Shah, KS AF van Loef, Edgar V. Mukhopadhyay, Sharmistha Zaitseva, Natalia Payne, Steve Shah, Kanai S. TI Crystal growth and characterization of 9,10-diphenylanthracene SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 18th American Conference on Crystal Growth and Epitaxy (ACCGE)/15th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) CY JUL 31-AUG 05, 2011 CL Monterey, CA SP Amer Assoc Crystal Growth & Epitaxy (AACGE) DE Characterization; Crystal morphology; Bridgman technique; Growth from solutions; Organic compounds; Scintillator materials AB In this paper we report on the crystal growth and characterization of 9,10-diphenylanthracene. Crystals of 9,10-diphenylanthracene (DPA) were grown by the solution growth technique as well as the vertical Bridgman method. In case of the solution growth technique, several organic solvents were investigated including heptane, cyclohexane, toluene, and p-xylene. The largest crystals of the highest quality were obtained from toluene and xylene. In the case of vertical Bridgman, evacuated silica ampoules were used to grow large single crystals of DPA. Crystals grown by this method exhibit excellent scintillation properties. Radioluminescence spectra of DPA crystals exhibit a broad emission band peaking at 475 nm. DPA crystals show high light yields of up to 20,000 ph/MeV and a fast scintillation decay of less than 20 ns. Fast neutron detection was achieved using a Cf-252 source. (C) 2012 Elsevier B.V. All rights reserved. C1 [van Loef, Edgar V.; Mukhopadhyay, Sharmistha; Shah, Kanai S.] Radiat Monitoring Devices Inc, Watertown, MA 02472 USA. [Zaitseva, Natalia; Payne, Steve] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP van Loef, EV (reprint author), Radiat Monitoring Devices Inc, 44 Hunt St, Watertown, MA 02472 USA. EM EvanLoef@RMDInc.com NR 9 TC 2 Z9 2 U1 1 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD AUG 1 PY 2012 VL 352 IS 1 BP 103 EP 105 DI 10.1016/j.jcrysgro.2012.02.027 PG 3 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 969WE UT WOS:000306089300024 ER PT J AU Schulte, KL Rance, WL Reedy, RC Ptak, AJ Young, DL Kuech, TF AF Schulte, Kevin L. Rance, William L. Reedy, Robert C. Ptak, Aaron J. Young, David L. Kuech, Thomas F. TI Controlled formation of GaAs pn junctions during hydride vapor phase epitaxy of GaAs SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 18th American Conference on Crystal Growth and Epitaxy (ACCGE)/15th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE) CY JUL 31-AUG 05, 2011 CL Monterey, CA SP Amer Assoc Crystal Growth & Epitaxy (AACGE) DE Doping; Impurities; Interfaces; Hydride vapor phase epitaxy; Semiconducting gallium arsenide; Solar cells ID MULTILAYER STRUCTURES; DOPING PROFILES; MOVPE GROWTH; DEPOSITION; TRANSPORT; INGAAS; INP AB Interface formation in HVPE GaAs was investigated through the growth of multilayer test structures with alternately doped and undoped layers and subsequently, pn diode devices. Two growth procedures were used in device formation: continuous growth of all layers, and a growth interruption with simultaneous equilibration of new gas flows for subsequent layers. These junctions were probed using SIMS to determine the doping profiles and impurity incorporation near the interfaces and throughout the bulk of the layers. The junction I-V characteristics were measured with and without illumination to correlate the junction properties with the measured photovoltaic performance. It was discovered that the use of a growth interruption leads to doping transitions up to 6x narrower than samples grown without interruption. The growth interruption leads to an interfacial Si spike that is not observed in the uninterrupted samples during growth of GaAs doped with silane. This spike does not appear to degrade either the material quality or pn junction quality, and pn diodes grown with interruption have exhibited enhanced device efficiencies under solar simulation compared with devices grown without interruption, reaching efficiencies of up to 9.2% without the use of antireflective coatings. (C) 2011 Elsevier B.V. All rights reserved. C1 [Schulte, Kevin L.; Kuech, Thomas F.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Rance, William L.; Reedy, Robert C.; Ptak, Aaron J.; Young, David L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Schulte, KL (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. EM kschulte2@wisc.edu NR 22 TC 13 Z9 13 U1 0 U2 35 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD AUG 1 PY 2012 VL 352 IS 1 BP 253 EP 257 DI 10.1016/j.jcrysgro.2011.11.013 PG 5 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 969WE UT WOS:000306089300057 ER PT J AU Lykken, JD Martin, A Winter, J AF Lykken, Joseph D. Martin, Adam Winter, Jan TI Semileptonic decays of the Higgs boson at the Tevatron SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Monte Carlo Simulations; Hadronic Colliders ID TO-LEADING ORDER; STANDARD MODEL; P(P)OVER-BAR COLLISIONS; HADRON COLLIDERS; ROOT-S=1.96 TEV; CROSS-SECTIONS; ATLAS DETECTOR; PLUS JETS; NNLO QCD; LHC AB We examine the prospects for extending the Tevatron reach for a Standard Model Higgs boson by including the semileptonic Higgs boson decays h -> WW -> lv(l) jj for M-h greater than or similar to 2 M-w, and h -> Wjj -> lv(l) jj for M-h less than or similar to 2 M-W, where j is a hadronic jet. We employ a realistic simulation of the signal and backgrounds using the SHERPA Monte Carlo event generator. We find kinematic selections that enhance the signal over the dominant W + jets background. The resulting sensitivity could be an important addition to ongoing searches. especially in the mass range 120 less than or similar to M-h less than or similar to 150 GeV. The techniques described can be extended to Higgs boson searches at the Large Hadron Collider. C1 [Lykken, Joseph D.; Martin, Adam] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Winter, Jan] CERN, PH TH Dept, CH-1211 Geneva 23, Switzerland. RP Lykken, JD (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, Kirk Rd & Pine St,POB 500,MS 106, Batavia, IL 60510 USA. EM lykken@fnal.gov; aomartin@fnal.gov; jwinter@cern.ch FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy FX Fermilab is operated by Fermi Research Alliance, LLC, under contract DE-AC02-07CH11359 with the United states Department of Energy. NR 135 TC 4 Z9 4 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD AUG PY 2012 IS 8 AR 062 DI 10.1007/JHEP08(2012)062 PG 73 WC Physics, Particles & Fields SC Physics GA 021KL UT WOS:000309883600023 ER PT J AU Chen, ZZ Hendrix, W Samatova, NF AF Chen, Zhengzhang Hendrix, William Samatova, Nagiza F. TI Community-based anomaly detection in evolutionary networks SO JOURNAL OF INTELLIGENT INFORMATION SYSTEMS LA English DT Article DE Anomaly detection; Time-varying graphs; Evolutionary analysis; Community detection; Community-based anomaly ID DYNAMICS AB Networks of dynamic systems, including social networks, the World Wide Web, climate networks, and biological networks, can be highly clustered. Detecting clusters, or communities, in such dynamic networks is an emerging area of research; however, less work has been done in terms of detecting community-based anomalies. While there has been some previous work on detecting anomalies in graph-based data, none of these anomaly detection approaches have considered an important property of evolutionary networks-their community structure. In this work, we present an approach to uncover community-based anomalies in evolutionary networks characterized by overlapping communities. We develop a parameter-free and scalable algorithm using a proposed representative-based technique to detect all six possible types of community-based anomalies: grown, shrunken, merged, split, born, and vanished communities. We detail the underlying theory required to guarantee the correctness of the algorithm. We measure the performance of the community-based anomaly detection algorithm by comparison to a non-representative-based algorithm on synthetic networks, and our experiments on synthetic datasets show that our algorithm achieves a runtime speedup of 11-46 over the baseline algorithm. We have also applied our algorithm to two real-world evolutionary networks, Food Web and Enron Email. Significant and informative community-based anomaly dynamics have been detected in both cases. C1 [Chen, Zhengzhang; Hendrix, William; Samatova, Nagiza F.] N Carolina State Univ, Dept Comp Sci, Raleigh, NC 27695 USA. [Chen, Zhengzhang; Samatova, Nagiza F.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Samatova, NF (reprint author), N Carolina State Univ, Dept Comp Sci, Raleigh, NC 27695 USA. EM samatova@csc.ncsu.edu FU U.S. Department of Energy, Office of Science, the office of Advanced Scientific Computing Research (ASCR); Office of Biological and Environmental Research (BER); U.S. National Science Foundation; LLC U.S. D.O.E. [DEAC05-00OR22725] FX This work was supported in part by the U.S. Department of Energy, Office of Science, the office of Advanced Scientific Computing Research (ASCR) and the Office of Biological and Environmental Research (BER) and the U.S. National Science Foundation (Expeditions in Computing). Oak Ridge National Laboratory is managed by UT-Battelle for the LLC U.S. D.O.E. under contract no. DEAC05-00OR22725. NR 32 TC 13 Z9 17 U1 0 U2 19 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0925-9902 J9 J INTELL INF SYST JI J. Intell. Inf. Syst. PD AUG PY 2012 VL 39 IS 1 BP 59 EP 85 DI 10.1007/s10844-011-0183-2 PG 27 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems SC Computer Science GA 970IG UT WOS:000306121000003 ER PT J AU Esteban-Tejeda, L Cabal, B Malpartida, F Lopez-Piriz, R Torrecillas, R Saiz, E Tomsia, AP Moya, JS AF Esteban-Tejeda, L. Cabal, B. Malpartida, F. Lopez-Piriz, R. Torrecillas, R. Saiz, E. Tomsia, A. P. Moya, J. S. TI Soda-lime glass-coating containing silver nanoparticles on Ti-6Al-4V alloy SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY LA English DT Article DE Titanium alloy; Silver nanoparticles; Glass; Biocide; Medical implants ID ANTIBACTERIAL BONE-CEMENT; ARTHROPLASTY; INFECTION AB The prevention and treatment of post-surgical infections is an ongoing concern. Post-surgical infections often cannot be treated with commercially available antibiotic-loaded bone cement as because higher doses of antibiotics are required. We describe here an approach to prevent implant infection through the use of glass coatings combined with silver nanoparticles deposited by sedimentation and heat-treated at 980 degrees C on titanium alloys. Silver is nontoxic to the human tissue and has been used as an anti-infective for centuries. The glass/silver coatings are composed of a soda-lime glassy matrix containing silver nanoparticles ranging from 2.6 to 20 wt.%. Optimum firing conditions have been determined for the fabrication of coatings that adhere well to the metal implant. These final coatings do not crack or delaminate. The biocidal activity of these coatings was also investigated. Coatings containing 20 wt.% of silver nanoparticles exhibited excellent biocidal activity (log eta > 5) against Gram+, Grambacteria, and yeast after 24 h. (c) 2012 Elsevier Ltd. All rights reserved. C1 [Esteban-Tejeda, L.; Cabal, B.; Moya, J. S.] ICMM CSIC, Mat Sci Inst Madrid, Dept Biomat & Bioinspircd Mat, Madrid 28049, Spain. [Malpartida, F.] CNB CSIC, Natl Biotechnol Ctr, Dept Microbial Biotechnol, Madrid 28049, Spain. [Lopez-Piriz, R.; Torrecillas, R.] CINN CSIC UO PA, Nanomat & Nanotechnol Res Ctr, Llanera 33428, Spain. [Saiz, E.] Univ London Imperial Coll Sci Technol & Med, Dept Mat, Ctr Adv Struct Ceram, London, England. [Tomsia, A. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Cabal, B (reprint author), ICMM CSIC, Mat Sci Inst Madrid, Dept Biomat & Bioinspircd Mat, Madrid 28049, Spain. EM b.cabal@cinn.es RI Moya, Jose/I-5841-2013; Torrecillas, Ramon/G-7851-2011; OI Torrecillas, Ramon/0000-0003-3856-0217; Cabal, Belen/0000-0002-4102-3810 FU ITMA (Asturias, Spain) [20102141]; Spanish MICINN [MAT2009-14542-C02-01]; National Institutes of Health (NIH/NIDCR) [5R01 DE015633] FX This work has been supported by ITMA (Asturias, Spain) under contract number 20102141, Spanish MICINN, MAT2009-14542-C02-01 and by the National Institutes of Health (NIH/NIDCR) under grant number 5R01 DE015633. NR 33 TC 8 Z9 8 U1 1 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-2219 J9 J EUR CERAM SOC JI J. Eur. Ceram. Soc. PD AUG PY 2012 VL 32 IS 11 SI SI BP 2723 EP 2729 DI 10.1016/j.jeurceramsoc.2012.02.053 PG 7 WC Materials Science, Ceramics SC Materials Science GA 971ZV UT WOS:000306247200020 ER PT J AU Kansal, I Goel, A Tulyaganov, DU Rajagopal, RR Ferreira, JMF AF Kansal, Ishu Goel, Ashutosh Tulyaganov, Dilshat U. Rajagopal, Raghu Raman Ferreira, Jose M. F. TI Structural and thermal characterization of CaO-MgO-SiO2-P2O5-CaF2 glasses SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY LA English DT Article DE Sintering; Thermal properties; Glass; Glass ceramics; Biomedical applications ID MOLECULAR-DYNAMICS SIMULATIONS; SILICATE BIOACTIVE GLASSES; CERAMICS; DIOPSIDE; SPECTRA; SYSTEM; RAMAN; SPECTROSCOPY; MAGNESIUM; BEHAVIOR AB The influence of varying the CaO/MgO ratio on the structure and thermal properties of CaO-MgO-SiO2-P2O5-CaF2 glasses was studied in a series of eight glass compositions in the glass forming region of diopside (CaMgSi2O6)-fluorapatite [Ca-5(PO4)(3)F]-wollastonite (CaSiO3) ternary system. The melt-quenched glasses were characterized for their structure by infrared spectroscopy (FTIR) and magic angle spinning (MAS)nuclear magnetic resonance (NMR) spectroscopy. Silicon is predominantly present as Q(2) (Si) species, while phosphorus tends to coordinate in orthophosphate environment. The sintering and crystallization parameters of the glasses were obtained from differential thermal analysis (DTA) while crystalline phase fractions in the sintered glass ceramics were analyzed by X-ray diffraction adjoined with Rietveld refinement. Diopside, fluorapatite, wollastonite and pseudowollastonite crystallized as the main crystalline phases in all the glass ceramics with their content varying with respect to variation in CaO/MgO ratio in glasses. The implications of structure and sintering behaviour of glasses on their bioactivity were discussed. Published by Elsevier Ltd. C1 [Kansal, Ishu; Rajagopal, Raghu Raman; Ferreira, Jose M. F.] Univ Aveiro, Dept Ceram & Glass Engn, CICECO, P-3810193 Aveiro, Portugal. [Goel, Ashutosh] Pacific NW Natl Lab, Richland, WA 99354 USA. [Tulyaganov, Dilshat U.] Turin Polytech Univ Tashkent, Tashkent 100174, Uzbekistan. RP Ferreira, JMF (reprint author), Univ Aveiro, Dept Ceram & Glass Engn, CICECO, P-3810193 Aveiro, Portugal. EM ashutosh.goel@pnnl.gov; jmf@ua.pt RI Goel, Ashutosh/J-9972-2012 FU University of Aveiro; CICECO FX Ishu Kansal is thankful to FCT-Portugal for her doctoral research grant. The support of University of Aveiro and CICECO is highly appreciated. NR 41 TC 13 Z9 13 U1 2 U2 46 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-2219 J9 J EUR CERAM SOC JI J. Eur. Ceram. Soc. PD AUG PY 2012 VL 32 IS 11 SI SI BP 2739 EP 2746 DI 10.1016/j.jeurceramsoc.2011.10.041 PG 8 WC Materials Science, Ceramics SC Materials Science GA 971ZV UT WOS:000306247200022 ER PT J AU Tao, J AF Tao, Jing TI Nanoclusters in magnetoresistance SO NANOTECHNOLOGY REVIEWS LA English DT Article DE colossal magnetoresistance (CMR); inhomogeneity; manganite; nanocluster; superstructure AB Electronic phase separation is one of the most exciting findings during the study of strongly correlated electron systems in past decades. Inhomogeneities at the nanoscale have been proven to not only play a key role in the material properties but also challenge the fundamental concepts of condensed matter physics. In rare earth doped manganites, a nanoscale phase with unique structural modulations has attracted particular attention because of its relationship with the renowned behavior of the material, colossal magnetoresistance (CMR). Direct observations of the nanoscale phases are usually difficult but necessary to unravel the controversies and unveil the underlying physics in this case. In this review paper, recent achievements of direct imaging of the nanoscale phase are shown by using advanced transmission electron microscopic techniques correlated with the material property measurements. Based on those results, the relationship between the nanoscale phase and the CMR effect was established, and unexpected magnetic and physical properties of the nanoscale phase were found. Although the microscopic origin of the nanoscale phase is not fully interpreted yet, the findings here shed light on the pathway to a deeper understanding of the mechanism of CMR and other properties in these materials. C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Tao, J (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM jtao@bnl.gov FU U.S. DOE/BES, Materials Sciences and Engineering Division [DE-AC02-98CH10886]; Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. DOE [DE-FG02-07ER46453, DE-FG02-07ER46471] FX The author thank Prof. D. Niebieskikwiat for providing most La1-xCaxMnO3 samples in the study and Dr. Y. Zhu, Dr. S.J. Pennycook, Prof. J.M. Zuo, Prof. S.T. Pantelides, Prof. M.B. Salamon, Dr. L. Wu, Dr. M. Varela, Dr. W. Luo, Dr. Q. Jie, Dr. M.A. Schofield, Dr. Q. Li, Dr. F. Ye, Dr. N.D. Mathur, Prof. Rongying Jin and Prof. S.-W. Cheong for their fruitful work and discussion. Research at Brookhaven National Laboratory (BNL) was sponsored by the U.S. DOE/BES, Materials Sciences and Engineering Division under contract no. DE-AC02-98CH10886. Research at Oak Ridge National Laboratory (ORNL) was sponsored by the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering and by appointment to the ORNL Postdoctoral Research Program administered jointly by ORNL and Oak Ridge Institute for Science and Education (ORISE). Scanning electron nanodiffraction experiments were carried out at the Center for Microanalysis of Materials, the Frederick Seitz Materials Research Laboratory Central Facilities, University of Illinois, which are partially supported by the U.S. DOE under grant no. DE-FG02-07ER46453 and grant no. DE-FG02-07ER46471. NR 55 TC 0 Z9 0 U1 1 U2 5 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 2191-9089 EI 2191-9097 J9 NANOTECHNOL REV JI Nanotechnol. Rev. PD AUG PY 2012 VL 1 IS 4 BP 301 EP 311 DI 10.1515/ntrev-2012-0010 PG 11 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA V32XB UT WOS:000208982800001 ER PT J AU McCarthy, HR Luo, YQ Wullschleger, SD AF McCarthy, Heather R. Luo, Yiqi Wullschleger, Stan D. TI Integrating empirical-modeling approaches to improve understanding of terrestrial ecology processes SO NEW PHYTOLOGIST LA English DT Editorial Material DE benchmarking; data assimilation; data-model integration; ecological forecasting; ecosystem processes; global change ID FLUXNET C1 [McCarthy, Heather R.; Luo, Yiqi] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Wullschleger, Stan D.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP McCarthy, HR (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. EM heather.mccarthy@ou.edu RI Wullschleger, Stan/B-8297-2012; OI Wullschleger, Stan/0000-0002-9869-0446; McCarthy, Heather R/0000-0002-2219-5182 NR 7 TC 5 Z9 5 U1 0 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X EI 1469-8137 J9 NEW PHYTOL JI New Phytol. PD AUG PY 2012 VL 195 IS 3 BP 523 EP 525 DI 10.1111/j.1469-8137.2012.04222.x PG 3 WC Plant Sciences SC Plant Sciences GA 971CB UT WOS:000306179200007 PM 22775323 ER PT J AU Van de Water, RG AF Van de Water, R. G. CA MiniBooNE Collaboration TI MiniBooNE Search for (v)over-bar(mu) -> (v)over-bar(e) Oscillations SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT 24th International Conference on Neutrino Physics and Astrophysics Neutrino CY JUN 14-19, 2010 CL Athens, GREECE DE oscillation; neutrino; MiniBooNE; LSND ID NEUTRINO OSCILLATIONS; LSND EXPERIMENT AB The MiniBooNE experiment at Fermilab searches for (v) over bar (mu) -> (v) over bar (e) oscillations using a data sample corresponding to 5.66 x 10(20) protons on target. An excess of events is observed which, when constrained by the observed (v) over bar (mu) events, has a probability for consistency with the background-only hypothesis of 0.5% in the energy range of 475 < E-v(QE) < 1250 MeV. Fitting for <(v)over bar>(mu) -> (v) over bar (e) oscillations, the probability of the ratio of the likelihood of the background-only fit to the likelihood of the best oscillation fit is 0.6%. The data are consistent with (v) over bar (mu) -> (v) over bar (e) oscillations in the 0.1 to 1.0 eV(2) Delta m(2) range and with the evidence for antineutrino oscillations from the Liquid Scintillator Neutrino Detector at Los Alamos National Laboratory. C1 [Van de Water, R. G.; MiniBooNE Collaboration] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Van de Water, RG (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 16 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 AUG-NOV PY 2012 VL 229 BP 45 EP 49 DI 10.1016/j.nuclphysbps.2012.09.007 PG 5 WC Physics, Particles & Fields SC Physics GA 065NU UT WOS:000313156000007 ER PT J AU Cardall, CY AF Cardall, Christian Y. TI Supernova Modeling: Progress and Challenges SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT 24th International Conference on Neutrino Physics and Astrophysics Neutrino CY JUN 14-19, 2010 CL Athens, GREECE DE Core-collapse supernovae; Supernova neutrinos ID CORE-COLLAPSE SUPERNOVAE; NEUTRINO RADIATION HYDRODYNAMICS; ACCRETION-SHOCK INSTABILITY; DRIVEN SUPERNOVA; MAGNETIC-FIELDS; EXPLOSIONS; SIMULATIONS; MECHANISM; EVOLUTION; ENGINE AB Neutrinos play important roles in the pre-collapse evolution, explosion, and aftermath of core-collapse supernovae. Detected neutrino signals from core-collapse supernovae would provide insight into the explosion mechanism and unknown neutrino mixing parameters. Achieving these goals requires large-scale, multiphysics simulations. For many years, several groups have performed such simulations with increasing realism. Current simulations and plans for future work of the Oak Ridge group are described. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Cardall, CY (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. NR 22 TC 1 Z9 1 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 AUG-NOV PY 2012 VL 229 BP 315 EP 319 DI 10.1016/j.nuclphysbps.2012.09.049 PG 5 WC Physics, Particles & Fields SC Physics GA 065NU UT WOS:000313156000049 ER PT J AU Kennedy, C Rabiti, C Abdel-Khalik, H AF Kennedy, Chris Rabiti, Cristian Abdel-Khalik, Hany TI GENERALIZED PERTURBATION THEORY-FREE SENSITIVITY ANALYSIS FOR EIGENVALUE PROBLEMS SO NUCLEAR TECHNOLOGY LA English DT Article DE generalized perturbation theory; reduced order modeling; sensitivity analysis ID SYSTEMS AB Generalized perturbation theory (GPT) has been recognized as the most computationally efficient approach for performing sensitivity analysis for models with many input parameters, which renders forward sensitivity analysis computationally overwhelming. In critical systems, GPT involves the solution of the adjoint form of the eigenvalue problem with a response-dependent fixed source. Although conceptually simple to implement, most neutronics codes that can solve the adjoint eigenvalue problem do not have a GPT capability unless envisioned during code development. We introduce in this manuscript a reduced-order modeling approach based on subspace methods that requires the solution of the fundamental adjoint equations but allows the generation of response sensitivities without the need to set up GPT equations, and that provides an estimate of the error resulting from the reduction. Moreover, the new approach solves the eigenvalue problem independently of the number or type of responses. This allows for an efficient computation of sensitivities when many responses are required. This paper introduces the theory and implementation details of the GPT-free approach and describes how the errors could be estimated as part of the analysis. The applicability is demonstrated by estimating the variations in the flux distribution everywhere in the phase space of a fast critical sphere and a high-temperature gas-cooled reactor prismatic lattice. The variations generated by the GPT-free approach are benchmarked to the exact variations generated by direct forward perturbations. C1 [Kennedy, Chris; Abdel-Khalik, Hany] N Carolina State Univ, Raleigh, NC 27695 USA. [Rabiti, Cristian] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Kennedy, C (reprint author), N Carolina State Univ, Raleigh, NC 27695 USA. EM abdelkhalik@ncsu.edu FU Idaho National Laboratory under U.S. Department of Energy [DE-AC07-05ID14517] FX This research was supported by an Idaho National Laboratory-funded LDRD grant under U.S. Department of Energy contract DE-AC07-05ID14517. NR 33 TC 5 Z9 5 U1 1 U2 5 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 AUG PY 2012 VL 179 IS 2 BP 169 EP 179 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 973UG UT WOS:000306384700001 ER PT J AU Renaut, RA Lin, YZ Guo, HB AF Renaut, Rosemary A. Lin, Youzuo Guo, Hongbin TI Multisplitting for regularized least squares with Krylov subspace recycling SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Article DE least squares; multisplitting; Tikhonov regularization; ill-posed problem; Krylov subspace; additive Schwarz ID SPARSE LINEAR-EQUATIONS; RIGHT-HAND SIDES; PROJECTION METHODS; ITERATIVE METHODS; SYSTEMS; CONVERGENCE; ALGORITHM; MATRICES; LSQR AB The method of multisplitting (MS), implemented as a restricted additive Schwarz type algorithm, is extended for the solution of regularized least squares problems. The presented non-stationary version of the algorithm uses dynamic updating of the weights applied to the subdomains in reconstituting the global solution. Standard convergence results follow from extensive prior literature on linear MS schemes. Additional convergence results on nonstationary iterations yield convergence conditions for the presented nonstationary MS algorithm. The global iteration uses repeated solves of local problems with changing right hand sides but a fixed system matrix. These problems are solved inexactly using a conjugate gradient least squares algorithm which provides a seed Krylov subspace. Recycling of the seed system Krylov subspace to obtain the solutions of subsequent nearby systems of equations improves the overall efficiency of the MS algorithm, and is apparently novel in this context. The obtained projected solution is not always of sufficient accuracy to satisfy a reasonable inner convergence condition on the local solution. Improvements to accuracy may be achieved by reseeding the solution space either every few steps, or when the successive right hand sides are sufficiently close as measured by a provided tolerance. Restarting and augmenting the solution space are also discussed. Any time a new space is generated it is used for subsequent steps. Numerical simulations validate the use of the recycling algorithm. These numerical experiments use the standard reconstruction of the two dimensional SheppLogan phantom, as well as a two dimensional problem from seismic tomography. Copyright (c) 2011 John Wiley & Sons, Ltd. C1 [Renaut, Rosemary A.] Arizona State Univ, Sch Math & Stat Sci, Tempe, AZ 85287 USA. [Lin, Youzuo] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Guo, Hongbin] Instarecon Inc, Champaign, IL 61820 USA. RP Renaut, RA (reprint author), Arizona State Univ, Sch Math & Stat Sci, Tempe, AZ 85287 USA. EM renaut@asu.edu FU NSF [DMS 0652833, DMS 0966270, DMS 0937737]; Arizona Center for Alzheimer's Disease Research; Arizona Department of Health Services; NIH [EB 2553301] FX This paper was supported by NSF with grant numbers DMS 0652833, DMS 0966270, and DMS 0937737; Arizona Center for Alzheimer's Disease Research, funded by the Arizona Department of Health Services; and NIH with grant number EB 2553301. NR 34 TC 0 Z9 0 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1070-5325 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD AUG PY 2012 VL 19 IS 4 BP 655 EP 676 DI 10.1002/nla.797 PG 22 WC Mathematics, Applied; Mathematics SC Mathematics GA 972LO UT WOS:000306278800004 ER PT J AU Lee, B AF Lee, B. TI Space-angle-energy multigrid methods for Sn discretizations of the multi-energetic Boltzmann equation SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Article DE Boltzmann equation; transport; multigrid method; Sn discretizations; multi-energetic ID ACCELERATION AB In a recent article, the author presented several improved multiple-coarsening/semi-coarsening schemes for Sn discretizations of the Boltzmann transport equation, improved over the original multiple-coarsening/semi-coarsening schemes. These improvements were derived from detailed space-angle descriptions of the near-nullspace components of the integral equation operator. In this paper, we use the techniques of this article to derive a description of the near-nullspace components of the multi-energetic Boltzmann equation, and use this description to develop a space-angle-energy multigrid method for this equation. This multigrid method is a scheme for solving a high-dimensional equation: for spatial 3-d, the equation is 6-d; for spatial 2-d, the equation is 5-d. This method is more robust and efficient than both the commonly used block Gauss-Seidel iteration that requires solving mono-energetic Boltzmann equations, and the improved multiple-coarsening/semi-coarsening schemes simultaneously applied to all the energy groups. Numerical experiments applied to multi-energetic equations with isotropic scattering cross-sections that simulate Compton-like scattering and fission, as well as anisotropic scattering cross-sections, are performed to demonstrate the effectiveness of the new scheme. Copyright (c) 2011 John Wiley & Sons, Ltd. C1 Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA. RP Lee, B (reprint author), Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA. EM Barry.Lee@pnl.gov NR 14 TC 1 Z9 1 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1070-5325 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD AUG PY 2012 VL 19 IS 4 BP 773 EP 795 DI 10.1002/nla.808 PG 23 WC Mathematics, Applied; Mathematics SC Mathematics GA 972LO UT WOS:000306278800010 ER PT J AU Blanchette, C Lacayo, CI Fischer, NO Hwang, M Thelen, MP AF Blanchette, Craig Lacayo, Catherine I. Fischer, Nicholas O. Hwang, Mona Thelen, Michael P. TI Enhanced Cellulose Degradation Using Cellulase-Nanosphere Complexes SO PLOS ONE LA English DT Article ID TRACHEARY ELEMENTS; CLOSTRIDIUM-THERMOCELLUM; BIOMASS CONVERSION; CELL; BINDING; LIGNIN; ZINNIA; NANOPARTICLES; ENZYMES; DIFFERENTIATION AB Enzyme catalyzed conversion of plant biomass to sugars is an inherently inefficient process, and one of the major factors limiting economical biofuel production. This is due to the physical barrier presented by polymers in plant cell walls, including semi-crystalline cellulose, to soluble enzyme accessibility. In contrast to the enzymes currently used in industry, bacterial cellulosomes organize cellulases and other proteins in a scaffold structure, and are highly efficient in degrading cellulose. To mimic this clustered assembly of enzymes, we conjugated cellulase obtained from Trichoderma viride to polystyrene nanospheres (cellulase: NS) and tested the hydrolytic activity of this complex on cellulose substrates from purified and natural sources. Cellulase: NS and free cellulase were equally active on soluble carboxymethyl cellulose (CMC); however, the complexed enzyme displayed a higher affinity in its action on microcrystalline cellulose. Similarly, we found that the cellulase: NS complex was more efficient in degrading natural cellulose structures in the thickened walls of cultured wood cells. These results suggest that nanoparticle-bound enzymes can improve catalytic efficiency on physically intractable substrates. We discuss the potential for further enhancement of cellulose degradation by physically clustering combinations of different glycosyl hydrolase enzymes, and applications for using cellulase: NS complexes in biofuel production. C1 [Blanchette, Craig; Lacayo, Catherine I.; Fischer, Nicholas O.; Hwang, Mona; Thelen, Michael P.] Lawrence Livermore Natl Lab, Phys & Life Sci, Livermore, CA 94550 USA. RP Blanchette, C (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci, Livermore, CA 94550 USA. EM blanchette2@llnl.gov; mthelen@llnl.gov RI Thelen, Michael/C-6834-2008; Thelen, Michael/G-2032-2014 OI Thelen, Michael/0000-0002-2479-5480; Thelen, Michael/0000-0002-2479-5480 FU Department of Energy/Basic Energy Research BR [KP1601010] FX This work was supported by Department of Energy/Basic Energy Research B&R#: KP1601010. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 33 TC 12 Z9 13 U1 5 U2 41 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD AUG 1 PY 2012 VL 7 IS 8 AR e42116 DI 10.1371/journal.pone.0042116 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 984SU UT WOS:000307212800060 PM 22870287 ER PT J AU Sampathkumar, P Kim, SJ Manglicmot, D Bain, KT Gilmore, J Gheyi, T Phillips, J Pieper, U Fernandez-Martinez, J Franke, JD Matsui, T Tsuruta, H Atwell, S Thompson, DA Emtage, JS Wasserman, SR Rout, MP Sali, A Sauder, JM Almo, SC Burley, SK AF Sampathkumar, Parthasarathy Kim, Seung Joong Manglicmot, Danalyn Bain, Kevin T. Gilmore, Jeremiah Gheyi, Tarun Phillips, Jeremy Pieper, Ursula Fernandez-Martinez, Javier Franke, Josef D. Matsui, Tsutomu Tsuruta, Hiro Atwell, Shane Thompson, Devon A. Emtage, J. Spencer Wasserman, Stephen R. Rout, Michael P. Sali, Andrej Sauder, J. Michael Almo, Steven C. Burley, Stephen K. TI Atomic structure of the nuclear pore complex targeting domain of a Nup116 homologue from the yeast, Candida glabrata SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE nuclear pore complex; Nup116; Nup98; Nup100; Nup145; mRNA export; structural genomics ID HUMAN NUCLEOPORIN NUP98; SMALL-ANGLE SCATTERING; FUNCTIONAL-ANALYSIS; CYTOPLASMIC FACE; PROTEIN; CONFORMATIONS; ARCHITECTURE; ASSEMBLIES; REFINEMENT; ALIGNMENT AB The nuclear pore complex (NPC), embedded in the nuclear envelope, is a large, dynamic molecular assembly that facilitates exchange of macromolecules between the nucleus and the cytoplasm. The yeast NPC is an eightfold symmetric annular structure composed of similar to 456 polypeptide chains contributed by similar to 30 distinct proteins termed nucleoporins. Nup116, identified only in fungi, plays a central role in both protein import and mRNA export through the NPC. Nup116 is a modular protein with N-terminal FG repeats containing a Gle2p-binding sequence motif and a NPC targeting domain at its C-terminus. We report the crystal structure of the NPC targeting domain of Candida glabrata Nup116, consisting of residues 8821034 [CgNup116(8821034)], at 1.94 angstrom resolution. The X-ray structure of CgNup116(8821034) is consistent with the molecular envelope determined in solution by small-angle X-ray scattering. Structural similarities of CgNup116(8821034) with homologous domains from Saccharomyces cerevisiae Nup116, S. cerevisiae Nup145N, and human Nup98 are discussed. Proteins 2012; (c) 2012 Wiley Periodicals, Inc. C1 [Sampathkumar, Parthasarathy; Almo, Steven C.] Albert Einstein Coll Med, Dept Biochem, Bronx, NY 10461 USA. [Sampathkumar, Parthasarathy; Manglicmot, Danalyn; Bain, Kevin T.; Gilmore, Jeremiah; Gheyi, Tarun; Atwell, Shane; Thompson, Devon A.; Emtage, J. Spencer; Sauder, J. Michael; Burley, Stephen K.] Eli Lilly & Co, TS&T, Lilly Biotechnol Ctr, San Diego, CA 92121 USA. [Kim, Seung Joong; Phillips, Jeremy; Pieper, Ursula; Sali, Andrej] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94158 USA. [Kim, Seung Joong; Phillips, Jeremy; Pieper, Ursula; Sali, Andrej] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. [Kim, Seung Joong; Phillips, Jeremy; Pieper, Ursula; Sali, Andrej] Univ Calif San Francisco, Calif Inst Quantitat Biosci, San Francisco, CA 94158 USA. [Phillips, Jeremy] Univ Calif San Francisco, Grad Grp Biol & Med Informat, San Francisco, CA 94158 USA. [Fernandez-Martinez, Javier; Franke, Josef D.; Rout, Michael P.] Rockefeller Univ, Lab Cellular & Struct Biol, New York, NY 10065 USA. [Matsui, Tsutomu; Tsuruta, Hiro] Stanford Univ, SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Wasserman, Stephen R.] Eli Lilly & Co, LRL CAT, Adv Photon Source, Argonne Natl Lab, Argonne, IL 60439 USA. RP Sampathkumar, P (reprint author), Albert Einstein Coll Med, Dept Biochem, Ullmann Bldg,Room 409,1300 Morris Pk Ave, Bronx, NY 10461 USA. EM psampath@aecom.yu.edu OI Fernandez-Martinez, Javier/0000-0003-0567-498X; Pieper, Ursula/0000-0002-3168-8122 FU NIH [U01 GM098256, U54 GM074945, U54 GM094662, NIH R01 GM062427, NIH R01 GM083960, NIH U54 RR022220]; US Department of Energy, Office of Basic Energy Sciences; DOE Office of Biological and Environmental Research; National Institutes of Health, National Center for Research Resources, Biomedical Technology Program [P41RR001209] FX Grant sponsors: NIH Grants U01 GM098256, U54 GM074945, U54 GM094662, NIH R01 GM062427 (MPR), NIH R01 GM083960, NIH U54 RR022220, The US Department of Energy, Office of Basic Energy Sciences, the DOE Office of Biological and Environmental Research; Grant sponsor: The National Institutes of Health, National Center for Research Resources, Biomedical Technology Program; Grant number: P41RR001209. NR 43 TC 3 Z9 4 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-3585 J9 PROTEINS JI Proteins PD AUG PY 2012 VL 80 IS 8 BP 2110 EP 2116 DI 10.1002/prot.24102 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 970MA UT WOS:000306132400019 PM 22544723 ER PT J AU Teng, BT Zhao, Y Wu, FM Wen, XD Chen, QP Huang, WX AF Teng, Bo-Tao Zhao, Yue Wu, Feng-Min Wen, Xiao-Dong Chen, Qiao-Ping Huang, Wei-Xin TI A density functional theory study of CF3CH2I adsorption and reaction on Ag(111) SO SURFACE SCIENCE LA English DT Article DE Density functional theory; Ag(111); CF3CH2I; Charge density difference; Density of states ID CARBON BOND FORMATION; MINIMUM ENERGY PATHS; AUGMENTED-WAVE METHOD; ELASTIC BAND METHOD; METHYLENE INSERTION; FLUORINE SUBSTITUTION; COUPLING REACTION; SADDLE-POINTS; SURFACE; CU(111) AB The adsorption and reaction behaviors of CF3CH2I on Ag(111) were systematically studied by density functional theory (DFT) calculations. Physical adsorption of CF3CH2I on Ag(111) occurs due to the weak interactions between surface Ag atoms and iodine atom of CF3CH2I; while strong chemisorption occurs for CF3CH2 fragment on Ag(111). Electronic analysis indicates that the singly occupied molecular orbital (SOMO) of CF3CH2 strongly interacts with the surface Ag atoms. It is very interesting to find that the most stable structures of CF3CH2 on Ag(111) locate at the top site, instead of the hollow sites. This might be attributed to the facts that CF3CH2 adsorbed at the top site will maximize the sp(3)-type hybridization, and the possible weak interaction between the fluorine lone pair electrons of p orbitals for CF3CH2 and surface Ag(111) occurs, which is supported by the charge density difference (CDD) analysis with a low isosurface value. We propose that the charge density difference (COD) analysis with a high or low isosurface value can be widely applied to analyze the strong or weak electronic interactions upon adsorption. Transition state calculations suggested that the energy barrier of C-F bond rupture for CF3CH2I on Ag(111) (1.44 eV) is much higher than that of C-I bond breakage for CF3CH2I (0.43 eV); and the activation energy of the C-F bond dissociation for CF3CH2(a) is 0.67 eV. (C) 2012 Elsevier B.V. All rights reserved. C1 [Teng, Bo-Tao; Zhao, Yue; Wu, Feng-Min; Chen, Qiao-Ping] Zhejiang Normal Univ, Inst Phys Chem, Minist Educ Adv Catalysis Mat, Key Lab, Jinhua 321004, Peoples R China. [Wen, Xiao-Dong] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Huang, Wei-Xin] Univ Sci & Technol China, Dept Chem Phys, Hefei 230026, Peoples R China. RP Teng, BT (reprint author), Zhejiang Normal Univ, Inst Phys Chem, Minist Educ Adv Catalysis Mat, Key Lab, Jinhua 321004, Peoples R China. EM tbt@zjnu.cn; huangwx@ustc.edu.cn RI Lujan Center, LANL/G-4896-2012; HUANG, Weixin/A-8925-2008; Wen, Xiaodong/G-5227-2011 OI Wen, Xiaodong/0000-0001-8161-9742 FU National Natural Science Foundation of China [20903081]; Synfuels China Co., Ltd. FX This work was supported by the National Natural Science Foundation of China (Grant No. 20903081) and Synfuels China Co., Ltd. NR 35 TC 2 Z9 2 U1 4 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD AUG PY 2012 VL 606 IS 15-16 BP 1227 EP 1232 DI 10.1016/j.susc.2012.04.001 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 966NV UT WOS:000305845600020 ER PT J AU Tscharntke, T Tylianakis, JM Rand, TA Didham, RK Fahrig, L Batary, P Bengtsson, J Clough, Y Crist, TO Dormann, CF Ewers, RM Frund, J Holt, RD Holzschuh, A Klein, AM Kleijn, D Kremen, C Landis, DA Laurance, W Lindenmayer, D Scherber, C Sodhi, N Steffan-Dewenter, I Thies, C van der Putten, WH Westphal, C AF Tscharntke, Teja Tylianakis, Jason M. Rand, Tatyana A. Didham, Raphael K. Fahrig, Lenore Peter Batary Bengtsson, Janne Clough, Yann Crist, Thomas O. Dormann, Carsten F. Ewers, Robert M. Fruend, Jochen Holt, Robert D. Holzschuh, Andrea Klein, Alexandra M. Kleijn, David Kremen, Claire Landis, Doug A. Laurance, William Lindenmayer, David Scherber, Christoph Sodhi, Navjot Steffan-Dewenter, Ingolf Thies, Carsten van der Putten, Wim H. Westphal, Catrin TI Landscape moderation of biodiversity patterns and processes - eight hypotheses SO BIOLOGICAL REVIEWS LA English DT Review DE beta diversity; belowground-aboveground patterns; conservation management; ecosystem functioning and services; functional traits; insurance hypothesis; landscape composition and configuration; multitrophic interactions; resilience and stability; spatial heterogeneity ID DIFFERENT SPATIAL SCALES; AGRI-ENVIRONMENT SCHEMES; LAND-USE INTENSITY; EXPERIMENTALLY FRAGMENTED LANDSCAPE; SPECIES-AREA RELATIONSHIPS; TROPICAL HABITAT GRADIENT; SOIL DECOMPOSER COMMUNITY; BIOLOGICAL-CONTROL AGENTS; NATURAL ENEMY DIVERSITY; FOOD-WEB STRUCTURE AB Understanding how landscape characteristics affect biodiversity patterns and ecological processes at local and landscape scales is critical for mitigating effects of global environmental change. In this review, we use knowledge gained from human-modified landscapes to suggest eight hypotheses, which we hope will encourage more systematic research on the role of landscape composition and configuration in determining the structure of ecological communities, ecosystem functioning and services. We organize the eight hypotheses under four overarching themes. Section A: landscape moderation of biodiversity patterns' includes (1) the landscape species pool hypothesisthe size of the landscape-wide species pool moderates local (alpha) biodiversity, and (2) the dominance of beta diversity hypothesislandscape-moderated dissimilarity of local communities determines landscape-wide biodiversity and overrides negative local effects of habitat fragmentation on biodiversity. Section B: landscape moderation of population dynamics' includes (3) the cross-habitat spillover hypothesislandscape-moderated spillover of energy, resources and organisms across habitats, including between managed and natural ecosystems, influences landscape-wide community structure and associated processes and (4) the landscape-moderated concentration and dilution hypothesisspatial and temporal changes in landscape composition can cause transient concentration or dilution of populations with functional consequences. Section C: landscape moderation of functional trait selection includes (5) the landscape-moderated functional trait selection hypothesislandscape moderation of species trait selection shapes the functional role and trajectory of community assembly, and (6) the landscape-moderated insurance hypothesislandscape complexity provides spatial and temporal insurance, i.e. high resilience and stability of ecological processes in changing environments. Section D: landscape constraints on conservation management' includes (7) the intermediate landscape-complexity hypothesislandscape-moderated effectiveness of local conservation management is highest in structurally simple, rather than in cleared (i.e. extremely simplified) or in complex landscapes, and (8) the landscape-moderated biodiversity versus ecosystem service management hypothesislandscape-moderated biodiversity conservation to optimize functional diversity and related ecosystem services will not protect endangered species. Shifting our research focus from local to landscape-moderated effects on biodiversity will be critical to developing solutions for future biodiversity and ecosystem service management. C1 [Tscharntke, Teja; Peter Batary; Clough, Yann; Fruend, Jochen; Scherber, Christoph; Thies, Carsten; Westphal, Catrin] Univ Gottingen, Dept Crop Sci, D-37077 Gottingen, Germany. [Tylianakis, Jason M.; Didham, Raphael K.] Univ Canterbury, Sch Biol Sci, Christchurch 8140, New Zealand. [Rand, Tatyana A.] ARS, USDA, No Plains Agr Res Lab, Sidney, MT 59270 USA. [Didham, Raphael K.] Univ Western Australia, Sch Anim Biol, Crawley, WA 6009, Australia. [Didham, Raphael K.] CSIRO Entomol, Ctr Environm & Life Sci, Floreat, WA 6014, Australia. [Fahrig, Lenore] Carleton Univ, Dept Biol, Geomat & Landscape Ecol Lab, Ottawa, ON K1S 5B6, Canada. [Peter Batary] MTA ELTE MTM Ecol Res Grp, H-1083 Budapest, Hungary. [Bengtsson, Janne] Swedish Univ Agr Sci, Dept Ecol, S-75007 Uppsala, Sweden. [Crist, Thomas O.] Miami Univ, Inst Environm & Sustainabil, Oxford, OH 45056 USA. [Crist, Thomas O.] Miami Univ, Dept Zool, Oxford, OH 45056 USA. [Dormann, Carsten F.] UFZ Helmholtz Ctr Environm Res, Dept Computat Landscape Ecol, D-04318 Leipzig, Germany. [Ewers, Robert M.] Univ London Imperial Coll Sci Technol & Med, Dept Life Sci, Ascot SL5 7PY, Berks, England. [Holt, Robert D.] Univ Florida, Gainesville, FL 32611 USA. [Holzschuh, Andrea; Steffan-Dewenter, Ingolf] Univ Wurzburg, Bioctr, Dept Anim Ecol & Trop Biol, D-97074 Wurzburg, Germany. [Klein, Alexandra M.] Univ Luneburg, Inst Ecol & Environm Chem, Fac 3, D-21335 Luneburg, Germany. [Kleijn, David] Alterra, Ctr Ecosyst Studies, NL-6700 AA Wageningen, Netherlands. [Kremen, Claire] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Landis, Doug A.] Michigan State Univ, Dept Entomol, E Lansing, MI 48824 USA. [Landis, Doug A.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Laurance, William] James Cook Univ, Ctr Trop Environm & Sustainabil Sci TESS, Cairns, Qld 4870, Australia. [Laurance, William] James Cook Univ, Sch Marine & Trop Biol, Cairns, Qld 4870, Australia. [Lindenmayer, David] Australian Natl Univ, Fenner Sch Environm & Soc, Canberra, ACT 0200, Australia. [Sodhi, Navjot] Natl Univ Singapore, Dept Biol Sci, Singapore 117543, Singapore. [van der Putten, Wim H.] Netherlands Inst Ecol, NL-6700 AB Wageningen, Netherlands. [van der Putten, Wim H.] Univ Wageningen & Res Ctr, Nematol Lab, NL-6700 ES Wageningen, Netherlands. RP Tscharntke, T (reprint author), Univ Gottingen, Dept Crop Sci, Grisebachstr 6, D-37077 Gottingen, Germany. EM ttschar@gwdg.de RI Scherber, Christoph/B-6611-2009; Didham, Raphael/B-5953-2011; James Cook University, TESS/B-8171-2012; van der Putten, Wim/C-3707-2011; Batary, Peter/A-2349-2008; Clough, Yann/B-9739-2014; Tylianakis, Jason/B-6634-2011; Tscharntke, Teja/N-5123-2014; Research ID, CTBCC /O-3564-2014; Westphal, Catrin/F-9560-2015; OI Scherber, Christoph/0000-0001-7924-8911; Kleijn, David/0000-0003-2500-7164; Dormann, Carsten/0000-0002-9835-1794; van der Putten, Wim/0000-0002-9341-4442; Batary, Peter/0000-0002-1017-6996; Clough, Yann/0000-0002-2901-7602; Tylianakis, Jason/0000-0001-7402-5620; Westphal, Catrin/0000-0002-2615-1339; Frund, Jochen/0000-0002-7079-3478; Steffan-Dewenter, Ingolf/0000-0003-1359-3944 FU German Ministry of Research and Education (BMBF); German Research Foundation (DFG); Helmholtz Association [VH-NG-247]; Marsden Fund of New Zealand [UOC-0802]; Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation; University of Florida Foundation; EU [226852, 244090-STEP-CP-FP]; US National Science Foundation; US Department of Energy Great Lakes Bioenergy Research Center FX We note with sadness the passing of our friend and colleague Navjot Sodhi, and hope that he would have approved of the revised version of this manuscript. Author sequence follows the "sequence-determines-credit" (from T. T. to L. F.) and the "equal-contribution'' norm (from P. B. to C. W.) (see Tscharntke et al., 2007b). Two anonymous reviewers provided very thoughtful advice. Financial support for T. T., Y.C., A. H., A. M. K., C. S., I. S. D., C. T., J.F. and C. W. came from the German Ministry of Research and Education (BMBF) and the German Research Foundation (DFG), for T. T., P. B. and C. F. D. from the Helmholtz Association (VH-NG-247, Research Group BESS "Biological Ecosystem Services''), for J.M.T. and R. K. D. from the Marsden Fund of New Zealand (UOC-0802), for L. F. from the Natural Sciences and Engineering Research Council of Canada and the Canada Foundation for Innovation, to R. D. H. from the University of Florida Foundation, for I. S. D. and A. H. from the EU FP7 projects "SCALES" (Contract No. 226852) and "STEP" (Contract No. 244090-STEP-CP-FP), and for D. A. L. from the US National Science Foundation Long-Term Ecological Research Program and the US Department of Energy Great Lakes Bioenergy Research Center. P. B. was a Bolyai Research Fellow of the Hungarian Academy of Sciences. Susanne Schiele is gratefully acknowledged for her help. NR 329 TC 339 Z9 356 U1 95 U2 931 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1464-7931 EI 1469-185X J9 BIOL REV JI Biol. Rev. PD AUG PY 2012 VL 87 IS 3 BP 661 EP 685 DI 10.1111/j.1469-185X.2011.00216.x PG 25 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 968OL UT WOS:000305992300010 PM 22272640 ER PT J AU Fuest, F Barlow, RS Chen, JY Dreizler, A AF Fuest, Frederik Barlow, Robert S. Chen, Jyh-Yuan Dreizler, Andreas TI Raman/Rayleigh scattering and CO-LIF measurements in laminar and turbulent jet flames of dimethyl ether SO COMBUSTION AND FLAME LA English DT Article DE Dimethyl ether; Raman/Rayleigh scattering; Raman spectroscopy; Combustion diagnostics; Hydrocarbon intermediates; Rayleigh cross-sections ID RAMAN-SCATTERING; RAYLEIGH-SCATTERING; SCALAR DISSIPATION; NONPREMIXED FLAMES; DEPOLARIZATION RATIO; METHANE/AIR FLAMES; CROSS-SECTIONS; SOOTING FLAME; NO FORMATION; COMBUSTION AB To reduce the impact of combustion of fossil fuels on air quality and climate change, dimethyl ether (DME) is a promising alternative diesel fuel candidate. Technical combustion processes, including formation of pollutants, are influenced by turbulence-chemistry interaction. Therefore, accurate prediction by computational combustion models of combustion systems burning DME must account for multiple scalars and scalar gradients. The testing of such models requires detailed experiments. Here a study is presented on the feasibility of simultaneous species and temperature measurements in turbulent dimethyl ether flames, using line-imaged Raman/Rayleigh scattering of the major species H-2, O-2, N-2, CO, CO2, H2O, C2H6O and laser induced fluorescence of CO. The measurement system and data evaluation methods developed to investigate methane-air flames are extended to address dimethyl ether flames. The Raman signal intensity and spectral shape of the Raman scattering from dimethyl ether over a range of temperatures are presented, based on measurements in electrically heated flows and laminar jet flames. These data are used to develop an iterative method for data evaluation that allows determination of indispensable crosstalk correction terms for the concentration measurements of O-2 and CO2. Issues of fluorescence interferences, mainly from C-2 radicals on the fuel-rich side of the reaction zone, and their corrections are discussed. Laminar flame calculations are used to investigate the role of the intermediate species (CH4, CH2O, C2H4, C2H2, C2H6, CH3) in the reaction zone. In particular, their effect on the mixture fraction calculation and its relationship to the experimentally determined mixture fraction is examined. The impact of the intermediate species on deviations in concentration and temperature profiles due to species-specific Raman- and Rayleigh scattering cross-sections is demonstrated. Finally, species concentrations and temperature profiles from measurements in a turbulent piloted jet flame of dimethyl ether are shown. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Fuest, Frederik; Dreizler, Andreas] Tech Univ Darmstadt, Ctr Smart Interfaces, FG React Flows & Diagnost, D-64287 Darmstadt, Germany. [Barlow, Robert S.] Sandia Natl Labs, Livermore, CA USA. [Chen, Jyh-Yuan] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Fuest, F (reprint author), Tech Univ Darmstadt, Ctr Smart Interfaces, FG React Flows & Diagnost, Petersenstr 32, D-64287 Darmstadt, Germany. EM fuest@csi.tu-darmstadt.de RI Barlow, Robert/C-2364-2013 FU Deutsche Forschungsgemeinschaft [SFB 568, EXC 259]; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy; United States Department of Energy [DE-AC04-94-AL85000] FX F. Fuest and A. Dreizler kindly acknowledge financial support by Deutsche Forschungsgemeinschaft SFB 568 and EXC 259. Work performed at Sandia was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94-AL85000. The help of R. Harmon during the experiments is gratefully acknowledged. NR 58 TC 25 Z9 25 U1 8 U2 51 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2012 VL 159 IS 8 SI SI BP 2533 EP 2562 DI 10.1016/j.combustflame.2011.11.001 PG 30 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 969CF UT WOS:000306032600002 ER PT J AU Barlow, RS Dunn, MJ Sweeney, MS Hochgreb, S AF Barlow, Robert S. Dunn, Matthew J. Sweeney, Mark S. Hochgreb, Simone TI Effects of preferential transport in turbulent bluff-body-stabilized lean premixed CH4/air flames SO COMBUSTION AND FLAME LA English DT Article DE Turbulent premixed flames; Bluff-body flames; Differential diffusion; Preferential transport; Multiscalar diagnostics ID HYDROGEN-AIR FLAMES; DIFFERENTIAL DIFFUSION; LASER DIAGNOSTICS; STRATIFIED FLAMES; LEWIS NUMBER; COMBUSTION; TEMPERATURES; SCATTERING AB Preferential species diffusion is known to have important effects on local flame structure in turbulent premixed flames, and differential diffusion of heat and mass can have significant effects on both local flame structure and global flame parameters, such as turbulent flame speed. However, models for turbulent premixed combustion normally assume that atomic mass fractions are conserved from reactants to fully burnt products. Experiments reported here indicate that this basic assumption may be incorrect for an important class of turbulent flames. Measurements of major species and temperature in the near field of turbulent, bluff-body stabilized, lean premixed methane-air flames (Le = 0.98) reveal significant departures from expected conditional mean compositional structure in the combustion products as well as within the flame. Net increases exceeding 10% in the equivalence ratio and the carbon-to-hydrogen atom ratio are observed across the turbulent flame brush. Corresponding measurements across an unstrained laminar flame at similar equivalence ratio are in close agreement with calculations performed using Chemkin with the GRI 3.0 mechanism and multi-component transport, confirming accuracy of experimental techniques. Results suggest that the large effects observed in the turbulent bluff-body burner are cause by preferential transport of H-2 and H2O through the preheat zone ahead of CO2 and CO, followed by convective transport downstream and away from the local flame brush. This preferential transport effect increases with increasing velocity of reactants past the bluff body and is apparently amplified by the presence of a strong recirculation zone where excess CO2 is accumulated. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Barlow, Robert S.; Dunn, Matthew J.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. [Sweeney, Mark S.; Hochgreb, Simone] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England. RP Barlow, RS (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. EM barlow@sandia.gov RI Barlow, Robert/C-2364-2013 FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy; United States Department of Energy [DE-AC04-94-AL85000]; EPSRC; Rolls-Royce FX Sandia authors were supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94-AL85000. Cambridge authors were supported by EPSRC and Rolls-Royce. Contributions by Bob Harmon in support of these experiments are gratefully acknowledged. Forman Williams and Ed Richardson contributed insightful comments regarding the potential importance of H2O transport and the presence of the recirculation zone, respectively. NR 29 TC 38 Z9 38 U1 2 U2 21 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2012 VL 159 IS 8 SI SI BP 2563 EP 2575 DI 10.1016/j.combustflame.2011.11.013 PG 13 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 969CF UT WOS:000306032600003 ER PT J AU Hawkes, ER Chatakonda, O Kolla, H Kerstein, AR Chen, JH AF Hawkes, Evatt R. Chatakonda, Obulesu Kolla, Hemanth Kerstein, Alan R. Chen, Jacqueline H. TI A petascale direct numerical simulation study of the modelling of flame wrinkling for large-eddy simulations in intense turbulence SO COMBUSTION AND FLAME LA English DT Article DE Direct numerical simulation; Premixed combustion; Large eddy simulation; Flame speed; Fractal ID PREMIXED HYDROGEN/AIR FLAMES; SURFACE-DENSITY; BOUNDARY-CONDITIONS; BURNING VELOCITY; DYNAMIC FORMULATION; FRACTAL DIMENSION; FRONT PROPAGATION; STRAIN-RATE; AIR FLAMES; COMBUSTION AB A new set of petascale direct numerical simulations (DNS) modelling lean hydrogen combustion with detailed chemistry in a temporally evolving slot-jet configuration is presented as a database for the development and validation of models for premixed turbulent combustion. The jet Reynolds number is 10,000, requiring grid numbers up to nearly seven billion, which was achieved by computation on 120,000 processor cores. In contrast to many prior DNS studies, a mean shear exists that drives strong turbulent mixing within the flame structure. Three cases are simulated with different Damkohler numbers, while Reynolds number is held fixed. Basic statistics are presented showing that integrated burning rates up to approximately six times the laminar burning rate are obtained. It is shown that increased flame surface area accounts for most of the enhanced burning while increases in the burning rate per unit area also play an important contribution. The database is then used to assess a new model of flame wrinkling intended for large-eddy simulations (LES). The approach draws on concepts from fractal geometry, requiring the modelling of an inner cut-off scale representing the smallest scale of flame wrinkling, and the fractal dimension controlling the resolution dependence of the unresolved flame surface area. In contrast to previous modelling, it is argued that the inner cut-off should be filter-size invariant in an inertial range. Then, dimensional and physical reasoning together with Damkohler's limiting scaling laws for the turbulent flame speed are used to infer the cut-off and fractal dimension in limiting regimes. Two methods of determining the fractal dimension are proposed: a static, algebraic expression or a dynamic approach exploiting a Germanotype identity. Finally the model is compared against the DNS in a priori tests and is found to give excellent results, quantitatively capturing the trends with time, space, filter size and Damkohler number. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Hawkes, Evatt R.; Chatakonda, Obulesu] Univ New S Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia. [Hawkes, Evatt R.] Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia. [Kolla, Hemanth; Kerstein, Alan R.; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Hawkes, ER (reprint author), Univ New S Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia. EM evatt.hawkes@unsw.edu.au RI Kolla, Hemanth/L-2142-2013; Hawkes, Evatt/C-5307-2012 OI Kolla, Hemanth/0000-0003-4969-5870; Hawkes, Evatt/0000-0003-0539-7951 FU Australian Research Council [FT100100536]; Division of Chemical Sciences, Geosciences and Biosciences, the Office of Basic Energy Sciences, the US Department of Energy (DOE); Office of Science of the DOE [DE-AC05-00OR22725] FX Evatt Hawkes gratefully acknowledges the support of the Australian Research Council under the Future Fellowships program, Grant No. FT100100536. The work at Sandia National Laboratories was supported by the Division of Chemical Sciences, Geosciences and Biosciences, the Office of Basic Energy Sciences, the US Department of Energy (DOE). This research used resources of the National Center for Computational Sciences at Oak Ridge National Laboratory (NCCS/ORNL) which is supported by the Office of Science of the DOE under contract No. DE-AC05-00OR22725. The research was also supported by computational resources on the Australian NCI National Facility through the National Computational Merit Allocation Scheme. Evatt Hawkes and Obulesu Chatakonda acknowledge the support of the Stanford Centre for Turbulence Research during their stay for the 2010 CTR Summer Program. NR 87 TC 51 Z9 51 U1 2 U2 39 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2012 VL 159 IS 8 SI SI BP 2690 EP 2703 DI 10.1016/j.combustflame.2011.11.020 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 969CF UT WOS:000306032600011 ER PT J AU Kolla, H Grout, RW Gruber, A Chen, JH AF Kolla, Hemanth Grout, Ray W. Gruber, Andrea Chen, Jacqueline H. TI Mechanisms of flame stabilization and blowout in a reacting turbulent hydrogen jet in cross-flow SO COMBUSTION AND FLAME LA English DT Article DE Flame stabilization; Transverse jets; Hydrogen combustion ID DIRECT NUMERICAL-SIMULATION; BOUNDARY-CONDITIONS; HEATED COFLOW; COMBUSTION; CURVATURE; VELOCITY; FUEL AB The mechanisms contributing to flame stabilization and blowout in a nitrogen-diluted hydrogen transverse jet in a turbulent boundary layer cross-flow (JICF) are investigated using three-dimensional direct numerical simulation (DNS) with detailed chemistry. Non-reacting JICF DNS were performed to understand the relative magnitude and physical location of low velocity regions on the leeward side of the fuel jet where a flame can potentially anchor. As the injection angle is reduced from 90 degrees to 70 degrees, the low velocity region was found to diminish significantly, both in terms of physical extent and magnitude, and hence, its ability to provide favorable conditions for flame anchoring and stabilization are greatly reduced. In the reacting JICF DNS a stable flame is observed for 90 degrees injection angle and, on average, the flame root is in the vicinity of low velocity magnitude and stoichiometric mixture. When the injection angle is smoothly transitioned to 75 degrees a transient flame blowout is observed. Ensemble averaged quantities on the flame base reveal two phases of the blowout characterized by a kinematic imbalance between flame propagation speed and flow normal velocity. In the first phase dominant flow structures repeatedly draw the flame base closer to the jet centerline resulting in richer-than-stoichiometric mixtures and high velocity magnitudes. In the second phase, in spite of low velocity magnitudes and a return to stoichiometry, due to jet bending and flame alignment normal to the cross-flow, the flow velocity normal to the flame base increases dramatically perpetuating the blowout. Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Kolla, Hemanth; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. [Grout, Ray W.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Gruber, Andrea] SINTEF Energy Res, N-7465 Trondheim, Norway. RP Kolla, H (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. EM hnkolla@sandia.gov RI Kolla, Hemanth/L-2142-2013 OI Kolla, Hemanth/0000-0003-4969-5870 FU office of Science of the US Department of Energy [DE-AC05-00OR22725]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy; US Department of Energy SciDAC Program; US DOE [DE-AC04-94AL85000, DE-AC36-08-GO28308]; National Renewable Energy Laboratory; CLIMIT programme of the Norwegian Research Council FX Computational support for this project was supported by and this research used resources of the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the office of Science of the US Department of Energy under Contract DE-AC05-00OR22725. The work at Sandia National Laboratories was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy and by the US Department of Energy SciDAC Program. SNL is a multiprogramme laboratory operated by Sandia Corporation, a Lockheed Martin Company for the US DOE under Contract DE-AC04-94AL85000. The work at NREL was supported by the US Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. The work at SINTEF was supported by the CLIMIT programme of the Norwegian Research Council. The authors would like to thank Dr. P.-T. Bremer, Dr. J.C. Bennett and Dr. A. Gyulassy for providing the codes for performing the jet path parametrization. NR 38 TC 27 Z9 27 U1 2 U2 35 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2012 VL 159 IS 8 SI SI BP 2755 EP 2766 DI 10.1016/j.combustflame.2012.01.012 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 969CF UT WOS:000306032600015 ER PT J AU Miao, Z Brusseau, ML Carroll, KC Carreon-Diazconti, C Johnson, B AF Miao, Z. Brusseau, M. L. Carroll, K. C. Carreon-Diazconti, C. Johnson, B. TI Sulfate reduction in groundwater: characterization and applications for remediation SO ENVIRONMENTAL GEOCHEMISTRY AND HEALTH LA English DT Review DE Groundwater pollution; Stable isotope analysis; Enhanced bioremediation; Natural attenuation ID ZERO-VALENT IRON; ACID-MINE DRAINAGE; SULFUR ISOTOPE FRACTIONATION; PERMEABLE REACTIVE BARRIER; IN-SITU BIOREDUCTION; REDUCING BACTERIA; CONTAMINATED AQUIFER; MICROBIAL SULFATE; ELECTRON-DONOR; CARBOXYMETHYL CELLULOSE AB Sulfate is ubiquitous in groundwater, with both natural and anthropogenic sources. Sulfate reduction reactions play a significant role in mediating redox conditions and biogeochemical processes for subsurface systems. They also serve as the basis for innovative in situ methods for groundwater remediation. An overview of sulfate reduction in subsurface environments is provided, along with a brief discussion of characterization methods and applications for addressing acid mine drainage. We then focus on two innovative, in situ methods for remediating sulfate-contaminated groundwater, the use of zero-valent iron and the addition of electron-donor substrates. The advantages and limitations associated with the methods are discussed, with examples of prior applications. C1 [Miao, Z.; Brusseau, M. L.] Univ Arizona, Dept Hydrol & Water Resources, Tucson, AZ 85721 USA. [Miao, Z.; Brusseau, M. L.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. [Carroll, K. C.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Carreon-Diazconti, C.] Univ Autonoma Baja California, Engn Inst, Mexicali 21100, Baja California, Mexico. [Carreon-Diazconti, C.] Brigham Young Univ, Dept Geol Sci, Provo, UT 84602 USA. [Johnson, B.] InTerraLogic Inc, Ft Collins, CO USA. RP Brusseau, ML (reprint author), Univ Arizona, Dept Hydrol & Water Resources, Harshbarger Bldg 11, Tucson, AZ 85721 USA. EM brusseau@email.arizona.edu RI Carroll, Kenneth/H-5160-2011 OI Carroll, Kenneth/0000-0003-2097-9589 FU University of Arizona TRIF Water Sustainability Program through the Center for Environmentally Sustainable Mining, Schlumberger Inc.; NIEHS [P42 ES04940] FX This research was supported by the University of Arizona TRIF Water Sustainability Program through the Center for Environmentally Sustainable Mining, Schlumberger Inc., and the NIEHS Superfund Research Program (P42 ES04940). NR 107 TC 5 Z9 7 U1 4 U2 84 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0269-4042 J9 ENVIRON GEOCHEM HLTH JI Environ. Geochem. Health PD AUG PY 2012 VL 34 IS 4 BP 539 EP 550 DI 10.1007/s10653-011-9423-1 PG 12 WC Engineering, Environmental; Environmental Sciences; Public, Environmental & Occupational Health; Water Resources SC Engineering; Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Water Resources GA 966HY UT WOS:000305829700013 PM 21947714 ER PT J AU Di Martino, B Mehofer, E Quinlan, D Schordan, M AF Di Martino, Beniamino Mehofer, Eduard Quinlan, Dan Schordan, Markus TI Graphical processing units and scientific applications SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Editorial Material C1 [Di Martino, Beniamino] Seconda Univ Napoli, I-81031 Aversa, CE, Italy. [Mehofer, Eduard] Univ Vienna, A-1010 Vienna, Austria. [Quinlan, Dan] Lawrence Livermore Natl Lab, ROSE Compiler Project, Livermore, CA 94550 USA. [Schordan, Markus] Univ Appl Sci Technikum Wien, Vienna, Austria. RP Di Martino, B (reprint author), Seconda Univ Napoli, Via Roma 29, I-81031 Aversa, CE, Italy. EM beniamino.dimartino@unina.it RI Di Martino, Beniamino/O-6876-2015 OI Di Martino, Beniamino/0000-0001-7613-1312 NR 0 TC 0 Z9 0 U1 0 U2 4 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD AUG PY 2012 VL 26 IS 3 BP 189 EP 191 DI 10.1177/1094342012448133 PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 969SF UT WOS:000306077700001 ER PT J AU Epperly, TGW Kumfert, G Dahlgren, T Ebner, D Leek, J Prantl, A Kohn, S AF Epperly, Thomas G. W. Kumfert, Gary Dahlgren, Tamara Ebner, Dietmar Leek, Jim Prantl, Adrian Kohn, Scott TI High-performance language interoperability for scientific computing through Babel SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Babel; distributed computing; high-performance computing; language interoperability; object-oriented; remote method invocation; scientific computing AB High-performance scientific applications are usually built from software modules written in multiple programming languages. This raises the issue of language interoperability which involves making calls between languages, converting basic types, and bridging disparate programming models. Babel provides a feature-rich, extensible, high-performance solution to the language interoperability problem currently supporting C, C++, FORTRAN 77, Fortran 90/95, Fortran 2003/2008, Python, and Java. Babel supports object-oriented programming features and interface semantics with runtime enforcement. In addition to in-process language interoperability, Babel includes remote method invocation to support hybrid parallel and distributed computing paradigms. C1 [Epperly, Thomas G. W.; Kumfert, Gary; Dahlgren, Tamara; Ebner, Dietmar; Leek, Jim; Prantl, Adrian; Kohn, Scott] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Epperly, TGW (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, POB 808, Livermore, CA 94551 USA. EM epperly2@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; program for Scientific Discovery through Advanced Computing (SciDAC) FX This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. In particular, this work has been supported by the program for Scientific Discovery through Advanced Computing (SciDAC). NR 37 TC 6 Z9 6 U1 1 U2 5 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD AUG PY 2012 VL 26 IS 3 BP 260 EP 274 DI 10.1177/1094342011414036 PG 15 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 969SF UT WOS:000306077700007 ER PT J AU Shabalovskaya, SA Anderegg, JW Undisz, A Rettenmayr, M Rondelli, GC AF Shabalovskaya, Svetlana A. Anderegg, James W. Undisz, Andreas Rettenmayr, Markus Rondelli, Gianni C. TI Corrosion resistance, chemistry, and mechanical aspects of Nitinol surfaces formed in hydrogen peroxide solutions SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART B-APPLIED BIOMATERIALS LA English DT Article DE Nitinol; hydrogen peroxide surface treatment; cyclic potentiodynamic and potentiostatic polarization; localized corrosion resistance; corrosion under stress; biocompatibility ID SHAPE-MEMORY ALLOY; NI-TI ALLOY; OXIDATION; WIRES; ASTROCYTE; TITANIUM; IMPLANTS; NICKEL AB Ti oxides formed naturally on Nitinol surfaces are only a few nanometers thick. To increase their thickness, heat treatments are explored. The resulting surfaces exhibit poor resistance to pitting corrosion. As an alternative approach to accelerate surface oxidation and grow thicker oxides, the exposure of Nitinol to strong oxidizing H2O2 aqueous solutions (3 and 30%) for various periods of time was used. Using X-Ray Photoelectron Spectroscopy (XPS) and Auger spectroscopy, it was found that the surface layers with variable Ti (615 at %) and Ni (513 at %) contents and the thickness up to 100 nm without Ni-enriched interfaces could be formed. The response of the surface oxides to stress in superelastic regime of deformations depended on oxide thickness. In the corrosion studies performed in both strained and strain-free states using potentiodynamic and potentiostatic polarizations, the surfaces treated in H2O2 showed no pitting in corrosive solution that was assigned to higher chemical homogeneity of the surfaces free of secondary phases and inclusions that assist better biocompatibility of Nitinol medical devices. (c) 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 100B: 14901499, 2012 C1 [Shabalovskaya, Svetlana A.; Undisz, Andreas; Rettenmayr, Markus] Univ Jena, Inst Mat Sci & Technol, D-07743 Jena, Germany. [Shabalovskaya, Svetlana A.; Anderegg, James W.] Iowa State Univ, Ames Lab DOE, Ames, IA 50011 USA. [Rondelli, Gianni C.] CNR, Inst Energy & Interphases, I-20133 Milan, Italy. RP Shabalovskaya, SA (reprint author), Univ Jena, Inst Mat Sci & Technol, D-07743 Jena, Germany. EM svetinol@yahoo.com FU U.S. Department of Energy [DE-AC02-07CH11358] FX The authors thank McD Schetky and Paul Adler for providing the material for the studies. This manuscript has been authorized by Iowa State University of Science and Technology under Contract No. DE-AC02-07CH11358 with the U.S. Department of Energy. NR 31 TC 2 Z9 2 U1 0 U2 29 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1552-4973 J9 J BIOMED MATER RES B JI J. Biomed. Mater. Res. Part B PD AUG PY 2012 VL 100B IS 6 BP 1490 EP 1499 DI 10.1002/jbm.b.32717 PG 10 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 968IS UT WOS:000305972800005 PM 22689286 ER PT J AU Kim, J Rotem, D AF Kim, Jinoh Rotem, Doron TI FREP: Energy proportionality for disk storage using replication SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Energy management; Fractional replication; Workload adaptation; Disk storage ID DYNAMIC POWER MANAGEMENT; DRPM AB Energy saving has become a crucial concern in datacenters as several reports predict that the anticipated energy costs over a three year period will exceed hardware acquisition. In particular, saving energy for storage is of major importance as storage devices (and cooling them off) may contribute over 25 percent of the total energy consumed in a datacenter. Recent work introduced the concept of energy proportionality and argued that it is a more relevant metric than just energy saving as it takes into account the tradeoff between energy consumption and performance. In this paper, we present a novel approach, called PREP (Fractional Replication for Energy Proportionality), for energy management in large datacenters. FREP includes a replication strategy and basic functions to enable flexible energy management. Specifically, our method provides performance guarantees by adaptively controlling the power states of a group of disks based on observed and predicted workloads. Our experiments using a set of real and synthetic traces show that FREP dramatically reduces energy requirements with a minimal response time penalty. (C) 2012 Elsevier Inc. All rights reserved. C1 [Kim, Jinoh; Rotem, Doron] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Kim, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM jinoh.kim@acm.org; d_rotem@lbl.gov FU Office of Science, Office of Advanced Scientific Computing Research, of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Advanced Scientific Computing Research, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 25 TC 4 Z9 4 U1 0 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD AUG PY 2012 VL 72 IS 8 BP 960 EP 974 DI 10.1016/j.jpdc.2012.03.010 PG 15 WC Computer Science, Theory & Methods SC Computer Science GA 965OA UT WOS:000305775900004 ER PT J AU Kubic, WL Jackson, JC AF Kubic, William L., Jr. Jackson, J. Christopher TI A thermodynamic model of plutonium (IV) nitrate solutions SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Plutonium nitrate; Solutions; Activity coefficients; Chemical equilibrium ID ACTIVITY-COEFFICIENTS; NITRIC-ACID; ELECTROLYTE SYSTEMS; LIQUID-EQUILIBRIUM; AQUEOUS-SOLUTIONS; COMPLEXES; ABSORPTION; MIXTURES; EQUATION AB Plutonium nitrate solutions contain a large number of chemical species and they exhibit significant deviations from ideal behavior. Modeling this system is challenging. A model that includes all known chemical species and accounts for nonideal solution behavior could contain several hundred unknown parameters, but insufficient published data exists for evaluating large numbers of parameters. A practical model of plutonium nitrate solutions, therefore, must be a compromise between the number of chemical species included and the number of parameters that can be evaluated from available data. A practical model of acidic plutonium nitrate was developed. The model, which was based on an extended UNIQUAC-Debye-Huckel equation, captures the essential behavior of the system with a minimum number of chemical species. It is capable of representing the vapor-liquid equilibrium data for the nitric acid-water system, the activity of water in the plutonium nitrate-nitric acid-water system, the distribution of plutonium-nitrate complexes in aqueous nitric acid solution, and plutonium adsorption on an anion exchange resin. C1 [Kubic, William L., Jr.; Jackson, J. Christopher] Los Alamos Natl Lab, Proc Modeling & Anal Grp, Los Alamos, NM 87544 USA. RP Kubic, WL (reprint author), Los Alamos Natl Lab, Proc Modeling & Anal Grp, POB 1663, Los Alamos, NM 87544 USA. EM wkubic@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. NR 31 TC 1 Z9 1 U1 2 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD AUG PY 2012 VL 293 IS 2 BP 601 EP 612 DI 10.1007/s10967-012-1703-4 PG 12 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 969QM UT WOS:000306070700021 ER PT J AU Mayes, RL Ross, MR AF Mayes, R. L. Ross, M. R. TI Advancements in hybrid dynamic models combining experimental and finite element substructures SO MECHANICAL SYSTEMS AND SIGNAL PROCESSING LA English DT Article DE Component Mode Synthesis; Substructuring; Experimental Dynamic Substructuring AB This paper presents very practical enhancements to the transmission simulator method (TSM); also known as the Modal Constraints for Fixtures and Subsystems (MCFS). The enhancements allow this method to be implemented directly in finite element software, instead of having to extract the reduced finite element model from its software and implement the substructure coupling in another code. The transmission simulator method is useful for coupling substructures where one substructure is derived experimentally and the other is generated from a finite element model. This approach uses a flexible fixture in the experimental substructure to improve the modal basis of the substructure; thus, providing a higher quality substructure. The flexible fixture substructure needs to be removed (decoupled) from the experimental substructure to obtain the true system characteristics. A modified method for this removal and coupling of the experimental and analytical substructures is provided. An additional improvement guarantees that the experimental substructure matrices are positive definite, a requirement for many finite element codes. Guidelines for designing robust transmission simulator hardware are provided. The concepts are applied to two sample cases. The first case consists of a cylinder connected by eight bolts to a plate with a beam. The second example is an outer shell structure that is connected through a bolted flange to a complex internal payload structure. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Mayes, R. L.; Ross, M. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Mayes, RL (reprint author), Sandia Natl Labs, POB 5800,MS 0557, Albuquerque, NM 87185 USA. EM rlmayes@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 16 TC 1 Z9 1 U1 1 U2 8 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0888-3270 J9 MECH SYST SIGNAL PR JI Mech. Syst. Signal Proc. PD AUG PY 2012 VL 31 BP 56 EP 66 DI 10.1016/j.ymssp.2012.02.010 PG 11 WC Engineering, Mechanical SC Engineering GA 966MS UT WOS:000305842600005 ER PT J AU Court, B Elliot, TR Dammel, J Buscheck, TA Rohmer, J Celia, MA AF Court, Benjamin Elliot, Thomas R. Dammel, Joseph Buscheck, Thomas A. Rohmer, Jeremy Celia, Michael A. TI Promising synergies to address water, sequestration, legal, and public acceptance issues associated with large-scale implementation of CO2 sequestration SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Article DE CO2 capture and sequestration; Implementation barriers; Synergies; Legal and regulatory; Public acceptance; Water management; Brine production; Pressure management; Pore space competition; Area of review; Risk mitigation ID CARBON CAPTURE; GEOLOGICAL STORAGE; UNITED-STATES; REGULATORY CHALLENGES; SALINE FORMATIONS; UTSIRA FORMATION; CLIMATE-CHANGE; LEAKAGE; INJECTION; PRESSURE AB Stabilization of CO2 atmospheric concentrations requires practical strategies to address the challenges posed by the continued use of coal for baseload-electricity production. Over the next two decades, CO2 capture and sequestration (CCS) demonstration projects would need to increase several orders of magnitude across the globe in both size and scale. This task has several potential barriers which will have to be accounted for. These barriers include those that have been known for a number of years including safety of subsurface sequestration, pore-space competition with emerging activities like shale gas production, legal and regulatory frameworks, and public acceptance and technical communication. In addition water management is a new challenge that should be actively and carefully considered across all CCS operations. A review of the new insights gained on these previously and newly identified challenges, since the IPCC special report on CCS, is presented in this paper. While somewhat daunting in scope, some of these challenges can be addressed more easily by recognizing the potential advantageous synergies that can be exploited when these challenges are dealt with in combination. For example, active management of water resources, including brine in deep subsurface formations, can provide the additional cooling-water required by the CO2 capture retrofitting process while simultaneously reducing sequestration leakage risk and furthering efforts toward public acceptance. This comprehensive assessment indicates that water, sequestration, legal, and public acceptance challenges ought to be researched individually, but must also be examined collectively to exploit the promising synergies identified herein. Exploitation of these synergies provides the best possibilities for successful large-scale implementation of CCS. C1 [Court, Benjamin; Elliot, Thomas R.; Celia, Michael A.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Dammel, Joseph] Univ Minnesota, Humphrey Inst Publ Affairs, Minneapolis, MN USA. [Buscheck, Thomas A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Rohmer, Jeremy] Bur Rech Geol & Minieres, F-45060 Orleans 2, France. RP Court, B (reprint author), Princeton Univ, Dept Civil & Environm Engn, E223 Equad, Princeton, NJ 08544 USA. EM bcourt@princeton.edu FU Carbon Mitigation Initiative at Princeton University; Environmental Protection Agency [RD-83438501]; NSERC Canada; DOE [DE-FE0000749**]; U.S. Department of Energy Office of Fossil Energy through the National Energy Technology Laboratory; BRGM's directorate of Research project [CSCR03]; United States Department of Energy, Office of Fossil Energy [DE-FE0000749] FX This work was supported in part by the Carbon Mitigation Initiative at Princeton University and by the Environmental Protection Agency under Cooperative Agreement RD-83438501. Funding from: NSERC Canada; DOE Project # DE-FE0000749**; the U.S. Department of Energy Office of Fossil Energy through the National Energy Technology Laboratory; and the BRGM's directorate of Research project CSCR03 supported the second through fifth authors, respectively.; This has been funded by the United States Department of Energy, Office of Fossil Energy, under Grant DE-FE0000749. Disclaimer: Neither the U.S. government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation or favoring by the U.S. governing or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the U.S. government or any agency thereof. NR 200 TC 7 Z9 7 U1 1 U2 30 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD AUG PY 2012 VL 17 IS 6 SI SI BP 569 EP 599 DI 10.1007/s11027-011-9314-x PG 31 WC Environmental Sciences SC Environmental Sciences & Ecology GA 968MI UT WOS:000305985200002 ER PT J AU T-Thienprasert, J Limpijumnong, S Du, MH Singh, DJ AF T-Thienprasert, J. Limpijumnong, S. Du, M. -H. Singh, D. J. TI First principles study of O defects in CdSe SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 26th International Conference on Defects in Semiconductors (ICDS) CY JUL 18-22, 2011 CL Nelson, NEW ZEALAND SP Univ Canterbury, Ind Res Ltd, MacDiarmid Inst DE Infrared spectroscopy; First-principles calculations; Defect; Local vibration modes; CdSe; Dynamic matrix ID ULTRASOFT PSEUDOPOTENTIALS; WURTZITE CDSE; 1ST-PRINCIPLES; GAAS; ZNO AB Recently, the vibrational signatures related to oxygen defects in oxygen-doped CdSe were measured using ultrahigh resolution Fourier transform infrared (FTIR) spectroscopy by Chen et al.(2008) [1]. They observed two absorption bands centered at similar to 1991.77 and 2001.3 cm(-1), which they attributed to the LVMs of O-Cd, in the samples grown with the addition of CdO and excess Se. For the samples claimed to be grown with even more excess Se, three high-frequency modes (1094.11, 1107.45, and 1126.33) were observed and assigned to the LVMs of O-Se-V-Cd complex. In this work, we explicitly calculated the vibrational signatures of O-Cd and O-Se-V-Cd complex defects based on first principles approach. The calculated vibrational frequencies of Ocd and O-Se-V-Cd complex are inconsistent with the frequencies observed by Chen et al., indicating that their observed frequencies are from other defects. Potential defects that could explain the experimentally observed modes are suggested. (C) 2011 Elsevier B.V. All rights reserved. C1 [Limpijumnong, S.] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand. [Limpijumnong, S.] Synchrotron Light Res Inst, Nakhon Ratchasima 30000, Thailand. [T-Thienprasert, J.] Kasetsart Univ, Dept Phys, Bangkok 10900, Thailand. [T-Thienprasert, J.] Commiss Higher Educ, Thailand Ctr Excellence Phys, ThEP Ctr, Bangkok 10400, Thailand. [Limpijumnong, S.; Du, M. -H.; Singh, D. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Limpijumnong, S (reprint author), Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand. EM sukit@sut.ac.th RI Du, Mao-Hua/B-2108-2010; Singh, David/I-2416-2012; T-Thienprasert, Jiraroj/A-2093-2011 OI Du, Mao-Hua/0000-0001-8796-167X; NR 31 TC 4 Z9 4 U1 1 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD AUG 1 PY 2012 VL 407 IS 15 BP 2841 EP 2845 DI 10.1016/j.physb.2011.08.042 PG 5 WC Physics, Condensed Matter SC Physics GA 965TS UT WOS:000305790800005 ER PT J AU Niltharach, A Kityakarn, S Worayingyong, A T-Thienprasert, J Klysubun, W Songsiriritthigul, P Limpijumnong, S AF Niltharach, A. Kityakarn, S. Worayingyong, A. T-Thienprasert, J. Klysubun, W. Songsiriritthigul, P. Limpijumnong, S. TI Structural characterizations of sol-gel synthesized TiO2 and Ce/TiO2 nanostructures SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 26th International Conference on Defects in Semiconductors (ICDS) CY JUL 18-22, 2011 CL Nelson, NEW ZEALAND SP Univ Canterbury, Ind Res Ltd, MacDiarmid Inst DE Sol-gel process; X-ray diffraction; X-ray absorption; Nanostructure; TiO2; Phase determination ID FISCHER-TROPSCH CATALYSTS; PHOTOCATALYTIC ACTIVITY; TITANIUM-DIOXIDE; ANATASE; FILMS; PARTICLES AB Mixed phase TiO2 and Ce/TiO2 samples were synthesized by a sol-gel method using different hydrolysis conditions. In pure TiO2 samples, traditional X-ray diffraction (XRD) and Ti K-edge synchrotron X-ray absorption near edge structures (XANES) independently revealed their anatase/rutile phase ratios. XANES results further revealed a substantial amount of Ti atoms existed in other forms beside anatase and rutile TiO2 in the sample synthesized by the low hydrolysis condition. An increase in the extent of the hydrolysis during the synthesis leads to an increased rutile ratio and a reduction in other forms. In Ce/TiO2 samples, the crystal sizes were too small for XRD characterization. Only XANES could be used to characterize their phase ratios. It is found that adding Ce impedes rutile formation; leading to increased anatase ratio. The difference in the fundamental aspects of XRD and XANES techniques in providing the phase ratios is discussed. (C) 2011 Elsevier B.V. All rights reserved. C1 [Songsiriritthigul, P.; Limpijumnong, S.] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand. [Niltharach, A.] Kasetsart Univ, Fac Resources & Environm, Chon Buri 20230, Thailand. [Niltharach, A.; Kityakarn, S.; Worayingyong, A.] Kasetsart Univ, Fac Phys, Dept Chem, Bangkok 10903, Thailand. [T-Thienprasert, J.] Kasetsart Univ, Fac Phys, Dept Phys, Bangkok 10903, Thailand. [T-Thienprasert, J.] Commiss Higher Educ, Thailand Ctr Excellence Phys ThEP Ctr, Bangkok 10400, Thailand. [Klysubun, W.; Songsiriritthigul, P.; Limpijumnong, S.] Synchrotron Light Res Inst, Nakhon Ratchasima 30000, Thailand. [Limpijumnong, S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Limpijumnong, S (reprint author), Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand. EM sukit@sut.ac.th RI T-Thienprasert, Jiraroj/A-2093-2011 NR 26 TC 8 Z9 9 U1 1 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD AUG 1 PY 2012 VL 407 IS 15 BP 2915 EP 2918 DI 10.1016/j.physb.2011.08.108 PG 4 WC Physics, Condensed Matter SC Physics GA 965TS UT WOS:000305790800024 ER PT J AU Fraboni, B Cosseddu, P Wang, YQ Schulze, RK Cavallini, A Nastasi, M Bonfiglio, A AF Fraboni, B. Cosseddu, P. Wang, Y. Q. Schulze, R. K. Cavallini, A. Nastasi, M. Bonfiglio, A. TI Stabilization of organic thin film transistors by ion implantation SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 26th International Conference on Defects in Semiconductors (ICDS) CY JUL 18-22, 2011 CL Nelson, NEW ZEALAND SP Univ Canterbury, Ind Res Ltd, MacDiarmid Inst DE Organic semiconductors; Ion implantation; Thin film transistor ID LIGHT-EMITTING DEVICES; PENTACENE AB We report on the effects of low energy ion implantation (N and Ne) in the reduction and control of the degradation of pentacene organic thin film transistors (OTFTs) due to the exposure to atmosphere (i.e. oxygen and water). We have observed that a controlled damage depth distribution preserves the functionality of the devices, even if ion implantation induces significant molecular structure modifications, in particular a combination of dehydrogenation and carbonification effects. No relevant changes in the pentacene thin film thickness have been observed. The two major transport parameters that characterize OTFT performance are the carrier mobility and the threshold voltage. We have monitored the effectiveness of this process in stabilizing the device by monitoring the carrier mobility and the threshold voltage over a long time (over 2000 h). Finally, we have assessed by depth resolved X-ray Photoemission Spectroscopy analyses that, by selectively implanting with ions that can react with the hydrocarbon matrix (e.g. N-1), it is possible to locally modify the charge distribution within the organic layer. (C) 2011 Elsevier B.V. All rights reserved. C1 [Fraboni, B.; Cavallini, A.] Univ Bologna, CNISM, I-40127 Bologna, Italy. [Fraboni, B.; Cavallini, A.] Univ Bologna, Dipartimento Fis, I-40127 Bologna, Italy. [Cosseddu, P.; Bonfiglio, A.] Univ Cagliari, Dipartimento Ingn Elettr & Elettron, I-09123 Cagliari, Italy. [Cosseddu, P.; Bonfiglio, A.] CNR, INFM, I-41100 Modena, Italy. [Wang, Y. Q.; Schulze, R. K.; Nastasi, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fraboni, B (reprint author), Univ Bologna, CNISM, Viale Berti Pichat 6-2, I-40127 Bologna, Italy. EM beatrice.fraboni@unibo.it RI Fraboni, Beatrice/I-8356-2012; Bonfiglio, Annalisa/J-7232-2012; OI COSSEDDU, Piero/0000-0003-4896-504X; Schulze, Roland/0000-0002-6601-817X NR 22 TC 1 Z9 1 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD AUG 1 PY 2012 VL 407 IS 15 BP 3047 EP 3051 DI 10.1016/j.physb.2011.11.017 PG 5 WC Physics, Condensed Matter SC Physics GA 965TS UT WOS:000305790800059 ER PT J AU Hughes, AE Mayo, S Yang, YS Markley, T Smith, SV Sellaiyan, S Uedono, A Hardin, SG Muster, TH AF Hughes, A. E. Mayo, S. Yang, Y. S. Markley, T. Smith, S. V. Sellaiyan, S. Uedono, A. Hardin, S. G. Muster, T. H. TI Using X-ray tomography, PALS and Raman spectroscopy for characterization of inhibitors in epoxy coatings SO PROGRESS IN ORGANIC COATINGS LA English DT Review DE Chromate inhibited primer; X-ray tomography; Positron annihilation spectroscopy (PALS) ID ANNIHILATION LIFETIME; CONVERSION COATINGS; ORGANIC COATINGS; AL-ALLOYS; CHROMATE; MICROSCOPY; PRIMERS; POSITRONIUM; CORROSION; RELEASE AB Model paint materials were generated by adding a range of inorganic materials into an epoxy. The inorganic materials included inhibitors (Zn-3(PO4)(2) and StCrO(4)) and a filler (rutile TiO2).The SrCrO4 system was characterized using SEM, TEM, PALS and Raman spectroscopy and found to have an even distribution of inhibitor in the polymer matrix. X-ray tomography was performed on the mixed SrCrO4/TiO2 and Zn-3(PO4)(2)/TiO2 systems. A new technique called data constrained modelling was combined with the tomographic technique to produce a 3D distribution of the inorganic phases within the polymer matrix. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved. C1 [Hughes, A. E.; Mayo, S.; Yang, Y. S.; Markley, T.; Hardin, S. G.; Muster, T. H.] Commonwealth Sci & Ind Res Org, Div Mat Sci & Engn, Clayton, Vic 3169, Australia. [Smith, S. V.; Sellaiyan, S.] Australian Natl Univ, Res Sch Phys & Engn, Ctr Excellence Antimatter Matter Studies, Canberra, ACT 0200, Australia. [Smith, S. V.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sellaiyan, S.] Australian Nucl Sci & Technol Org, Ctr Excellence Antimatter Matter Studies, Kirrawee 2232, Australia. [Uedono, A.] Univ Tsukuba, Inst Appl Phys, Tsukuba, Ibaraki 3058573, Japan. RP Hughes, AE (reprint author), Commonwealth Sci & Ind Res Org, Div Mat Sci & Engn, Clayton, Vic 3169, Australia. EM tony.hughes@csiro.au RI Muster, Tim/D-2987-2013; Mayo, Sheridan/A-4952-2010; Yang, YS/A-9246-2011 OI Muster, Tim/0000-0002-9847-5201; Mayo, Sheridan/0000-0002-7333-5472; Yang, YS/0000-0002-8565-6214 NR 23 TC 9 Z9 9 U1 1 U2 25 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0300-9440 J9 PROG ORG COAT JI Prog. Org. Coat. PD AUG PY 2012 VL 74 IS 4 SI SI BP 726 EP 733 DI 10.1016/j.porgcoat.2011.06.023 PG 8 WC Chemistry, Applied; Materials Science, Coatings & Films SC Chemistry; Materials Science GA 969BI UT WOS:000306030300015 ER PT J AU Windisch, CF Schaef, HT Martin, PF Owen, AT McGrail, BP AF Windisch, Charles F., Jr. Schaef, Herbert T. Martin, Paul F. Owen, Antoinette T. McGrail, B. Peter TI Following O-18 uptake in scCO(2)-H2O mixtures with Raman spectroscopy SO SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY LA English DT Article DE Raman spectroscopy; Vibrational spectroscopy; Supercritical CO2; CO2-H2O mixtures; Isotope exchange; O-18 labeling ID CARBON-DIOXIDE; MINERAL CARBONATION; ISOTOPIC EXCHANGE; WATER; CO2 AB The uptake of O-18 by scC(16)O(2) in mixtures containing liquid (H2O)-O-18 was followed with Raman spectroscopy using a specially designed high-pressure optical cell. Characteristic bands from the (COO)-O-16-O-18 and (CO2)-O-18 molecules were identified in the supercritical phase and measured in the spectra as a function of time after introducing the liquid (H2O)-O-18 into the scC(16)O(2). Temporal dependence indicated the process was diffusion-limited in our cell for both (COO)-O-16-O-18 and (CO2)-O-18. The ratio of concentrations of the O-18-labeled CO2 molecules, (CO2)-O-18/(COO)-O-16-O-18, was much higher than a random distribution of the isotopes for the system expected at equilibrium. The results are consistent with previous studies showing both rapid kinetics for oxygen exchange in aqueous solutions and the role of CO2 transport at liquid water interfaces. More importantly, they demonstrate the potential for using Raman spectroscopy with O-18 isotopic labeling in scCO(2) reaction studies with the recently determined frequency and intensity characteristics of the Fermi dyad peaks from O-18-containing CO2 molecules. (C) 2012 Published by Elsevier B.V. C1 [Windisch, Charles F., Jr.; Schaef, Herbert T.; Martin, Paul F.; Owen, Antoinette T.; McGrail, B. Peter] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Windisch, CF (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM cf.windisch@pnl.gov FU U.S. Department of Energy (DOE); Office of Fossil Energy; Office of Science; DOE [DE-AC05-76RL01830] FX This work was supported by the U.S. Department of Energy (DOE), Office of Fossil Energy and Office of Science. The Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the DOE under Contract DE-AC05-76RL01830. NR 22 TC 2 Z9 2 U1 1 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1386-1425 J9 SPECTROCHIM ACTA A JI Spectroc. Acta Pt. A-Molec. Biomolec. Spectr. PD AUG PY 2012 VL 94 BP 186 EP 191 DI 10.1016/j.saa.2012.03.065 PG 6 WC Spectroscopy SC Spectroscopy GA 966QY UT WOS:000305853700025 PM 22516123 ER PT J AU Deaton, JD Ahmad, SA Shukla, U Irwin, RE DaSilva, LA MacKenzie, AB AF Deaton, Juan D. Ahmad, Syed A. Shukla, Umesh Irwin, Ryan E. DaSilva, Luiz A. MacKenzie, Allen B. TI Evaluation of Dynamic Channel and Power Assignment for Cognitive Networks (vol 62, pg 277, 2012) SO WIRELESS PERSONAL COMMUNICATIONS LA English DT Correction C1 [Deaton, Juan D.; Ahmad, Syed A.; Shukla, Umesh; Irwin, Ryan E.; DaSilva, Luiz A.; MacKenzie, Allen B.] Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. [Deaton, Juan D.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [DaSilva, Luiz A.] Trinity Coll Dublin, CTVR, Dublin, Ireland. RP Deaton, JD (reprint author), Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. EM deatjd@vt.edu; saahmad@vt.edu; ushukla@vt.edu; reirwin@vt.edu; ldasilva@vt.edu; mackenab@vt.edu NR 1 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0929-6212 J9 WIRELESS PERS COMMUN JI Wirel. Pers. Commun. PD AUG PY 2012 VL 65 IS 3 BP 731 EP 731 DI 10.1007/s11277-012-0630-6 PG 1 WC Telecommunications SC Telecommunications GA 968GC UT WOS:000305964300014 ER PT J AU Ilas, G Gauld, IC Radulescu, G AF Ilas, Germina Gauld, Ian C. Radulescu, Georgeta TI Validation of new depletion capabilities and ENDF/B-VII data libraries in SCALE SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE SCALE; ORIGEN; Depletion; ENDF/B-VII; Isotopic validation; Spent fuel AB New isotopic depletion capabilities and ENDF/B-VII data libraries have been implemented in the recent release 6.1 of SCALE, a comprehensive modeling and simulation suite for nuclear safety analysis and design developed and maintained by Oak Ridge National Laboratory. An assessment of the effect of the new developments on the code performance is the subject of this paper. The analysis is focused on evaluating the code performance in predicting isotopic compositions in spent nuclear fuel by using an extensive, measured isotopic assay database. The analysis results obtained using the latest ENDF/B-VII cross-section data and different resonance processing methods in SCALE are compared to the results of previous validation studies that used ENDF/B-V data. The performance of SCALE depletion capabilities with respect to other computational systems is assessed based on recent published results that were obtained using ENDF/B-VII libraries. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Ilas, Germina; Gauld, Ian C.; Radulescu, Georgeta] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Ilas, G (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM ilasg@ornl.gov OI Radulescu, Georgeta/0000-0001-7664-1718; Gauld, Ian/0000-0002-3893-7515; Ilas, Germina/0000-0003-4222-6393 FU US Nuclear Regulatory Commission Office of Nuclear Regulatory Research; US Department of Energy Office of Nuclear Energy; US Department of Energy [DE-AC05-00OR22725] FX The authors acknowledge the funding from the US Nuclear Regulatory Commission Office of Nuclear Regulatory Research and the US Department of Energy Office of Nuclear Energy for the work described in this paper. Oak Ridge National Laboratory is managed by UT-Battelle. LLC, under Contract DE-AC05-00OR22725 with the US Department of Energy. NR 30 TC 13 Z9 13 U1 0 U2 4 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 AUG PY 2012 VL 46 BP 43 EP 55 DI 10.1016/j.anucene.2012.03.012 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 964DO UT WOS:000305674100006 ER PT J AU Lee, J Chang, YI Chang, SH AF Lee, Jewhan Chang, Yoon Il Chang, Soon Heung TI Cost benefit analysis of advanced nuclear fuel cycle using Linear Programming optimization SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE Advanced fuel cycle; Recycling fuel cycle; SFR; Pyro-processing; Cost analysis AB Advanced fuel cycle includes SFR and pyro-processing, which are actively researched in various fields of nuclear energy. Focus of previous work (Lee et al., Nuclear Engineering and Technology, 2011, 43, 383390) was mainly on the comparison of uranium utilization with implicitly expressed reprocessing terms. However, in some cases, the result can be distorted by too much favor on SFR system and thus reliable cost analysis cannot be performed. In this study, the key factors - Recycling cost (SFR capital cost and Pyro-processing cost), Uranium price, and Direct disposal cost - were analyzed by explicitly expressing spent nuclear fuel (SNF) and its related terms, and the qualitative inter-dependency between each costs were discussed. Furthermore, comparison between the direct disposal and recycling was conducted in two aspects, which are spent nuclear fuel accumulation and uranium utilization. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Lee, Jewhan; Chang, Yoon Il; Chang, Soon Heung] Korea Adv Inst Sci & Technol, Dept Nucl & Quantum Engn, Taejon 305701, South Korea. [Chang, Yoon Il] Argonne Natl Lab, Argonne, IL 60439 USA. RP Lee, J (reprint author), Korea Adv Inst Sci & Technol, Dept Nucl & Quantum Engn, Taejon 305701, South Korea. EM krazer@kaist.ac.kr RI Chang, Soon Heung/C-1858-2011 FU National Research Foundation of Korea (NRF) [R33-10047]; Ministry of Education, Science and Technology FX This work was carried out under the World Class University (WCU) Program supported by the National Research Foundation of Korea (NRF) Grant (R33-10047) funded by the Ministry of Education, Science and Technology. NR 8 TC 0 Z9 0 U1 2 U2 4 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 AUG PY 2012 VL 46 BP 116 EP 120 DI 10.1016/j.anucene.2012.04.001 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 964DO UT WOS:000305674100014 ER PT J AU Wang, JH Conejo, AJ Wang, CS Yan, JY AF Wang, Jianhui Conejo, Antonio J. Wang, Chengshan Yan, Jinyue TI Smart grids, renewable energy integration, and climate change mitigation - Future electric energy systems SO APPLIED ENERGY LA English DT Editorial Material C1 [Wang, Jianhui] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Conejo, Antonio J.] Univ Castilla La Mancha, Dept Elect Engn, E-13071 Ciudad Real, Spain. [Wang, Chengshan] Tianjin Univ, Sch Elect Engn & Automat, Tianjin 300072, Peoples R China. [Yan, Jinyue] Royal Inst Technol KTH, Dept Chem Engn & Technol Energy Proc, SE-10044 Stockholm, Sweden. [Yan, Jinyue] Malardalen Univ, Sch Sustainable Dev Soc & Technol, SE-72123 Vasteras, Sweden. RP Wang, JH (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave,Bldg 221, Argonne, IL 60439 USA. EM jianhui.wang@anl.gov; Antonio.Conejo@uclm.es; cswang@tju.edu.cn; jinyue@kth.se OI Yan, Jinyue/0000-0003-0300-0762 NR 30 TC 27 Z9 28 U1 2 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 J9 APPL ENERG JI Appl. Energy PD AUG PY 2012 VL 96 BP 1 EP 3 DI 10.1016/j.apenergy.2012.03.014 PG 3 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 963BQ UT WOS:000305595500001 ER PT J AU Valenzuela, J Thimmapuram, PR Kim, J AF Valenzuela, Jorge Thimmapuram, Prakash R. Kim, Jinho TI Modeling and simulation of consumer response to dynamic pricing with enabled technologies SO APPLIED ENERGY LA English DT Article DE Demand response; Dynamic pricing; Load management; Smart grid; Smart metering technology AB Assessing the impacts of dynamic-pricing under the smart grid concept is becoming extremely important for deciding its full deployment. In this paper, we develop a model that represents the response of consumers to dynamic pricing. In the model, consumers use forecasted day-ahead prices to shift daily energy consumption from hours when the price is expected to be high to hours when the price is expected to be low while maintaining the total energy consumption as unchanged. We integrate the consumer response model into the Electricity Market Complex Adaptive System (EMCAS). EMCAS is an agent-based model that simulates restructured electricity markets. We explore the impacts of dynamic-pricing on price spikes, peak demand, consumer energy bills, power supplier profits, and congestion costs. A simulation of an 11-node test network that includes eight generation companies and five aggregated consumers is performed for a period of 1 month. In addition, we simulate the Korean power system. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Kim, Jinho] Gachon Univ, Coll Informat Technol, Dept Energy & Informat Technol, Songnam 461701, Kyunggi, South Korea. [Valenzuela, Jorge] Auburn Univ, Dept Ind & Syst Engn, Auburn, AL 36849 USA. [Thimmapuram, Prakash R.] Argonne Natl Lab, DIS Div, Argonne, IL 60439 USA. RP Kim, J (reprint author), Gachon Univ, Coll Informat Technol, Dept Energy & Informat Technol, 1342 Songnam St, Songnam 461701, Kyunggi, South Korea. EM jinhkim91@gmail.com FU Argonne, a US Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; KPX, Gachon University; ADICA under MKE, Korea [I-2008-1-013] FX The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a US Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The US Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government.; This work has been financially supported by the international collaboration program with KPX, Gachon University, and ADICA under MKE, Korea (I-2008-1-013). NR 16 TC 32 Z9 34 U1 2 U2 33 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 J9 APPL ENERG JI Appl. Energy PD AUG PY 2012 VL 96 BP 122 EP 132 DI 10.1016/j.apenergy.2011.11.022 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 963BQ UT WOS:000305595500013 ER PT J AU Yang, YC Wang, JH Guan, XH Zhai, QZ AF Yang, Yuanchao Wang, Jianhui Guan, Xiaohong Zhai, Qiaozhu TI Subhourly unit commitment with feasible energy delivery constraints SO APPLIED ENERGY LA English DT Article DE Subhourly unit commitment; Feasible energy delivery; Mixed-integer linear programming; Wind integration ID LAGRANGIAN-RELAXATION; GENETIC ALGORITHM; THERMAL UNIT; SECURITY; TRANSMISSION; OPTIMIZATION; DISPATCH; MARKET AB Unit commitment (UC) is one of the most important daily tasks that independent system operators or regional transmission organizations must accomplish in the electric power market. In the conventional UC problem, especially under a deregulated power system, the power schedule is usually taken as an energy schedule. However, this simplification may preclude the realization of the feasible energy delivery in real cases owing to the violation of ramping limits, as shown in the literature. If the power system integrates large-scale wind energy, the above "infeasible" energy delivery problem will be worsened, since wind power output will increase the variability of the "net-load" balanced by the thermal units. In this paper, a new UC model is provided that includes the consideration of "feasible" energy delivery under large-scale wind integration. The proposed model can give not only the optimal and feasible energy schedule to thermal units but also a precise ramping process for implementing this schedule. The problem is formulated as a mixed-integer linear programming problem; a 5-unit and a 36-unit system with 25% wind integration are used to test the proposed model. Finally, the numerical results support the conclusions above effectively. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA. [Yang, Yuanchao; Guan, Xiaohong; Zhai, Qiaozhu] Xi An Jiao Tong Univ, MOE KLINNS Lab, Syst Engn Inst, Xian 710049, Peoples R China. [Guan, Xiaohong] Tsinghua Univ, Ctr Intelligent & Networked Syst, Beijing 100084, Peoples R China. RP Wang, JH (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jianhui.wang@anl.gov NR 27 TC 9 Z9 10 U1 1 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 J9 APPL ENERG JI Appl. Energy PD AUG PY 2012 VL 96 BP 245 EP 252 DI 10.1016/j.apenergy.2011.11.008 PG 8 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 963BQ UT WOS:000305595500024 ER PT J AU Omitaomu, OA Blevins, BR Jochem, WC Mays, GT Belles, R Hadley, SW Harrison, TJ Bhaduri, BL Neish, BS Rose, AN AF Omitaomu, Olufemi A. Blevins, Brandon R. Jochem, Warren C. Mays, Gary T. Belles, Randy Hadley, Stanton W. Harrison, Thomas J. Bhaduri, Budhendra L. Neish, Bradley S. Rose, Amy N. TI Adapting a GIS-based multicriteria decision analysis approach for evaluating new power generating sites SO APPLIED ENERGY LA English DT Article DE Clean and low-carbon energy; Energy policy; Multicriteria assessment; Spatial analysis; Energy generation; Geographic information system AB There is a growing need to site new power generating plants that use cleaner energy sources due to increased regulations on air and water pollution and a sociopolitical desire to develop more clean energy sources. To assist utility and energy companies as well as policy-makers in evaluating potential areas for siting new plants in the contiguous United States, an adaptation of a geographic information system (GIS)-based multicriteria decision analysis approach is presented in this paper. The presented approach has led to the development of the Oak Ridge Siting Analysis for power Generation Expansion (OR-SAGE) tool. The tool takes inputs such as population growth, water availability, environmental indicators, and tectonic and geological hazards to provide an in-depth analysis for siting options. To the utility and energy companies, the tool can quickly and effectively provide feedback on land suitability based on technology specific inputs. However, the tool does not replace the required detailed evaluation of candidate sites. To the policy-makers, the tool provides the ability to analyze the impacts of future energy technology while balancing competing resource use. Published by Elsevier Ltd. C1 [Omitaomu, Olufemi A.; Blevins, Brandon R.; Jochem, Warren C.; Bhaduri, Budhendra L.; Neish, Bradley S.; Rose, Amy N.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Blevins, Brandon R.] So Calif Edison Co, Corp Environm Policy, Rosemead, CA USA. [Jochem, Warren C.] Univ Colorado, Dept Geog, Boulder, CO 80309 USA. [Mays, Gary T.; Belles, Randy; Harrison, Thomas J.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. [Hadley, Stanton W.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. RP Omitaomu, OA (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM omitaomuoa@ornl.gov RI Hadley, Stanton/O-1465-2015; OI Hadley, Stanton/0000-0002-6514-8802; Harrison, Thomas/0000-0001-6506-8856 FU Electric Power Research Institute (EPRI); US Department of Energy, Office of Nuclear Energy; US Department of Energy [DE-AC05-00OR22725] FX This project is sponsored in parts by the Electric Power Research Institute (EPRI) and the US Department of Energy, Office of Nuclear Energy. This manuscript is authored by employees of UT-Battelle, LLC, under Contract DE-AC05-00OR22725 with the US Department of Energy. Accordingly, the United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 24 TC 23 Z9 23 U1 4 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 J9 APPL ENERG JI Appl. Energy PD AUG PY 2012 VL 96 BP 292 EP 301 DI 10.1016/j.apenergy.2011.11.087 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 963BQ UT WOS:000305595500029 ER PT J AU Najafi, M Auslander, DM Bartlett, PL Haves, P Sohn, MD AF Najafi, Massieh Auslander, David M. Bartlett, Peter L. Haves, Philip Sohn, Michael D. TI Application of machine learning in the fault diagnostics of air handling units SO APPLIED ENERGY LA English DT Article DE Bayesian network; HVAC systems; Air-handling unit; Energy management; Fault detection and diagnosis; Machine learning ID CONDITIONING SYSTEMS; HVAC SYSTEMS; MODEL; BUILDINGS; VENTILATION; ARX AB An air handling unit's energy usage can vary from the original design as components fail or fault - dampers leak or fail to open/close, valves get stuck, and so on. Such problems do not necessarily result in occupant complaints and, consequently, are not even recognized to have occurred. In spite of recent progress in the research and development of diagnostic solutions for air handling units, there is still a lack of reliable, scalable, and affordable diagnostic solutions for such systems. Modeling limitations, measurement constraints, and the complexity of concurrent faults are the main challenges in air handling unit diagnostics. The focus of this paper is on developing diagnostic algorithms for air handling units that can address such constraints more effectively by systematically employing machine-learning techniques. The proposed algorithms are based on analyzing the observed behavior of the system and comparing it with a set of behavioral patterns generated based on various faulty conditions. We show how such a pattern-matching problem can be formulated as an estimation of the posterior distribution of a Bayesian probabilistic model. We demonstrate the effectiveness of the approach by detecting faults in commercial building air handling units. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Najafi, Massieh; Auslander, David M.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Bartlett, Peter L.] Univ Calif Berkeley, Div Comp Sci, Berkeley, CA 94720 USA. [Bartlett, Peter L.] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. [Haves, Philip] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Commercial Bldg Syst Grp, Berkeley, CA 94720 USA. [Sohn, Michael D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Airflow & Pollutant Transport Grp, Berkeley, CA 94720 USA. RP Najafi, M (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM massieh@ieee.org; dma@me.berkeley.edu; bartlett@cs.berkeley.edu; phaves@lbl.gov; mdsohn@lbl.gov RI Sun, JT/G-1703-2015; OI Bartlett, Peter/0000-0002-8760-3140 NR 44 TC 18 Z9 19 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 J9 APPL ENERG JI Appl. Energy PD AUG PY 2012 VL 96 BP 347 EP 358 DI 10.1016/j.apenergy.2012.02.049 PG 12 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 963BQ UT WOS:000305595500034 ER PT J AU Campbell, KM Kukkadapu, RK Qafoku, NP Peacock, AD Lesher, E Williams, KH Bargar, JR Wilkins, MJ Figueroa, L Ranville, J Davis, JA Long, PE AF Campbell, K. M. Kukkadapu, R. K. Qafoku, N. P. Peacock, A. D. Lesher, E. Williams, K. H. Bargar, J. R. Wilkins, M. J. Figueroa, L. Ranville, J. Davis, J. A. Long, P. E. TI Geochemical, mineralogical and microbiological characteristics of sediment from a naturally reduced zone in a uranium-contaminated aquifer SO APPLIED GEOCHEMISTRY LA English DT Article ID IN-SITU BIOSTIMULATION; OXIDATIVE DISSOLUTION; BIOGENIC URANINITE; REDUCTION; GROUNDWATER; U(VI); IRON; BIOREDUCTION; SORPTION; SPECIATION AB Localized zones or lenses of naturally reduced sediments have the potential to play a significant role in the fate and transport of redox-sensitive metals and metalloids in aquifers. To assess the mineralogy, microbiology and redox processes that occur in these zones, several cores from a region of naturally occurring reducing conditions in a U-contaminated aquifer (Rifle, CO) were examined. Sediment samples from a transect of cores ranging from oxic/suboxic Rifle aquifer sediment to naturally reduced sediment were analyzed for U and Fe content, oxidation state, and mineralogy; reduced S phases; and solid-phase organic C content using a suite of analytical and spectroscopic techniques on bulk sediment and size fractions. Solid-phase U concentrations were higher in the naturally reduced zone, with a high proportion of the U present as U(IV). The sediments were also elevated in reduced S phases and Fe(II), indicating it is very likely that U(VI), Fe(III), and SO4 reduction has occurred or is occurring in the sediment. The microbial community was assessed using lipid-and DNA-based techniques, and statistical redundancy analysis was performed to determine correlations between the microbial community and the geochemistry. Increased concentrations of solid-phase organic C and biomass in the naturally reduced sediment suggests that natural bioreduction is stimulated by a zone of increased organic C concentration associated with fine-grained material and lower permeability to groundwater flow. Characterization of the naturally bioreduced sediment provides an understanding of the natural processes that occur in the sediment under reducing conditions and how they may impact natural attenuation of radionuclides and other redox sensitive materials. Results also suggest the importance of recalcitrant organic C for maintaining reducing conditions and U immobilization. Published by Elsevier Ltd. C1 [Campbell, K. M.] USGS, Boulder, CO 80303 USA. [Campbell, K. M.; Davis, J. A.] US Geol Survey, Menlo Pk, CA 94025 USA. [Kukkadapu, R. K.; Qafoku, N. P.; Wilkins, M. J.; Long, P. E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Peacock, A. D.] Haley & Aldrich, Oak Ridge, TN USA. [Lesher, E.; Figueroa, L.; Ranville, J.] Colorado Sch Mines, Golden, CO 80401 USA. [Williams, K. H.; Davis, J. A.; Long, P. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bargar, J. R.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA. RP Campbell, KM (reprint author), USGS, 3215 Marine St,Suite E127, Boulder, CO 80303 USA. EM kcampbell@usgs.gov RI Wilkins, Michael/A-9358-2013; Long, Philip/F-5728-2013; Williams, Kenneth/O-5181-2014; Davis, James/G-2788-2015; OI Long, Philip/0000-0003-4152-5682; Williams, Kenneth/0000-0002-3568-1155; ranville, james/0000-0002-4347-4885; Qafoku, Nikolla P./0000-0002-3258-5379 FU DOE-OBER; U.S. Department of Energy's Office of Biological and Environmental Research; U.S. Department of Energy, Office of Science, Subsurface Biogeochemistry Research Program; Lawrence Berkeley National Laboratory's Sustainable Systems Scientific Focus Area; USGS National Research Program; U.S. Department of Energy by the University of California [DE-AC02-05CH11231, DE-FC02ER63446] FX The authors thank C. Fuller (USGS) for analysis of samples by gamma spectrometry, H.T. Schaef and I.V. Kutnyakov (PNNL) for conducting the XRD analyses in the sediment samples, D. Kent for manuscript review, and C.T. Resch and E. Salvatierra (USGS) for chemical analysis. Portions of this research were carried out at the Stanford Synchrotron Radiation Laboratory, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences and funded by DOE-OBER grant to SLAC-SFA. A portion of this research was performed using The Environmental Molecular Sciences Laboratory (EMSL) at Pacific Northwest National Laboratory. EMSL is a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research. This project was part of the Integrated Field Research Challenge Site at Rifle, CO, funded by the U.S. Department of Energy, Office of Science, Subsurface Biogeochemistry Research Program. Additional funding was provided by the Lawrence Berkeley National Laboratory's Sustainable Systems Scientific Focus Area and the USGS National Research Program. The Lawrence Berkeley National Laboratory is operated for the U.S. Department of Energy by the University of California under Contract DE-AC02-05CH11231 and Cooperative Agreement DE-FC02ER63446. Any use of trade, product, or firm names is for descriptive purposes only and does not imply endorsement by the U.S. Government. NR 73 TC 52 Z9 52 U1 9 U2 89 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD AUG PY 2012 VL 27 IS 8 BP 1499 EP 1511 DI 10.1016/j.apgeochem.2012.04.013 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 966AR UT WOS:000305809500006 ER PT J AU Latta, DE Boyanov, MI Kemner, KM O'Loughlin, EJ Scherer, MM AF Latta, Drew E. Boyanov, Maxim I. Kemner, Kenneth M. O'Loughlin, Edward J. Scherer, Michelle M. TI Abiotic reduction of uranium by Fe(II) in soil SO APPLIED GEOCHEMISTRY LA English DT Article ID MICROBIAL U(VI) REDUCTION; SOLID-WATER INTERFACE; HYDROUS FERRIC-OXIDE; MOSSBAUER-SPECTROSCOPY; GREEN RUSTS; STRUCTURAL FE(III); SPECTROPHOTOMETRIC DETERMINATION; MAGNETITE STOICHIOMETRY; PENTAVALENT URANIUM; REDUCING CONDITIONS AB Structural Fe(II) has been shown to reduce several oxidized environmental contaminants, including NO3, chlorinated solvents, Cr(VI), and U(VI). Studies investigating reduction of U(VI) by soils and sediments, however, suggest that abiotic reduction of U(VI) by Fe(II) is not significant, and that direct enzymatic reduction of U(VI) by metal-reducing bacteria is required for U(VI) immobilization as U(IV). Here evidence is presented for abiotic reduction and immobilization of U(VI) by structural Fe(II) in a redoximorphic soil collected from a hillside spring in Iowa. Oxidation of Fe(II) in the soil after reaction with U(VI) was demonstrated by Mossbauer spectroscopy and reduction of U(VI) by the pasteurized soil using U L-III-edge X-ray absorption spectroscopy (XAS). XAS indicates that both reduced U(IV) and oxidized U(VI) or U(V) are present after U(VI) interaction with the Fe(II) containing soil. The EXAFS data show the presence of a non-uraninite U(IV) phase and evidence of the oxidized U(V) or U(VI) fraction being present as a non-uranyl species. Little U(VI) reduction is observed by soil that has been exposed to air and oxidation of Fe(II) to goethite has occurred. Soil characterization based on chemical extractions, Mossbauer spectroscopy, and Fe K-edge XAS indicate that the majority of Fe(II) in the soil is structural in nature, existing in clay minerals and possibly a green rust-like phase. These data provide compelling evidence for abiotic reduction of U(VI) by structural Fe(II) from soil near Fe-rich oxic-anoxic boundaries in natural environments. The work highlights the potential for abiotic reduction of U(VI) by Fe(II) in reduced, Fe-rich environments. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Latta, Drew E.; Scherer, Michelle M.] Univ Iowa, Dept Civil & Environm Engn, Seamans Ctr 4105, Iowa City, IA 52242 USA. [Latta, Drew E.; Boyanov, Maxim I.; Kemner, Kenneth M.; O'Loughlin, Edward J.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Scherer, MM (reprint author), Univ Iowa, Dept Civil & Environm Engn, Seamans Ctr 4105, Iowa City, IA 52242 USA. EM michelle-scherer@uiowa.edu RI O'Loughlin, Edward/C-9565-2013; ID, MRCAT/G-7586-2011; Latta, Drew/A-3030-2014 OI O'Loughlin, Edward/0000-0003-1607-9529; FU Office of the Biological and Environmental Research, Office of Science,US Department of Energy (DOE) [DE-AC02-06CH11357]; DOE; MRCAT member institutions FX This research is part of the Subsurface Science Scientific Focus Area (SFA) at Argonne National Laboratory (ANL) supported by the Subsurface Biogeochemical Research Program, Office of the Biological and Environmental Research, Office of Science, US Department of Energy (DOE), under Contract DE-AC02-06CH11357. MRCAT operations are supported by DOE and the MRCAT member institutions. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department NR 109 TC 27 Z9 28 U1 3 U2 94 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD AUG PY 2012 VL 27 IS 8 BP 1512 EP 1524 DI 10.1016/j.apgeochem.2012.03.003 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 966AR UT WOS:000305809500007 ER PT J AU Tucker, D VanOsdol, J Liese, E Lawson, L Zitney, S Gemmen, R Ford, JC Haynes, C AF Tucker, David VanOsdol, John Liese, Eric Lawson, Larry Zitney, Stephen Gemmen, Randall Ford, J. Christopher Haynes, Comas TI Evaluation of Methods for Thermal Management in a Coal-Based SOFC Turbine Hybrid Through Numerical Simulation SO JOURNAL OF FUEL CELL SCIENCE AND TECHNOLOGY LA English DT Article ID OXIDE FUEL-CELL; GAS-TURBINE; POWER-PLANT; SYSTEMS; PERFORMANCE; GENERATION; CYCLE AB Managing the temperatures and heat transfer in the fuel cell of a solid oxide fuel cell (SOFC) gas turbine (GT) hybrid fired on coal syngas presents certain challenges over a natural gas based system, in that the latter can take advantage of internal reforming to offset heat generated in the fuel cell. Three coal based SOFC/GT configuration designs for thermal management in the main power block are evaluated using steady state numerical simulations developed in ASPEN PLUS. A comparison is made on the basis of efficiency, operability issues and component integration. To focus on the effects of different power block configurations, the analysis assumes a consistent syngas composition in each case, and does not explicitly include gasification or syngas cleanup. A fuel cell module rated at 240 MW was used as a common basis for three different methods. Advantages and difficulties for each configuration are identified in the simulations. [DOI: 10.1115/1.4006044] C1 [Tucker, David; VanOsdol, John; Liese, Eric; Lawson, Larry; Zitney, Stephen; Gemmen, Randall] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Ford, J. Christopher; Haynes, Comas] Georgia Inst Technol, Ctr Fuel Cell & Battery Technol, Dept Mech Engn, Atlanta, GA 30332 USA. RP VanOsdol, J (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM jvanos@netl.doe.gov NR 19 TC 6 Z9 6 U1 0 U2 9 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1550-624X J9 J FUEL CELL SCI TECH JI J. Fuel Cell Sci. Technol. PD AUG PY 2012 VL 9 IS 4 AR 041004 DI 10.1115/1.4006044 PG 9 GA 965VB UT WOS:000305794300004 ER PT J AU Blinova, NV Stejskal, J Frechet, JMJ Svec, F AF Blinova, Natalia V. Stejskal, Jaroslav Frechet, Jean M. J. Svec, Frantisek TI Effect of reaction conditions on film morphology of polyaniline composite membranes for gas separation SO JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY LA English DT Article DE conducting polymer; thin film; membrane; morphology; polyaniline ID IUPAC TECHNICAL REPORT; THIN-FILMS; POLYMER; CONDUCTIVITY; DEPOSITION; COATINGS; SORPTION; SURFACE; PLASMA; ACIDS AB Composite membranes combining polyaniline as an active layer with a polypropylene support have been prepared using an in situ deposition technique. The protonated polyaniline layer with a thickness in the range of 90200 nm was prepared using precipitation, dispersion, or emulsion polymerization of aniline with simultaneous deposition on top of the porous polypropylene support, which was immersed in the reaction mixture. Variables such as temperature, concentration of reagents, presence of steric stabilizers, surfactants, and heteropolyacid were found to control both the formation and the quality of the polyaniline layers. Both morphology and thickness of the layers were characterized using scanning electron microscopy. Selective separation of carbon dioxide from its mixture with methane is used to illustrate potential application of these composite membranes. (c) 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 C1 [Blinova, Natalia V.; Svec, Frantisek] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Stejskal, Jaroslav] Acad Sci Czech Republic, Inst Macromol Chem, CR-16206 Prague 6, Czech Republic. [Frechet, Jean M. J.] KAUST, Thuwal, Saudi Arabia. RP Svec, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM fsvec@lbl.gov RI EFRC, CGS/I-6680-2012; Stejskal, Jaroslav/B-1802-2009; Stangl, Kristin/D-1502-2015; OI Stejskal, Jaroslav/0000-0001-9350-9647; Frechet, Jean /0000-0001-6419-0163 FU Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center; U.S. Department of Energy; Office of Science; Office of Basic Energy Sciences [DE-SC0001015]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX N.V. Blinova, F. Svec, and the preparation of films were supported as part of the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Award Number DE-SC0001015. Characterization work performed at the Molecular Foundry, Lawrence Berkeley National Laboratory was supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. Thanks are also due to Fedor Kraev, AIST-NT, Inc. (Novato CA, USA) for the AFM measurements. NR 33 TC 14 Z9 14 U1 0 U2 34 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-624X J9 J POLYM SCI POL CHEM JI J. Polym. Sci. Pol. Chem. PD AUG 1 PY 2012 VL 50 IS 15 BP 3077 EP 3085 DI 10.1002/pola.26093 PG 9 WC Polymer Science SC Polymer Science GA 962UW UT WOS:000305572900011 ER PT J AU Greene, RB Gallops, S Funfschilling, S Fett, T Hoffmann, MJ Ager, JW Kruzic, JJ AF Greene, R. B. Gallops, S. Fuenfschilling, S. Fett, T. Hoffmann, M. J. Ager, J. W., III Kruzic, J. J. TI A direct comparison of non-destructive techniques for determining bridging stress distributions SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Bridging stress distribution; Fracture mechanisms; Ceramic material; R-curves; T-stress ID R-CURVE BEHAVIOR; RAMAN MICROPROBE SPECTROSCOPY; FATIGUE-CRACK GROWTH; IN-SITU MEASUREMENTS; FLUORESCENCE SPECTROSCOPY; FRACTURE-TOUGHNESS; MONOLITHIC ALUMINA; SILICON-NITRIDE; MATRIX COMPOSITES; RESISTANCE-CURVE AB Crack bridging is an important source of crack propagation resistance in many materials and the bridging stress distribution as a function of crack opening displacement is widely believed to represent a true material property uninfluenced by sample geometry, loading conditions, and other extrinsic factors. Accordingly, accurate measurement of the bridging stress distribution is needed and many non-destructive methods have been developed. However, there are many challenges to accurately determining bridging stresses. A comparison of bridging stresses measured using R-curve, crack opening displacement (COD), and spectroscopy methods has been made using two bridging ceramics, Y2O3 and MgO doped Si3N4 and 99.5% pure Al2O3. The COD method is surface sensitive and gives a lower peak bridging stress compared to the R-curve technique which samples through the entire material thickness. This is attributed to a more compliant near surface bridging zone. Conversely, when R-curves rise steeply over the first few micrometers of growth from a notch, an effect of negative T-stress is expected to raise the R-curve determined peak bridging stress. Spectroscopy methods were only found to yield reliable bridging stress results if a reasonable through thickness volume of material is sampled. It was found that 2.5% of the specimen thickness achieved using fluorescence spectroscopy appears adequate for Al2O3 while 0.1-0.2% of the sample thickness achieved using Raman spectroscopy for Si3N4 appears inadequate. Overall, it is concluded that in the absence of T-stresses a bridging distribution can be determined that is a true material property. Also, a new method is proposed for determining the bridging stresses of fatigue cracks from (1) the bridging stress distribution for monotonically loaded cracks and (2) experimental fatigue data. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Greene, R. B.; Gallops, S.; Kruzic, J. J.] Oregon State Univ, Sch Mech Ind & Mfg Engn, Corvallis, OR 97331 USA. [Fuenfschilling, S.; Fett, T.; Hoffmann, M. J.] Karlsruhe Inst Technol, Inst Ceram Mech Engn, D-76131 Karlsruhe, Germany. [Ager, J. W., III] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Kruzic, JJ (reprint author), Oregon State Univ, Sch Mech Ind & Mfg Engn, Corvallis, OR 97331 USA. EM jamie.kruzic@oregonstate.edu RI Kruzic, Jamie/M-3558-2014; OI Kruzic, Jamie/0000-0002-9695-1921; Ager, Joel/0000-0001-9334-9751 FU National Science Foundation CAREER Award [0547394]; Deutsche Forschungsgemeinschaft DFG [SFB 483] FX J.J. Kruzic, R.B. Greene, and S. Gallops would like to acknowledge support from the National Science Foundation CAREER Award No. 0547394. S. Funfschilling and M.J. Hoffmann would like to thank the Deutsche Forschungsgemeinschaft DFG for financing parts of this work within the SFB 483. Finally, the authors would also like the thank Dr. Raphaelle Satet for help with the COD experiments, Ram Ravichandran with assistance in measuring the optical absorption coefficients, and Dr. Ho-Kyung Kim of Seoul National University of Technology for providing the in-situ loading stage used for the spectroscopy experiments. NR 67 TC 6 Z9 6 U1 1 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD AUG PY 2012 VL 60 IS 8 BP 1462 EP 1477 DI 10.1016/j.jmps.2012.04.007 PG 16 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA 964XF UT WOS:000305729300006 ER PT J AU Wang, T Napolitano, RE AF Wang, Tao Napolitano, Ralph E. TI A Phase-Field Model for Phase Transformations in Glass-Forming Alloys SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT 8th Symposium on Bulk Metallic Glasses (BMGs) CY FEB 27-MAR 03, 2011 CL San Diego, CA SP Minerals Metals & Mat Soc, TMS, Structural Mat Div, TMS, ASM, Mech Behav Mat Comm ID BULK METALLIC GLASSES; CU-ZR ALLOYS; GRAIN-GROWTH; COMPUTER-SIMULATION; AMORPHOUS-ALLOYS; SOLIDIFICATION; ABILITY; LIQUID; TRANSITION; DYNAMICS AB A phase-field model is proposed for phase transformations in glass-forming alloys. The glass transition is introduced as a structural relaxation, and the competition between the glass and crystalline phases is investigated. The simulations are performed for Cu-Zr alloys, employing thermodynamic and kinetic parameters derived from reported thermodynamic modeling and molecular dynamics simulation results,[1-3] respectively. Four distinct phase fields are treated with a multi-phase-field approach, representing the liquid/glass, Cu10Zr7, CuZr, and CuZr2 phases. In addition, a continuum-field method is applied to the liquid to accommodate the liquid-glass transformation. The combined phase-field approach is used to investigate the glass formation tendency, and critical cooling rates are estimated and compared with the reported experimental values. C1 [Wang, Tao; Napolitano, Ralph E.] US DOE, Div Mat Sci & Engn, Ames Lab, Ames, IA 50011 USA. [Napolitano, Ralph E.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Wang, T (reprint author), US DOE, Div Mat Sci & Engn, Ames Lab, Ames, IA 50011 USA. EM taowang@iastate.edu NR 56 TC 2 Z9 2 U1 1 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2012 VL 43A IS 8 BP 2662 EP 2668 DI 10.1007/s11661-012-1136-2 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 964YO UT WOS:000305732900018 ER PT J AU Tong, P Louca, D Wang, G Liaw, PK Maxey, E Yokoyama, Y AF Tong, Peng Louca, Despina Wang, G. Liaw, P. K. Maxey, E. Yokoyama, Y. TI The Effects of Fatigue on the Atomic Structure with Cyclic Loading in Zr50Cu40Al10 and Zr60Cu30Al10 Glasses SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT 8th Symposium on Bulk Metallic Glasses (BMGs) CY FEB 27-MAR 03, 2011 CL San Diego, CA SP Minerals Metals & Mat Soc, TMS, Structural Mat Div, TMS, ASM, Mech Behav Mat Comm ID BULK-METALLIC-GLASS; AMORPHOUS-ALLOYS; BEHAVIOR; LOCALIZATION; STATE; FLOW AB The potential damage effect from fatigue on Zr bulk metallic glass alloys of Zr50Cu40Al10 at the eutectic point and Zr60Cu30Al10 away from the eutectic point (in atomic percent) is examined via the local atomic structure, which was obtained from the pair density function analysis of the synchrotron X-ray radiation and neutron data. Samples cut from the same rods were subjected to 10(4), 10(5), and 10(6) compression cycles ex situ, and the evidence for fatigue damage was investigated by comparing alloys before and after cyclic loading. Bond orientation was observed particularly in Zr50Cu40Al10, suggesting that fatigue damage occurs even in the elastic range, below the yield point, and during cyclic loading. The initiation of fatigue changes is observed first within small localized atomic regions. C1 [Tong, Peng; Louca, Despina] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Wang, G.; Liaw, P. K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Maxey, E.] Argonne Natl Lab, Argonne, IL 60439 USA. [Yokoyama, Y.] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. RP Louca, D (reprint author), Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. EM dl4f@virginia.edu RI Yokoyama, Yoshihiko/A-8603-2011 NR 26 TC 2 Z9 2 U1 2 U2 30 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2012 VL 43A IS 8 BP 2676 EP 2679 DI 10.1007/s11661-011-0887-5 PG 4 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 964YO UT WOS:000305732900020 ER PT J AU An, ZN Li, WD Liu, FX Liaw, PK Gao, YF AF An, Z. N. Li, W. D. Liu, F. X. Liaw, P. K. Gao, Y. F. TI Interface Constraints on Shear Band Patterns in Bonded Metallic Glass Films Under Microindentation SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT 8th Symposium on Bulk Metallic Glasses (BMGs) CY FEB 27-MAR 03, 2011 CL San Diego, CA SP Minerals Metals & Mat Soc, TMS, Structural Mat Div, TMS, ASM, Mech Behav Mat Comm ID BULK AMORPHOUS-ALLOYS; MECHANICAL-PROPERTIES; INHOMOGENEOUS DEFORMATION; PRESSURE SENSITIVITY; VICKERS INDENTATION; PLASTIC-DEFORMATION; HARDNESS; INSTABILITY; EVOLUTION; TESTS AB When using the bonded interface technique for indentation tests, the semicircular and radial shear bands can be observed on the top surfaces and bonded interfaces in bulk metallic glasses (BMGs). In addition to the stress relaxation effects at the bonded interface, indentation tests on bonded BMG films on the steel platen further demonstrate the effects of the film/substrate interface on shear band patterns. The understanding of these shear band patterns will help design internal constraints to confine shear bands and thus to prevent brittle failure of BMGs. In contrast to previous studies, which connect shear band directions to principal shear stress or effective stress, as in the Mohr-Coulomb model, this article adopts the Rudnick-Rice instability theory-shear bands are a result of loss of material stability but are not a yield phenomenon. Shear band directions depend on material constitutive parameters (including Poisson's ratio, coefficient of internal friction, and dilatancy factor) and principal stresses. Consequently, internal constraints such as the bonded interface and film/substrate interface may redistribute the stress fields and thus affect the shear band propagation directions. Finite element simulations were performed to determine the contact stress fields using continuum plasticity model. It is found that semicircular shear bands on the bonded interface follow the direction of the second principal stress, while radial shear band patterns depend on the two in-plane principal stresses. With the presence of film/substrate interfaces, the radial shear bands will be "reflected" at the interface, and the semicircular shear bands change directions and end at the interface. It should be noted that the actual stress field differs from the continuum plasticity simulations because of the strain localizations associated with shear bands. To this end, an explicit history of shear band nucleation and propagation is simulated by the free volume model, which reproduces the change from radial to semicircular shear bands when interface relaxation is introduced. These predictions agree well with our experimental observations of microindentation tests on two Zr-based BMG films laterally bonded and placed on a steel platen. C1 [An, Z. N.; Li, W. D.; Liu, F. X.; Liaw, P. K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Gao, Y. F.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Gao, Y. F.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP An, ZN (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ygao7@utk.edu RI Gao, Yanfei/F-9034-2010 OI Gao, Yanfei/0000-0003-2082-857X NR 35 TC 6 Z9 6 U1 0 U2 28 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2012 VL 43A IS 8 BP 2729 EP 2741 DI 10.1007/s11661-011-0992-5 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 964YO UT WOS:000305732900026 ER PT J AU Thompson, JA Chapman, KW Koros, WJ Jones, CW Nair, S AF Thompson, Joshua A. Chapman, Karena W. Koros, William J. Jones, Christopher W. Nair, Sankar TI Sonication-induced Ostwald ripening of ZIF-8 nanoparticles and formation of ZIF-8/polymer composite membranes SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE Zeolitic imidazolate framework; Mixed-matrix membranes; Ostwald ripening; Sonication; Membrane formation ID MIXED-MATRIX MEMBRANES; ZEOLITIC IMIDAZOLATE FRAMEWORKS; ROOM-TEMPERATURE SYNTHESIS; METAL-ORGANIC FRAMEWORKS; POLYMERIC MEMBRANES; PARTICLE SURFACES; SEPARATION; FILMS; SONOCHEMISTRY; MIXTURES AB The effect of typical membrane processing conditions on the structure, interfacial morphology, and gas separation performance of MOF/polymer nanocomposite membranes is investigated. In particular, the ZIF-8/Matrimid (R) nanocomposite membrane system is examined, and it is shown that ultrasonication a commonly employed particle dispersion method - induces significant changes in the shape, size distribution, and structure of ZIF-8 particles suspended in an organic solvent during membrane processing. Dynamic light scattering and electron microscopy reveal that ZIF-8 nanoparticles undergo substantial Ostwald ripening when subjected to high intensity ultrasonication as often required in the formation of MOF/polymer nanocomposite membranes. Other characterization techniques reveal that the ripened particles exhibit lower pore volumes and lower surface areas compared to the as-made material. ZIF-8/Matrimid (R) composite membranes fabricated using two sonication methods show significant differences in microstructure. Permeation measurements show significant enhancement in permeability of CO2 and increased CO2/CH4 selectivity in membranes fabricated with high-intensity sonication. In contrast, composite membranes prepared with low-intensity sonication are found to be defective. A careful evaluation of MOF membrane processing conditions, as well as knowledge of the properties of the MOF material after these membrane processing steps, are necessary to develop reliable processing-structure-property relations for MOF-containing membranes. (C) 2012 Elsevier Inc. All rights reserved. C1 [Thompson, Joshua A.; Koros, William J.; Jones, Christopher W.; Nair, Sankar] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Chapman, Karena W.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Jones, CW (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA. EM cjones@chbe.gatech.edu; sankar.nair@chbe.gate-ch.edu RI Chapman, Karena/G-5424-2012 FU King Abdullah University of Science and Technology [KUS-I1-011-21]; U.S. DOE [DE-AC02-06CH11357] FX This work was supported by King Abdullah University of Science and Technology under Award No. KUS-I1-011-21. Work done at Argonne National Laboratory and use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. DOE Office of Science by Argonne National Laboratory, were supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 53 TC 63 Z9 64 U1 12 U2 218 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD AUG 1 PY 2012 VL 158 BP 292 EP 299 DI 10.1016/j.micromeso.2012.03.052 PG 8 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 964RK UT WOS:000305714200040 ER PT J AU Jiang, CL Rehm, KE Fang, X Tang, XD Alcorta, M Back, BB Bucher, B Collon, P Deibel, CM DiGiovine, B Greene, JP Henderson, DJ Janssens, RVF Lauritsen, T Lister, CJ Marley, ST Pardo, RC Seweryniak, D Ugalde, C Zhu, S Paul, M AF Jiang, C. L. Rehm, K. E. Fang, X. Tang, X. D. Alcorta, M. Back, B. B. Bucher, B. Collon, P. Deibel, C. M. DiGiovine, B. Greene, J. P. Henderson, D. J. Janssens, R. V. F. Lauritsen, T. Lister, C. J. Marley, S. T. Pardo, R. C. Seweryniak, D. Ugalde, C. Zhu, S. Paul, M. TI Measurements of fusion cross-sections in C-12+C-12 at low beam energies using a particle-gamma coincidence technique SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Sub-barrier fusion; C-12+C-12 fusion; Particle-gamma coincidence; Gammasphere; DSSD ID SUBCOULOMB ENERGIES; C-12&C-12; C-12 AB A particle-gamma coincidence technique has been used to measure the fusion cross-section in the system C-12+ C-12 at low beam energies. Based on these results, it should be possible to measure this important fusion cross-section down to the 10 pb level within a week-long run. Published by Elsevier B.V. C1 [Jiang, C. L.; Rehm, K. E.; Alcorta, M.; Back, B. B.; Deibel, C. M.; DiGiovine, B.; Greene, J. P.; Henderson, D. J.; Janssens, R. V. F.; Lauritsen, T.; Lister, C. J.; Marley, S. T.; Pardo, R. C.; Seweryniak, D.; Ugalde, C.; Zhu, S.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Fang, X.; Tang, X. D.; Bucher, B.; Collon, P.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Deibel, C. M.] Michigan State Univ, Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. [Marley, S. T.] Western Michigan Univ, Kalamazoo, MI 49008 USA. [Paul, M.] Hebrew Univ Jerusalem, IL-90914 Jerusalem, Israel. RP Jiang, CL (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM jiang@phy.anl.gov RI Alcorta, Martin/G-7107-2011; Tang, Xiaodong /F-4891-2016 OI Alcorta, Martin/0000-0002-6217-5004; FU US Department of Energy, office of Nuclear Physics [DE-AC02-06CH11357]; NSF [PHY-0758100, PHY-0822648] FX This work was supported by the US Department of Energy, office of Nuclear Physics, under Contract No. DE-AC02-06CH11357 and by the NSF under Grant Nos. PHY-0758100 and PHY-0822648. NR 21 TC 5 Z9 5 U1 2 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2012 VL 682 BP 12 EP 15 DI 10.1016/j.nima.2012.03.051 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 963XW UT WOS:000305659300003 ER PT J AU Qiang, J Mitchell, C Ryne, RD AF Qiang, Ji Mitchell, Chad Ryne, Robert D. TI A fast high-order method to calculate wakefields in an electron beam SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Wakefield; FFT; Simpson rule AB In this paper, we report on a high-order fast method to numerically calculate wakefields in an electron beam given a wake function model. This method is based on a Newton-Cotes quadrature rule for integral approximation and an FFT method for discrete summation that results in an O(N log(N)) computational cost, where N is the number of grid points. Using the Simpson quadrature rule with an accuracy of O(h(4)), where h is the grid size, we present numerical calculation of the wakefields from a resonator wake function model and from a one-dimensional coherent synchrotron radiation (CSR) wake model. Besides the fast speed and high numerical accuracy, the calculation using the direct line density instead of the first derivative of the line density avoids numerical filtering of the electron density function for computing the CSR wakefield. (C) 2012 Elsevier B.V. All rights reserved. C1 [Qiang, Ji; Mitchell, Chad; Ryne, Robert D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Qiang, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jqiang@lbl.gov FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center. NR 15 TC 5 Z9 5 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2012 VL 682 BP 49 EP 53 DI 10.1016/j.nima.2012.04.064 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 963XW UT WOS:000305659300009 ER PT J AU Brady, MP Keiser, JR More, KL Fayek, M Walker, LR Peascoe-Meisner, RA Anovitz, LM Wesolowski, DJ Cole, DR AF Brady, M. P. Keiser, J. R. More, K. L. Fayek, M. Walker, L. R. Peascoe-Meisner, R. A. Anovitz, L. M. Wesolowski, D. J. Cole, D. R. TI Comparison of Short-Term Oxidation Behavior of Model and Commercial Chromia-Forming Ferritic Stainless Steels in Dry and Wet Air SO OXIDATION OF METALS LA English DT Article DE Stainless steel; Oxidation; Water vapor; Chromia; Hydrogen ID HIGH-TEMPERATURE OXIDATION; FE-CR ALLOYS; WATER-VAPOR; SELECTIVE OXIDATION; BREAKAWAY OXIDATION; EXPOSURE CONDITIONS; CORROSION BEHAVIOR; STEAM OXIDATION; PD ALLOYS; X X AB A high-purity Fe-20Cr and commercial type 430 ferritic stainless steel were exposed at 700 and 800 A degrees C in dry air and air with 10% water vapor (wet air) and characterized by SEM, XRD, STEM, SIMS, and EPMA. The Fe-20Cr alloy formed a fast growing Fe-rich oxide scale at 700 A degrees C in wet air after 24 h exposure, but formed a thin chromia scale at 700 A degrees C in dry air and at 800 A degrees C in both dry air and wet air. In contrast, thin spinel + chromia base scales with a discontinuous silica subscale were formed on 430 stainless steel under all conditions studied. Extensive void formation was observed at the alloy-oxide interface for the Fe-20Cr in both dry and wet conditions, but not for the 430 stainless steel. The Fe-20Cr alloy was found to exhibit a greater relative extent of subsurface Cr depletion than the 430 stainless steel, despite the former's higher Cr content. Depletion of Cr in the Fe-20Cr after 24 h exposure was also greater at 700 A degrees C than 800 A degrees C. The relative differences in oxidation behavior are discussed in terms of the coarse alloy grain size of the high-purity Fe-20Cr material, and the effects of Mn, Si, and C on the oxide scale formed on the 430 stainless steel. C1 [Brady, M. P.; Keiser, J. R.; More, K. L.; Walker, L. R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Fayek, M.] Univ Manitoba, Dept Geol Sci, Winnipeg, MB R3T 2N2, Canada. [Peascoe-Meisner, R. A.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Anovitz, L. M.; Wesolowski, D. J.; Cole, D. R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Brady, MP (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM bradymp@ornl.gov RI Brady, Michael/A-8122-2008; More, Karren/A-8097-2016; Anovitz, Lawrence/P-3144-2016 OI Brady, Michael/0000-0003-1338-4747; More, Karren/0000-0001-5223-9097; Anovitz, Lawrence/0000-0002-2609-8750 FU United States Department of Energy (US DOE); Laboratory Directed Research and Development Program; Natural Sciences and Engineering Research Council (NSERC); Canadian Foundation for Innovation (CFI); Canada Research Chair (CRC) FX The authors thank B. A. Pint, S. Dryepondt, and K A. Unocic for helpful comments on this manuscript. This work was funded by the United States Department of Energy (US DOE), Laboratory Directed Research and Development Program, and Natural Sciences and Engineering Research Council (NSERC) discovery grant, Canadian Foundation for Innovation (CFI) and the Canada Research Chair (CRC) programs. Additional collaboration with the SHaRE User facility at ORNL is also acknowledged. NR 33 TC 4 Z9 5 U1 1 U2 33 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0030-770X J9 OXID MET JI Oxid. Met. PD AUG PY 2012 VL 78 IS 1-2 BP 1 EP 16 DI 10.1007/s11085-012-9289-3 PG 16 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 965TW UT WOS:000305791200001 ER PT J AU Santos, F Torn, MS Bird, JA AF Santos, Fernanda Torn, Margaret S. Bird, Jeffrey A. TI Biological degradation of pyrogenic organic matter in temperate forest soils SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE C-13; N-15; Pyrogenic organic matter; Wood; Mean residence time; Pine; Decomposition; C mineralization; N mineralization; Soil mineral composition; Microbial community composition ID BLACK CARBON BIOCHAR; LITTER DECOMPOSITION; NITROGEN DEPOSITION; MICROBIAL COMMUNITIES; MINERAL CONTROL; DEPTH PROFILES; CONIFER FOREST; WOOD; TRANSFORMATION; CHARCOAL AB Pyrogenic organic matter (PyOM), derived from the incomplete combustion of plant biomass and fossil fuels, has been considered one of the most stable pools of soil organic matter (SOM) and a potentially important terrestrial sink for atmospheric CO2. Recent evidence suggests that PyOM may degrade faster in soil than previously thought, and can affect native SUM turnover rates. We conducted a six-month laboratory incubation study to better understand the processes controlling the degradation of PyOM in soils using dual-enriched (C-13/N-15) PyOM and its precursor wood (Pinus ponderosa). We examined the effects of soil type and inorganic N addition on PyOM and wood C and N mineralization rates, microbial C utilization patterns, and native SUM turnover rates. PyOM charred at 450 degrees C or its precursor pine wood was incubated in two temperate forest subsoils with contrasting short range order (SRO) clay mineralogy (granite versus andesite parent material). Duplicates of experimental treatments with and without PyOM added were sterilized and abiotic C mineralization was quantified. In a second incubation, PyOM or wood was incubated in granitic soil with and without added NH4NO3 (20 kg N ha(-1)). The fate of C-13/N-15-enriched PyOM. and wood was followed as soil-respired (CO2)-C-13 and total extractable inorganic N-15. The uptake of C-13 from PyOM and wood by soil microbial community groups was quantified using C-13-phospholipids fatty acids (PLFA). We found that (1) The mean residence time (MRT) of PyOM-C was on a centennial time scale (390-600 yr) in both soil types; (2) PyOM-C mineralization was mainly biologically mediated; (3) Fungi more actively utilized wood-C than PyOM-C, which was utilized by all bacteria groups, especially gram (+) bacteria in the andesite (AN) soil; (4) PyOM-N mineralization was 2 times greater in granite (GR) than in AN soils; (5) PyOM additions did not affect native soil C or N mineralization rates, microbial biomass, or PLFA-defined microbial community composition in either soil; (6) The addition of N to GR soil had no effect on the MRT of C from PyOM, wood, or native SOM. The centennial scale MRT for PyOM-C was 32 times slower than that for the precursor pine wood-C or native soil C, which is faster than the MRT used in ecosystem models. Our results show that PyOM-C is readily utilized by all heterotrophic microbial groups, and PyOM-C and -N may be more dynamic in soils than previously thought. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Santos, Fernanda; Bird, Jeffrey A.] CUNY Queens Coll, Sch Earth & Environm Sci, Flushing, NY 11367 USA. [Santos, Fernanda; Bird, Jeffrey A.] CUNY, Grad Ctr, New York, NY USA. [Torn, Margaret S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Bird, JA (reprint author), CUNY Queens Coll, Sch Earth & Environm Sci, D-216 Sci Bldg,65-30 Kissena Blvd, Flushing, NY 11367 USA. EM jbird@qc.cuny.edu RI Bird, Jeffrey/H-8751-2012; Torn, Margaret/D-2305-2015; OI Bird, Jeffrey/0000-0002-0939-0637; Santos, Fernanda/0000-0001-9155-5623 FU PSC-CUNY Research Award; Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank K. Hammes and M. W. I. Schmidt for charring the pine wood. We appreciate the contributions by C. Castanha, R. Porras, E. Bisbee, and A. Liu to this research. This research was funded through a PSC-CUNY Research Award and from funds provided by The Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 to Lawrence Berkeley National Laboratory. We appreciate the assistance of the research staff at UC Blodgett Forest Research Station and J. Matthews and C. Yarns at the UC Davis Stable Isotope Facility. NR 73 TC 60 Z9 62 U1 18 U2 177 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD AUG PY 2012 VL 51 BP 115 EP 124 DI 10.1016/j.soilbio.2012.04.005 PG 10 WC Soil Science SC Agriculture GA 965MM UT WOS:000305771900014 ER PT J AU Pinder, JC Taylor-Harris, PM Bennett, PM Carter, E Hayes, NVL King, MDA Holt, MR Maggs, AM Gascard, P Baines, AJ AF Pinder, Jennifer C. Taylor-Harris, Pamela M. Bennett, Pauline M. Carter, Edward Hayes, Nandini V. L. King, Mikayala D. A. Holt, Mark R. Maggs, Alison M. Gascard, Philippe Baines, Anthony J. TI Isoforms of protein 4.1 are differentially distributed in heart muscle cells: Relation of 4.1R and 4.1G to components of the Ca2+ homeostasis system SO EXPERIMENTAL CELL RESEARCH LA English DT Article DE Cardiac myocytes; Sarcoplasmic reticulum; Intercalated disc; Cytoskeleton; Protein 4.1; Spectrin; SERCA2 ID ALPHA-II-SPECTRIN; ACTIN-BINDING DOMAIN; C-TERMINAL DOMAIN; FUNCTIONAL-CHARACTERIZATION; CYTOSKELETAL PROTEIN-4.1; INTERMEDIATE FILAMENT; MEMBRANE STABILITY; SEPTATE JUNCTIONS; MAMMALIAN HEART; GENE FAMILY AB The 4.1 proteins are cytoskeletal adaptor proteins that are linked to the control of mechanical stability of certain membranes and to the cellular accumulation and cell surface display of diverse transmembrane proteins. One of the four mammalian 4.1 proteins, 4.1R (80 kDa/120 kDa isoforms), has recently been shown to be required for the normal operation of several ion transporters in the heart (Stagg MA et al. Circ Res, 2008; 103: 855-863). The other three (4.1G, 4.1N and 4.1B) are largely uncharacterised in the heart. Here, we use specific antibodies to characterise their expression, distribution and novel activities in the left ventricle. We detected 4.1R, 4.1G and 4.1N by immunofluorescence and immunoblotting, but not 4.1B. Only one splice variant of 4.1N and 4.1G was seen whereas there are several forms of 4.1R. 4.1N, like 4.1R, was present in intercalated discs, but unlike 4.1R, it was not localised at the lateral plasma membrane. Both 4.1R and 4.1N were in internal structures that, at the level of resolution of the light microscope, were close to the Z-disc (possibly T-tubules). 4.1G was also in intracellular structures, some of which were coincident with sarcoplasmic reticulum. 4.1G existed in an immunoprecipitable complex with spectrin and SERCA2. 80 kDa 4.1R was present in subcellular fractions enriched in intercalated discs, in a complex resistant to solubilization under non-denaturing conditions. At the intercalated disc 4.1R does not colocalise with the adherens junction protein, beta-catenin, but does overlap with the other plasma membrane signalling proteins, the Na/K-ATPase and the Na/Ca exchanger NCX1. We conclude that isoforms of 4.1 proteins are differentially compartmentalised in the heart, and that they form specific complexes with proteins central to cardiomyocyte Ca2+ metabolism. (C) 2012 Elsevier Inc. All rights reserved. C1 [Baines, Anthony J.] Univ Kent, Dept Biosci, Sch Biosci, Canterbury CT2 7NJ, Kent, England. [Pinder, Jennifer C.; Taylor-Harris, Pamela M.; Bennett, Pauline M.; Holt, Mark R.; Maggs, Alison M.] Kings Coll London, Randall Div Cell & Mol Biophys, London SE1 1UL, England. [Gascard, Philippe] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Dept Canc & Syst, Berkeley, CA 94720 USA. RP Baines, AJ (reprint author), Univ Kent, Dept Biosci, Sch Biosci, Canterbury CT2 7NJ, Kent, England. EM A.J.Baines@kent.ac.uk OI Baines, Anthony/0000-0003-3068-7811 FU British Heart Foundation [PG/02/156, PG/03/159/16422, FS/05/043]; MRC; BBSRC [BBD0178231]; NIDDK [DK56355] FX AJB, JCP and PMB gratefully acknowledge grants and a PhD studentship from the British Heart Foundation (PG/02/156, PG/03/159/16422, FS/05/043). An MRC programme grant to JCP and a BBSRC project grant (BBD0178231) to AJB are gratefully acknowledged. This work was supported in part by NIDDK grant DK56355 to PG. We thank Prof Sian Harding and Peter O'Gara at the National Heart and Lung Institute, Imperial College for mouse cardiomyocytes; Dr Will Fuller at the King's Centre for Cardiovascular Biology and Medicine for advice regarding sub-cellular fractionation of heart cell membranes. We are grateful to the following for antibodies: Prof Mathias Gautel (Randall Division, KCL) for anti-titin-I19; Dr Marie-Christine Lecomte (INSERM, Paris) for anti-alpha II spectrin; Drs. Loren Walensky and Solomon Snyder (the Johns Hopkins University School of Medicine, Baltimore, MD) for generating the 4.1RU2, 4.1N U1 and 4.1G U1 antibodies; Dr. Joel Anne Chasis (LBNL, Berkeley, CA) for providing us with the 4.1B U2 antibody; Dr Georgine Faulkner for anti-ZASP. We also thank Dr. Yuichi Takakuwa (Tokyo Women's Medical University, Tokyo, Japan) for synthesizing the 4.1B peptide used for 4.1B U2 antibody production, Dr. Trish Berger (UC Davis, CA) for producing the antibody in goat and Gloria Lee (LBNL, Berkeley, CA) for affinity purifying this antibody. Kate Kirwan gave us considerable help with the preparation of figures. NR 67 TC 5 Z9 5 U1 0 U2 2 PU ELSEVIER INC PI SAN DIEGO PA 525 B STREET, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0014-4827 J9 EXP CELL RES JI Exp. Cell Res. PD AUG 1 PY 2012 VL 318 IS 13 BP 1467 EP 1479 DI 10.1016/j.yexcr.2012.03.003 PG 13 WC Oncology; Cell Biology SC Oncology; Cell Biology GA 963AF UT WOS:000305591800002 PM 22429617 ER PT J AU Elliott, SR LaRoque, BH Gehman, VM Kidd, MF Chen, M AF Elliott, S. R. LaRoque, B. H. Gehman, V. M. Kidd, M. F. Chen, M. TI An Improved Limit on Pauli-Exclusion-Principle Forbidden Atomic Transitions SO FOUNDATIONS OF PHYSICS LA English DT Article DE Pauli exclusion principle ID ACCELERATOR MASS-SPECTROMETRY; QUANTUM-FIELD THEORY; SMALL VIOLATIONS; SYMMETRIZATION POSTULATE; RADIATIVE RECOMBINATION; BOSE STATISTICS; SEARCH; ELECTRONS; DETECTOR; NUCLEOSYNTHESIS AB We have examined the atomic theory behind recent constraints on the violation of the Pauli Exclusion Principle derived from experiments that look for X-rays emitted from conductors while a large current is present. We also re-examine the assumptions underlying such experiments. We use the results of these studies to assess pilot measurements to develop an improved test of the Principle. We present an improved limit of on the Pauli Exclusion Principle. This limit is the best to date for interactions between a system of fermions and a fermion that has not previously interacted with that given system. That is, for systems that do not obviously violate the Messiah-Greenberg symmetrization-postulate selection rule. C1 [Elliott, S. R.; LaRoque, B. H.; Gehman, V. M.; Kidd, M. F.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. [Chen, M.] Lawrence Livermore Natl Lab, Dept Phys & Life Sci, Livermore, CA 94550 USA. RP Elliott, SR (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. EM elliotts@lanl.gov FU U.S. Department of Energy, Office of Nuclear Physics [2011LANLE9BW]; U.S. Department of energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We gratefully acknowledge the support of the U.S. Department of Energy, Office of Nuclear Physics under Contract No. 2011LANLE9BW. MHC's work was performed under the auspices of the U.S. Department of energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. We thank Keith Rielage and Yuri Efremenko for a careful reading of the manuscript. We thank Larry Rodriguez and Harry Salazar for helpful technical discussions. We thank P. Vogel, R. Mohapatra, and O.W. Greenberg for useful discussions of the theory. NR 53 TC 10 Z9 10 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0015-9018 EI 1572-9516 J9 FOUND PHYS JI Found. Phys. PD AUG PY 2012 VL 42 IS 8 BP 1015 EP 1030 DI 10.1007/s10701-012-9643-y PG 16 WC Physics, Multidisciplinary SC Physics GA 962EK UT WOS:000305522700003 ER PT J AU Sumpter, BG Meunier, V AF Sumpter, Bobby G. Meunier, Vincent TI Can computational approaches aid in untangling the inherent complexity of practical organic photovoltaic systems? SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Review DE computer modeling; conjugated polymers; simulations; solar cells; theory ID DENSITY-FUNCTIONAL-THEORY; POLYMER SOLAR-CELLS; VAN-DER-WAALS; INTERFACIAL CHARGE-TRANSFER; BULK HETEROJUNCTION MATERIALS; WALLED CARBON NANOTUBE; MONTE-CARLO-SIMULATION; THIN-FILM TRANSISTORS; HOLE DIPOLE-MOMENT; PI-PI INTERACTIONS AB Organic materials, in particular conjugated polymers, have recently become the subject of extensive research for photovoltaic device applications. This increase of interest is primarily the result of their potentially low manufacturing cost, compatibility with flexible substrates, diverse chemical tunability, scalability, and ease of processing currently available for suitable bulk heterojunction (BHJ) construction. However, to date, these materials have not been able to exceed power conversion efficiencies (PCE) beyond 59%, values short of those considered commercially viable. The deficit in PCE appears to derive from a combination of physicochemical and device complexities associated with inadequate hole transport mobility, solubility and miscibility with an appropriate acceptor, narrow electronic band gap for efficient solar light harvesting, appropriate highest occupied molecular orbital (HOMO) and lowest unoccopied molecular orbital (LUMO) energies to maximize the open-circuit voltage (Voc) and electron transfer to the acceptor, and in particular the control of the multidimensional problem of BHJ morphology. In this review article, we provide an overview of some of the recent progress toward implementing theory, modeling, and simulation approaches in combination with results from precision synthesis, characterization, and device fabrication as a mean to overcome/understand the inherent issues that limit practical applications of organic photovoltaics. (C) 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012 C1 [Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. RP Sumpter, BG (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM sumpterbg@ornl.gov RI Sumpter, Bobby/C-9459-2013; Meunier, Vincent/F-9391-2010 OI Sumpter, Bobby/0000-0001-6341-0355; Meunier, Vincent/0000-0002-7013-179X FU Polymer-Based Materials for Harvesting Solar Energy (PHaSE) Center, an Energy Frontier Research Center; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001087]; Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX The authors acknowledge the support from the Polymer-Based Materials for Harvesting Solar Energy (PHaSE) Center, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001087. B. G. Sumpter also acknowledges the support from the Center for Nanophase Materials Sciences (CNMS), which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. Some of the calculations used resources of the Oak Ridge Leadership Facility and the National Center for Computational Sciences. The authors also thank K. Xiao and C. Rouleau for useful discussions and for assistance with the Table of Content graphics. NR 240 TC 21 Z9 21 U1 1 U2 99 PU WILEY PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-6266 EI 1099-0488 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD AUG 1 PY 2012 VL 50 IS 15 SI SI BP 1071 EP 1089 DI 10.1002/polb.23075 PG 19 WC Polymer Science SC Polymer Science GA 961OM UT WOS:000305475300006 ER PT J AU Aieta, NV Das, PK Perdue, A Bender, G Herring, AM Weber, AZ Ulsh, MJ AF Aieta, Niccolo V. Das, Prodip K. Perdue, Andrew Bender, Guido Herring, Andrew M. Weber, Adam Z. Ulsh, Michael J. TI Applying infrared thermography as a quality-control tool for the rapid detection of polymer-electrolyte-membrane-fuel-cell catalyst-layer-thickness variations SO JOURNAL OF POWER SOURCES LA English DT Article DE Catalyst layer; Defects; Quality control; Infrared thermography; PEMFC; Fuel cell; Manufacturing ID CORROSION; PEMFC AB As fuel cells become more prominent, new manufacturing and production methods are needed to enable increased volumes with high quality. One necessary component of this industrial growth will be the accurate measurement of the variability of a wide range of material properties during the manufacturing process. In this study, a method to detect defects in fuel cell catalyst layers is investigated through experiment and mathematical simulation. The method uses infrared thermography and direct-current electronic-excitation methods to detect variations in platinum-containing catalyst-layer thickness with high spatial and temporal resolution. Data analysis, operating-condition impacts, and detection limits are explored, showing the measurement of defects on the millimeter length scale. Overall, the experimental and modeling results demonstrate great potential of this technique as a nondestructive method to measure defects that is amenable to use on roll-to-roll manufacturing lines. (C) 2012 Elsevier B.V. All rights reserved. C1 [Aieta, Niccolo V.; Perdue, Andrew; Bender, Guido; Ulsh, Michael J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Das, Prodip K.; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA. RP Ulsh, MJ (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM michael.ulsh@nrel.gov RI das, prodip/G-5297-2012; OI Das, Prodip/0000-0001-9096-3721; Weber, Adam/0000-0002-7749-1624; Herring, Andrew/0000-0001-7318-5999 FU Office of Fuel Cell Technologies, of the U.S. Department of Energy [DE-AC36-08-GO28308, DE-AC02-05CH11231]; Natural Sciences and Engineering Research Council of Canada FX This work was funded by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Fuel Cell Technologies, of the U.S. Department of Energy under contract numbers DE-AC36-08-GO28308 (NREL) and DE-AC02-05CH11231 (LBNL). P.K.D. also gratefully acknowledges financial support through a Natural Sciences and Engineering Research Council of Canada postdoctoral fellowship. NR 21 TC 15 Z9 15 U1 1 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2012 VL 211 BP 4 EP 11 DI 10.1016/j.jpowsour.2012.02.030 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 960CF UT WOS:000305364900002 ER PT J AU Baggetto, L Unocic, RR Dudney, NJ Veith, GM AF Baggetto, Loic Unocic, Raymond R. Dudney, Nancy J. Veith, Gabriel M. TI Fabrication and characterization of Li-Mn-Ni-O sputtered thin film high voltage cathodes for Li-ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE High voltage spinel cathodes; Magnetron sputtering; Thin films; Layered-spinel composite structure; Coatings ID COATED LINI0.5MN1.5O4 SPINEL; ELECTROCHEMICAL PROPERTIES; LITHIUM BATTERIES; ELEVATED-TEMPERATURES; ELECTRODES; LINIXMN2-XO4; DEPOSITION; PERFORMANCE; OXIDES AB Li-rich and stoichiometric Li1Mn1.5Ni0.5O4 (LMNO) cathode films have been successfully prepared by magnetron sputtering. Sputtering from a Li stoichiometric target yields Li-rich films composed of spine!, layered and monoclinic phases. Films obtained from a Li deficient target are mostly made of a spinel phase and little layered material. The resulting cathode thin films have good capacity retention and very high rate capability. The reaction mechanism has been investigated by XRD and HRTEM and evidences the reversible formation of a spinel phase, as is generally found for the powder samples. The film geometry enables us to understand the effect of coatings (ZnO or LiPON). Coating high voltage cathodes reduces the coulombic losses, but at the price of rate performance. Nonetheless, these coated sputtered electrode thin films offer a higher rate capability than other LMNO thin films obtained by other physical vapor deposition techniques. (C) 2012 Elsevier B.V. All rights reserved. C1 [Baggetto, Loic; Unocic, Raymond R.; Dudney, Nancy J.; Veith, Gabriel M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Baggetto, L (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM baggettol@ornl.gov RI Dudney, Nancy/I-6361-2016; Baggetto, Loic/D-5542-2017; OI Dudney, Nancy/0000-0001-7729-6178; Baggetto, Loic/0000-0002-9029-2363; Unocic, Raymond/0000-0002-1777-8228 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory for the U.S. Department of Energy; ORNL SHaRE; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This research was supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. Microscopy research was also supported by ORNL SHaRE user facility, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 34 TC 30 Z9 32 U1 8 U2 190 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2012 VL 211 BP 108 EP 118 DI 10.1016/j.jpowsour.2012.03.076 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 960CF UT WOS:000305364900018 ER PT J AU Nielsen, BC Gerdes, K O'Connor, W Song, XY Abernathy, H AF Nielsen, Benjamin C. Gerdes, Kirk O'Connor, William Song, Xueyan Abernathy, Harry TI Partitioning of coal contaminants in the components of liquid tin anode solid oxide fuel cells SO JOURNAL OF POWER SOURCES LA English DT Article DE Solid oxide fuel cell; Liquid metal anode; Tin; Direct carbon; Coal contaminants ID DIRECT OXIDATION; PERFORMANCE; OIL AB Direct carbon fuel cells (DCFCs) electrochemically convert fossil fuels to electricity, resulting in higher efficiency and less pollution than traditional direct combustion technologies. This work focuses on direct use of coal in a liquid tin anode solid oxide fuel cell (LTA SOFC) where a layer of molten tin functions as the anode. In such a direct solid fueling scheme, a major technical concern is the ultimate disposition of trace materials naturally present in the coal. Trace contaminants introduced with the coal must be located in the functional portions of the LTA SOFC to ensure that any deleterious reactions are known and ultimately mitigated. This research effort determines the thermochemical contaminant partitioning between the tin anode, slag, or electrolyte material and examines the critical interfaces within the system. Contaminant partitioning was examined by TEM, SEM/EDS, and ICP-OES/MS. Sulfur is known to poison yttria-stabalized zirconia (YSZ) and appears to form a tin sulfide phase that is dispersed in the liquid tin during operation. Results show that tin oxide formed on and near the YSZ electrolyte, and could potentially degrade charge transfer. The slag was found to consist of the expected metal oxides, however, tin and tin oxide were intermixed with the slag component, indicating a probable need for a tin recovery process that will potentially increase the complexity of an LTA SOFC system. (C) 2012 Elsevier By. All rights reserved. C1 [Nielsen, Benjamin C.; O'Connor, William] Natl Energy Technol Lab, Albany, OR 97321 USA. [Gerdes, Kirk; Abernathy, Harry] Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Song, Xueyan] W Virginia Univ, Morgantown, WV 26506 USA. [Nielsen, Benjamin C.] URS Corp, NETL, San Francisco, CA USA. RP Nielsen, BC (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. EM Benjamin.Nielsen@contr.netl.doe.gov FU NETL under the RES [DE-FE0004000]; agency of the United States Government FX This technical effort was performed in support of the ongoing research at NETL under the RES contract DE-FE0004000. The authors wish to thank Paul Danielson for his work in preparing and polishing samples, Jinesh Jain for conducting the chemical analysis at NETL facilities in Pittsburgh, Phillip Gansor and Ed Sabolsky at West Virginia University for providing the YSZ disks and strips tested, and the LMA SOFC Regional University Alliance (RUA) team for their useful feedback.; This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 29 TC 4 Z9 4 U1 0 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2012 VL 211 BP 192 EP 201 DI 10.1016/j.jpowsour.2012.03.057 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 960CF UT WOS:000305364900030 ER PT J AU Neitzel, I Mochalin, V Bares, JA Carpick, RW Erdemir, A Gogotsi, Y AF Neitzel, I. Mochalin, V. Bares, J. A. Carpick, R. W. Erdemir, A. Gogotsi, Y. TI Tribological Properties of Nanodiamond-Epoxy Composites SO TRIBOLOGY LETTERS LA English DT Article DE Tribology; Nanodiamond; Epoxy; Nanocomposite; Friction; Wear ID DIAMOND-LIKE CARBON; ATOMIC-FORCE MICROSCOPY; POLYMER COMPOSITES; SURFACE-CHEMISTRY; WEAR-RESISTANCE; NANOCOMPOSITES; CALIBRATION; COATINGS; PTFE; ENHANCEMENT AB Owing to its superior mechanical properties, nanodiamond (ND) holds great potential to improve tribological characteristics of composites. In this study, we report on the wear and dry friction of epoxy-ND composites prepared from as-received and aminated ND across the length scale range from macro to nano. Comparison of macroscale, microscale, and nanoscale frictional behavior shows that ND is highly effective in improving the wear resistance and friction coefficients of polymer matrices across the different length scales. Although with both types of ND wear resistance and friction coefficients of epoxy-ND composites were significantly improved, aminated ND outperformed as-received ND, which we account to the formation of a strong interface between aminated ND and the epoxy matrix. This study also shows that agglomerates within epoxy-ND composites containing 25 vol.% ND were able to wear an alumina counterbody, indicating very high hardness and Young's modulus of these agglomerates, that can eventually replace micron sized diamonds currently used in industrial abrasive applications. C1 [Neitzel, I.; Mochalin, V.; Gogotsi, Y.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Bares, J. A.; Carpick, R. W.] Univ Penn, Dept Mech Engn & Appl Mech, Philadelphia, PA 19104 USA. [Erdemir, A.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Gogotsi, Y (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM gogotsi@drexel.edu RI Gogotsi, Yury/B-2167-2008 OI Gogotsi, Yury/0000-0001-9423-4032 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357]; NSF [CMMI-0927963] FX Centralized Research Facilities at Drexel University provided access to the NanoIndenter XP and optical light microscope used in this work. AFM measurements were performed at the Nano-Bio Interface Center at the University of Pennsylvania. Macroscopic tribological properties were measured at the Argonne National Laboratory supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, under Contract No. DE-AC02-06CH11357. The work at Drexel University was supported by NSF grant CMMI-0927963. NR 37 TC 17 Z9 17 U1 2 U2 56 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1023-8883 J9 TRIBOL LETT JI Tribol. Lett. PD AUG PY 2012 VL 47 IS 2 BP 195 EP 202 DI 10.1007/s11249-012-9978-8 PG 8 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA 962DW UT WOS:000305520800004 ER PT J AU Sathitsuksanoh, N Zhu, ZG Zhang, YHP AF Sathitsuksanoh, Noppadon Zhu, Zhiguang Zhang, Y-H. Percival TI Cellulose solvent-based pretreatment for corn stover and avicel: concentrated phosphoric acid versus ionic liquid [BMIM]Cl SO CELLULOSE LA English DT Article DE Biofuels; Biomass pretreatment; Cellulase inhibition; Cellulose accessibility to cellulase; Cellulose solvent and organic solvent-based lignocellulose fractionation (COSLIF); Enzymatic cellulose hydrolysis; Ionic liquid ID ENHANCED ENZYMATIC-HYDROLYSIS; DILUTE-ACID; SUPRAMOLECULAR STRUCTURE; BIOMASS RECALCITRANCE; SACCHARIFICATION; LIGNIN; LIGNOCELLULOSE; SWITCHGRASS; DISSOLUTION; IMIDAZOLIUM AB Since cellulose accessibility has become more recognized as the major substrate characteristic limiting hydrolysis rates and glucan digestibilities, cellulose solvent-based lignocellulose pretreatments have gained attention. In this study, we employed cellulose solvent- and organic solvent-based lignocellulose fractionation using two cellulose solvents: concentrated phosphoric acid [similar to 85 % (w/w) H3PO4] and an ionic liquid Butyl-3-methylimidazolium chloride ([BMIM]Cl). Enzymatic glucan digestibilities of concentrated phosphoric acid- and [BMIM]Cl-pretreated corn stover were 96 and 55 % after 72 h at five filter paper units of cellulase per gram of glucan, respectively. Regenerated amorphous cellulose by concentrated phosphoric acid and [BMIM]Cl had digestibilities of 100 and 92 %, respectively. Our results suggested that differences in enzymatic glucan digestibilities of concentrated phosphoric acid- and [BMIM]Cl-pretreated corn stover were attributed to combinatory factors. These results provide insights into mechanisms of cellulose solvent-based pretreatment and effects of residual cellulose solvents and lignin on enzymatic cellulose hydrolysis. C1 [Sathitsuksanoh, Noppadon; Zhu, Zhiguang; Zhang, Y-H. Percival] Virginia Tech, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Sathitsuksanoh, Noppadon; Zhang, Y-H. Percival] Virginia Tech, Inst Crit Technol & Appl Sci ICTAS, Blacksburg, VA 24061 USA. [Zhang, Y-H. Percival] DOE BioEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA. RP Zhang, YHP (reprint author), Virginia Tech, Dept Biol Syst Engn, 210-A Seitz Hall, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu RI sathitsuksanoh, noppadon/O-6305-2014; Zhu, Zhiguang/I-3936-2016 OI sathitsuksanoh, noppadon/0000-0003-1521-9155; FU DOE BioEnergy Science Center (BESC); USDA Bioprocessing and Biodesign Center; ICTAS FX This work was supported partially by the DOE BioEnergy Science Center (BESC), and USDA Bioprocessing and Biodesign Center. Noppadon Sathitsuksanoh was partially supported by the ICTAS scholar program. The authors would like to thank Dr. Scott Renneckar for providing the isolated lignin utilized in this study. The authors were grateful to Dr. Hua Zhao from Savannah State University, Drs. Chenlin Li and Ning Sun from the Joint BioEnergy Institute, and Dr. Chia-Hung Kuo from National Taiwan University of Science and Technology for their helpful discussions on cellulose dissolution in ionic liquids. NR 50 TC 25 Z9 26 U1 4 U2 65 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 J9 CELLULOSE JI Cellulose PD AUG PY 2012 VL 19 IS 4 BP 1161 EP 1172 DI 10.1007/s10570-012-9719-z PG 12 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA 958LA UT WOS:000305236900011 ER PT J AU Brennan, M McLean, JP Altaner, CM Ralph, J Harris, PJ AF Brennan, Maree McLean, J. Paul Altaner, Clemens M. Ralph, John Harris, Philip J. TI Cellulose microfibril angles and cell-wall polymers in different wood types of Pinus radiata SO CELLULOSE LA English DT Article DE Cellulose microfibril angle (MFA); (1 -> 4)-beta-Galactans; 2D NMR spectroscopy; Compression wood; Flexure wood; H-units in lignin ID LINUM-USITATISSIMUM L; FIBER-TYPE SYMMETRY; SPRUCE PICEA-ABIES; SOLUTION-STATE NMR; X-RAY-DIFFRACTION; MECHANICAL PERTURBATION; COMPRESSION WOOD; ACETYLATED GALACTOGLUCOMANNAN; THERMOMECHANICAL PULP; LARIX-LARICINA AB Four corewood types were examined from sapling trees of two clones of Pinus radiata grown in a glasshouse. Trees were grown either straight to produce normal corewood, tilted at 45A degrees from the vertical to produce opposite corewood and compression corewood, or rocked to produce flexure corewood. Mean cellulose microfibril angle of tracheid walls was estimated by X-ray diffraction and longitudinal swelling measured between an oven dry and moisture saturated state. Lignin and acetyl contents of the woods were measured and the monosaccharide compositions of the cell-wall polysaccharides determined. Finely milled wood was analysed using solution-state 2D NMR spectroscopy of gels from finely milled wood in DMSO-d (6)/pyridine-d (5). Although there was no significant difference in cellulose microfibril angle among the corewood types, compression corewood had the highest longitudinal swelling. A lignin content > 32 % and a galactosyl residue content > 6 % clearly divided severe compression corewood from the other corewood types. Relationships could be drawn between lignin content and longitudinal swelling, and between galactosyl residue content and longitudinal swelling. The 2D NMR spectra showed that the presence of H-units in lignin was exclusive to compression corewood, which also had a higher (1 -> 4)-beta-d-galactan content, defining a unique composition for that corewood type. C1 [Brennan, Maree; McLean, J. Paul; Altaner, Clemens M.; Harris, Philip J.] Univ Auckland, Sch Biol Sci, Auckland 1, New Zealand. [Ralph, John] Wisconsin Bioenergy Initiat, DOE Great Lakes Bioenergy Res Ctr, Dept Biochem, Madison, WI USA. [Ralph, John] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53706 USA. RP Harris, PJ (reprint author), Univ Auckland, Sch Biol Sci, Private Bag 92019, Auckland 1, New Zealand. EM p.harris@auckland.ac.nz RI Brennan, Maree/J-8739-2016 OI Brennan, Maree/0000-0002-2596-8910 FU New Zealand Foundation for Research, Science and Technology [PROJ-12401-PPS_UOC] FX We thank our colleagues at the University of Canterbury (Luis Apiolaza, Shakti Chauhan and John Walker) for provision of the wood samples, Heather Free, University of Auckland, for NMR spectroscopy of the polysaccharide and oligosaccharide standards and Michael Schmitz, University of Auckland, for assistance with the NMR spectroscopy. This work was supported by the New Zealand Foundation for Research, Science and Technology (PROJ-12401-PPS_UOC). NR 83 TC 18 Z9 20 U1 0 U2 51 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD AUG PY 2012 VL 19 IS 4 BP 1385 EP 1404 DI 10.1007/s10570-012-9697-1 PG 20 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA 958LA UT WOS:000305236900030 ER PT J AU Daw, JE Rempe, JL Knudson, DL AF Daw, Joshua E. Rempe, Joy L. Knudson, Darrell L. TI Hot Wire Needle Probe for In-Reactor Thermal Conductivity Measurement SO IEEE SENSORS JOURNAL LA English DT Article DE In-pile instrumentation; nuclear fuel properties; thermal conductivity measurement AB Thermal conductivity is a key property that must be known for proper design, test, and application of new fuels and structural materials in nuclear reactors. Thermal conductivity is highly dependent on the physical structure, chemical composition, and the state of the material. Typically, thermal conductivity changes that occur during irradiation are measured out-of-pile using a "cook and look" approach. Repeatedly removing samples from a test reactor to measurements is expensive, has the potential to disturb phenomena of interest, and only provides understanding of the sample's end state when each measurement is made. There are also limited thermophysical property data for advanced fuels. Such data are needed for simulation design codes, the development of next generation reactors, and advanced fuels for existing nuclear plants. Being able to quickly characterize fuel thermal conductivity during irradiation can improve the fidelity of data, reduce costs of post-irradiation examinations, increase understanding of how fuels behave under irradiation, and confirm or improve existing thermal conductivity measurement techniques. This paper discusses efforts to develop and evaluate an in-pile thermal conductivity sensor based on a hot wire needle probe. Testing has been performed on samples with thermal conductivities ranging from 0.2 to 22 W/m.K at temperatures ranging from 20 degrees C to 600 degrees C. Thermal conductivity values measured using the needle probe match data found in the literature to within 5% for samples tested at room temperature, 6% for low thermal conductivity samples tested at high temperatures, and 10% for high thermal conductivity samples tested at high temperatures. C1 [Daw, Joshua E.; Rempe, Joy L.; Knudson, Darrell L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Daw, JE (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM joshua.daw@inl.gov; joy.rempe@inl.gov; darrell.knudson@inl.gov OI Rempe, Joy/0000-0001-5527-3549 FU U.S. Department of Energy, Office of Nuclear Energy, under DOE-NE Idaho Operations Office [DE AC07 05ID14517] FX Manuscript received December 22, 2011; revised March 13, 2012; accepted April 10, 2012. Date of publication May 3, 2012; date of current version June 6, 2012. This work was supported in part by the U.S. Department of Energy, Office of Nuclear Energy, under DOE-NE Idaho Operations Office under Contract DE AC07 05ID14517. The associate editor co-ordinating the review of this paper and approving it for publication was Prof. Istvan Barsony. NR 16 TC 4 Z9 4 U1 0 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-437X J9 IEEE SENS J JI IEEE Sens. J. PD AUG PY 2012 VL 12 IS 8 BP 2554 EP 2560 DI 10.1109/JSEN.2012.2195307 PG 7 WC Engineering, Electrical & Electronic; Instruments & Instrumentation; Physics, Applied SC Engineering; Instruments & Instrumentation; Physics GA 958PW UT WOS:000305253900003 ER PT J AU Bansal, P AF Bansal, Pradeep TI A review - Status of CO2 as a low temperature refrigerant: Fundamentals and R&D opportunities SO APPLIED THERMAL ENGINEERING LA English DT Article; Proceedings Paper CT 13th Brazilian Congress of Thermal Sciences and Engineering (ENCIT) CY DEC 05-10, 2010 CL Uberlandia, BRAZIL SP Fed Univ Uberlandia, Fac Mech Engn, Brazilian Soc Mech Sci & Engn (ABCM) DE Refrigeration; CO2; Flow boiling; Transcritical; Booster; Secondary loop; Supermarket ID BOILING HEAT-TRANSFER; HORIZONTAL SMOOTH TUBE; SUPERMARKET REFRIGERATION; PRESSURE-DROP; SYSTEM AB Carbon dioxide (CO2) has emerged as one of the most promising and preferred refrigerants for low temperature refrigeration systems in the food and refrigeration industry and/or recreational activities. In recent times, the widespread use of CO2 refrigerant, particularly in supermarkets, has proved commercially attractive worldwide. Some of the designs that are most commonly used in industry include cascade, transcritical and transcritical booster, while many other interesting designs and variations are also being consistently used for specific situations. This paper presents the holistic view of the fundamentals and application of CO2 refrigerant in low temperature refrigeration systems, along with some discussion on its benign properties, thermodynamic analysis, the challenges, the need for fundamental research and design of novel systems for its continuing dominance in the refrigeration industry. (c) 2011 Elsevier Ltd. All rights reserved. C1 [Bansal, Pradeep] Univ Auckland, Dept Mech Engn, Auckland 92019, New Zealand. RP Bansal, P (reprint author), Oak Ridge Natl Lab, Bldg Equipment Program, POB 2008, Oak Ridge, TN 37831 USA. EM p.bansal@auckland.ac.nz NR 46 TC 24 Z9 26 U1 2 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-4311 J9 APPL THERM ENG JI Appl. Therm. Eng. PD AUG PY 2012 VL 41 SI SI BP 18 EP 29 DI 10.1016/j.applthermaleng.2011.12.006 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA 951LZ UT WOS:000304723400004 ER PT J AU Dempsey, P Bansal, P AF Dempsey, Patrick Bansal, Pradeep TI The art of air blast freezing: Design and efficiency considerations SO APPLIED THERMAL ENGINEERING LA English DT Article; Proceedings Paper CT 13th Brazilian Congress of Thermal Sciences and Engineering (ENCIT) CY DEC 05-10, 2010 CL Uberlandia, BRAZIL SP Fed Univ Uberlandia, Fac Mech Engn, Brazilian Soc Mech Sci & Engn (ABCM) DE Blast freezer; Batch; Carton; Refrigeration; Low temperature; Energy; Efficiency ID HEAT-TRANSFER COEFFICIENTS; MOISTURE TRANSFER; CHILLING PROCESS; CFD SIMULATION; FOOD AB Air blast freezing is a common freezing technique used throughout the world to freeze various food commodities from carcasses to packaged goods. The New Zealand Cold Storage industry identified blast freezing as the most energy intensive operation in the frozen food storage industry, consuming 8.1 GWh of electricity in New Zealand in 2005. This paper presents an overview of various types of blast freezers, their common design flaws, common energy saving measures and a best practice guide. A simulation model has also been presented to predict the performance and to design an optimal system under range of operating conditions. (c) 2011 Elsevier Ltd. All rights reserved. C1 [Dempsey, Patrick; Bansal, Pradeep] Univ Auckland, Dept Mech Engn, Auckland 1, New Zealand. RP Bansal, P (reprint author), Oak Ridge Natl Lab, Bldg Equipment Program, POB 2008, Oak Ridge, TN 37831 USA. EM p.bansal@auckland.ac.nz NR 53 TC 5 Z9 5 U1 5 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-4311 J9 APPL THERM ENG JI Appl. Therm. Eng. PD AUG PY 2012 VL 41 SI SI BP 71 EP 83 DI 10.1016/j.applthermaleng.2011.12.013 PG 13 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA 951LZ UT WOS:000304723400009 ER PT J AU Yu, HF Wang, CL Shene, CK Chen, JH AF Yu, Hongfeng Wang, Chaoli Shene, Ching-Kuang Chen, Jacqueline H. TI Hierarchical Streamline Bundles SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article DE Streamline bundles; flow saliency; seed placement; hierarchical clustering; level-of-detail; flow visualization ID OF-THE-ART; FLOW VISUALIZATION; FIBER TRACTS; PLACEMENT; SALIENCY AB Effective 3D streamline placement and visualization play an essential role in many science and engineering disciplines. The main challenge for effective streamline visualization lies in seed placement, i.e., where to drop seeds and how many seeds should be placed. Seeding too many or too few streamlines may not reveal flow features and patterns either because it easily leads to visual clutter in rendering or it conveys little information about the flow field. Not only does the number of streamlines placed matter, their spatial relationships also play a key role in understanding the flow field. Therefore, effective flow visualization requires the streamlines to be placed in the right place and in the right amount. This paper introduces hierarchical streamline bundles, a novel approach to simplifying and visualizing 3D flow fields defined on regular grids. By placing seeds and generating streamlines according to flow saliency, we produce a set of streamlines that captures important flow features near critical points without enforcing the dense seeding condition. We group spatially neighboring and geometrically similar streamlines to construct a hierarchy from which we extract streamline bundles at different levels of detail. Streamline bundles highlight multiscale flow features and patterns through clustered yet not cluttered display. This selective visualization strategy effectively reduces visual clutter while accentuating visual foci, and therefore is able to convey the desired insight into the flow data. C1 [Yu, Hongfeng; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Wang, Chaoli; Shene, Ching-Kuang] Michigan Technol Univ, Dept Comp Sci, Houghton, MI 49931 USA. RP Yu, HF (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM hyu@sandia.gov; chaoliw@mtu.edu; shene@mtu.edu; jhchen@sandia.gov FU US Department of Energy, Office of Advanced Scientific Computing Research; US National Science Foundation [IIS-1017935, OCI-0905008]; Michigan Technological University through REF; DOE [DE-AC04-94-AL85000] FX Our research sponsors include the US Department of Energy, Office of Advanced Scientific Computing Research; the US National Science Foundation through grants IIS-1017935 and OCI-0905008; and Michigan Technological University through a REF Research Seed grant. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corpration, a Lockheed Martin Company, for the DOE under contract DE-AC04-94-AL85000. Data sets courtesy of the Quake project, the Terascale Supernova Initiative, and the National Center for Atmospheric Research. NR 44 TC 20 Z9 22 U1 0 U2 14 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD AUG PY 2012 VL 18 IS 8 BP 1353 EP 1367 DI 10.1109/TVCG.2011.155 PG 15 WC Computer Science, Software Engineering SC Computer Science GA 955EQ UT WOS:000305000300015 PM 21931177 ER PT J AU Fernandez-Carrion, AJ Escudero, A Suchomel, MR Becerro, AI AF Jose Fernandez-Carrion, Alberto Escudero, Alberto Suchomel, Matthew R. Isabel Becerro, Ana TI Structural and kinetic study of phase transitions in LaYSi2O7 SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY LA English DT Article DE Silicate; Calcination; X-ray methods; Spectroscopy; Y2Si2O7 ID RARE-EARTH DISILICATES; HIGH-TEMPERATURE PHASES; RAY-POWDER DIFFRACTION; SI-29 MAS-NMR; SILICON-NITRIDE; OXIDATION BEHAVIOR; YTTRIUM SILICATES; SYSTEM; LA; CRYSTALLIZATION AB Phase transitions in LaYSi2O7 have been investigated as a function of temperature using XRD, NMR and TEM. Previously described empirical crystal structure guidelines based on average cation radius in rare-earth RE2Si2O7-type disilicates predict a stable tetragonal A-LaYSi2O7 polymorph at temperatures below 1500 degrees C. This study demonstrates that A-LaYSi2O7 is not thermodynamically stable at these temperatures and suggests that guidelines based on average cation size do not accurately describe the equilibrium behaviour of this silicate system. The A to G-type polymorph transition is extremely sluggish; complete transformation requires similar to 250 h at 1200 degrees C, and more than 3 weeks of calcination at 1100 degrees C. This observation is important when this type of material is used as environmental barrier coating (EBC) of advanced ceramics. Analysis of XRD and TEM data reveal complete substitution of Y and La on the rare-earth cation sites in both LaYSi2O7 polymorphs, but indicate preferential site occupancies in the G-type polymorph. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Jose Fernandez-Carrion, Alberto; Escudero, Alberto; Isabel Becerro, Ana] Inst Ciencia Mat Sevilla CSIC US, Seville 41092, Spain. [Jose Fernandez-Carrion, Alberto] Univ Seville, Dept Quim Inorgan, Seville 41071, Spain. [Suchomel, Matthew R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Becerro, AI (reprint author), Inst Ciencia Mat Sevilla CSIC US, C Amer Vespucio 49, Seville 41092, Spain. EM anieto@icmse.csic.es RI BECERRO, ANA /K-3804-2014; Suchomel, Matthew/C-5491-2015; Escudero, Alberto/I-2320-2016; OI BECERRO, ANA /0000-0003-2243-5438; Escudero, Alberto/0000-0002-0850-6589; SUCHOMEL, Matthew/0000-0002-9500-5079; Fernandez Carrion, Alberto Jose/0000-0001-8320-2828 FU F.P.D.I. from Junta de Andalucia; DGICYT [CTQ2010-14874/BQU]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Junta de Andalucia [FQM-6090] FX A.J. Fernandez-Carrion gratefully acknowledges an F.P.D.I. grant from Junta de Andalucia. Supported by DGICYT (Project no. CTQ2010-14874/BQU) and Junta de Andalucia (FQM-6090). Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 40 TC 8 Z9 8 U1 4 U2 24 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-2219 J9 J EUR CERAM SOC JI J. Eur. Ceram. Soc. PD AUG PY 2012 VL 32 IS 10 BP 2477 EP 2486 DI 10.1016/j.jeurceramsoc.2012.03.009 PG 10 WC Materials Science, Ceramics SC Materials Science GA 952HH UT WOS:000304782600049 ER PT J AU Tam, TK Chen, BW Lei, CH Liu, J AF Tam, Tsz Kin Chen, Baowei Lei, Chenghong Liu, Jun TI In situ regeneration of NADH via lipoamide dehydrogenase-catalyzed electron transfer reaction evidenced by spectroelectrochemistry SO BIOELECTROCHEMISTRY LA English DT Article DE NADH; Biocatalytic reduction; Electron transfer mediator; Spectroelectrochemistry ID GLASSY-CARBON ELECTRODE; FILM-MODIFIED ELECTRODES; ELECTROCATALYTIC REDUCTION; ELECTROCHEMICAL REGENERATION; CYCLIC VOLTAMMETRY; METHYL VIOLOGEN; NAD(+); ENZYME; NANOTUBES; ACID AB NAD/NADH is a coenzyme found in all living cells, carrying electrons from one reaction to another. We report on characterizations of in situ regeneration of NADH via lipoamide dehydrogenase (LD)-catalyzed electron transfer reaction to regenerate NADH using UV-vis spectroelectrochemistry. The Michaelis-Menten constant (K-m) and maximum velocity (V-max) of NADH regeneration were measured as 0.80 +/- 0.15 mM and 1.91 +/- 0.09 mu M s(-1) in a 1-mm thin-layer spectroelectrochemical cell using gold gauze as the working electrode at the applied potential -0.75 V (vs. Ag/AgCl). The electrocatalytic reduction of the NAD system was further coupled with the enzymatic conversion of pyruvate to lactate by lactate dehydrogenase to examine the coenzymatic activity of the regenerated NADH. Although the reproducible electrocatalytic reduction of NAD into NADH is known to be difficult compared to the electrocatalytic oxidation of NADH, our spectroelectrochemical results indicate that the in situ regeneration of NADH via LD-catalyzed electron transfer reaction is fast and sustainable and can be potentially applied to many NAD/NADH-dependent enzyme systems. (C) 2012 Elsevier B.V. All rights reserved. C1 [Tam, Tsz Kin; Chen, Baowei; Lei, Chenghong; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lei, CH (reprint author), Pacific NW Natl Lab, Mail Stop J4-02,POB 999, Richland, WA 99352 USA. EM Chenghong.Lei@pnl.gov RI Tam, Tsz Kin /F-9794-2011 FU Transformational Materials Science Initiative of Pacific Northwest National Laboratory (PNNL); NIH National Institute of General Medical Sciences [R01GM080987]; DOE by Battelle [DE-AC05-76RL01830] FX This research is supported by the Transformational Materials Science Initiative of Pacific Northwest National Laboratory (PNNL) and the NIH National Institute of General Medical Sciences (grant number R01GM080987). PNNL is a multiprogram national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 22 TC 3 Z9 3 U1 1 U2 26 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1567-5394 J9 BIOELECTROCHEMISTRY JI Bioelectrochemistry PD AUG PY 2012 VL 86 BP 92 EP 96 DI 10.1016/j.bioelechem.2012.03.002 PG 5 WC Biochemistry & Molecular Biology; Biology; Biophysics; Electrochemistry SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Biophysics; Electrochemistry GA 950GW UT WOS:000304638600013 PM 22497727 ER PT J AU Howe, JY AF Howe, Jane Y. TI Tributes to Peter A. Thrower-30 Years of Service to CARBON SO CARBON LA English DT Biographical-Item C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Howe, JY (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 1 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 0008-6223 J9 CARBON JI Carbon PD AUG PY 2012 VL 50 IS 9 BP 3123 EP 3127 DI 10.1016/j.carbon.2012.02.085 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 950JF UT WOS:000304644700002 ER PT J AU Contescu, CI Guldan, T Wang, P Burchell, TD AF Contescu, Cristian I. Guldan, Tyler Wang, Peng Burchell, Timothy D. TI The effect of microstructure on air oxidation resistance of nuclear graphite SO CARBON LA English DT Article ID CARBON-OXYGEN REACTION; POLYCRYSTALLINE GRAPHITE; SURFACE-AREA; GASIFICATION; TEMPERATURE; KINETICS; ADSORPTION; STRENGTH; DIOXIDE; MODEL AB Oxidation resistance in air of three grades of nuclear graphite with different structures was compared using a standard thermogravimetric method. Differences in the oxidation behavior have been identified with respect to both (i) the rate of oxidation in identical conditions and the derived apparent activation energy and pre-exponential factor and (ii) the penetration depth of the oxidant and the development of the oxidized layer. These differences were ascribed to structural differences between the three graphite grades, in particular the grain size and shape of the graphite filler, and the associated textural properties, such as total BET surface area and porosity distribution in the un-oxidized material. It was also found that the amount of strongly bonded surface oxygen complexes measured by thermodesorption significantly exceeds the amount afforded by the low BET surface area, and therefore low temperature oxygen chemisorption is not a reliable method for determining the amount of surface sites (re)active during air oxidation. The relationship between nuclear graphite microstructure and its oxidation resistance demonstrated in this work underlines the importance of performing comprehensive oxidation characterization studies of the new grades of nuclear graphite considered as candidates for very high temperature gas-cooled reactors. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Contescu, Cristian I.; Guldan, Tyler; Wang, Peng; Burchell, Timothy D.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37932 USA. RP Contescu, CI (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37932 USA. EM ContescuCI@ornl.gov RI Burchell, Tim/E-6566-2017; OI Burchell, Tim/0000-0003-1436-1192; Contescu, Cristian/0000-0002-7450-3722 FU United States Government [DE-AC05-00OR22725]; US Department of Energy, Office of Nuclear Energy under NGNP; United States Department of Energy [DE-AC05-00OR22725] FX This submission was supported by a contractor of the United States Government under Contract DE-AC05-00OR22725 with the United States Department of Energy. The United States Government retains, and the publisher, by accepting this submission 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 submission, or allow others to do so, for United States Government purposes.; This work was funded by the US Department of Energy, Office of Nuclear Energy under the NGNP Program. Oak Ridge National Laboratory is managed by U.T. Battelle LLC for the US Department of Energy, under contract DE-AC05-00OR22725. Thanks are addressed also to the reviewers who provided strong comments and suggested directions for improvement of the manuscript. NR 42 TC 18 Z9 18 U1 6 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD AUG PY 2012 VL 50 IS 9 BP 3354 EP 3366 DI 10.1016/j.carbon.2012.01.040 PG 13 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 950JF UT WOS:000304644700029 ER PT J AU Matthews, KM Bowyer, TW Saey, PRJ Payne, RF AF Matthews, K. M. Bowyer, T. W. Saey, P. R. J. Payne, R. F. TI The Workshop on Signatures of Medical and Industrial Isotope Production - WOSMIP; Strassoldo, Italy, 1-3 July 2009 SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Medical isotope production facilities; CTBT; IAEA; Xenon isotope signatures; Noble gas monitoring; Environmental radioxenon AB Radiopharmaceuticals make contributions of inestimable value to medical practice. With growing demand new technologies are being developed and applied worldwide. Most diagnostic procedures rely on Tc-99m and the use of uranium targets in reactors is currently the favored method of production, with 95% of the necessary Mo-99 parent currently being produced by four major global suppliers. Coincidentally there are growing concerns for nuclear security and proliferation. New disarmament treaties such as the Comprehensive Nuclear-Test-Ban Treaty (CTBT) are coming into effect and treaty compliance-verification monitoring is gaining momentum. Radioxenon emissions (isotopes Xe-131, 133, 133m and 135) from radiopharmaceutical production facilities are of concern in this context because radioxenon is a highly sensitive tracer for detecting nuclear explosions. There exists, therefore, a potential for confusing source attribution, with emissions from radiopharmaceutical-production facilities regularly being detected in treaty compliance-verification networks. The CTBT radioxenon network currently under installation is highly sensitive with detection limits approaching 0.1 mBq/m(3) and, depending on transport conditions and background, able to detect industrial release signatures from sites thousands of kilometers away. The method currently employed to distinguish between industrial and military radioxenon sources involves plots of isotope ratios Xe-133m/Xe-131m versus Xe-135/Xe-133, but source attribution can be ambiguous. Through the WOSMIP Workshop the environmental monitoring community is gaining a better understanding of the complexities of the processes at production facilities, and the production community is recognizing the impact their operations have on monitoring systems and their goal of nuclear non-proliferation. Further collaboration and discussion are needed, together with advances in Xe trapping technology and monitoring systems. Such initiatives will help in addressing the dichotomy which exists between expanding production and improving monitoring sensitivity, with the ultimate aim of enabling unambiguous distinction between different nuclide signatures. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Matthews, K. M.] Radioact Specialists Ltd, Christchurch 8053, New Zealand. [Bowyer, T. W.; Payne, R. F.] PNNL, Richland, WA 99352 USA. [Saey, P. R. J.] Vienna Univ Technol, Inst Atom, A-1020 Vienna, Austria. RP Matthews, KM (reprint author), Radioact Specialists Ltd, 95 Condell Ave, Christchurch 8053, New Zealand. EM murray.matthews@xtra.co.nz NR 7 TC 12 Z9 13 U1 0 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD AUG PY 2012 VL 110 BP 1 EP 6 DI 10.1016/j.jenvrad.2012.01.012 PG 6 WC Environmental Sciences SC Environmental Sciences & Ecology GA 948MD UT WOS:000304506400001 PM 22307052 ER PT J AU Snyder, DC Delmore, JE Tranter, T Mann, NR Abbott, ML Olson, JE AF Snyder, Darin C. Delmore, James E. Tranter, Troy Mann, Nick R. Abbott, Michael L. Olson, John E. TI Radioactive cesium isotope ratios as a tool for determining dispersal and re-dispersal mechanisms downwind from the Nevada Nuclear Security Site SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Radioactive cesium; Isotope ratios; Tests; Nevada Nuclear Security Site ID FALLOUT; CS-137; CS-137/CS-135; PRECIPITATION; RADIONUCLIDES; DEPOSITION; SEDIMENTS; BE-7 AB Fractionation of the two longer-lived radioactive cesium isotopes (Cs-135 and Cs-137) produced by above ground nuclear tests have been measured and used to clarify the dispersal mechanisms of cesium deposited in the area between the Nevada Nuclear Security Site and Lake Mead in the southwestern United States. Fractionation of these isotopes is due to the 135-decay chain requiring several days to completely decay to Cs-135, and the 137-decay chain less than one hour decay to Cs-137. Since the Cs precursors are gases, iodine and xenon, the Cs-135 plume was deposited farther downwind than the Cs-137 plume. Sediment core samples were obtained from the Las Vegas arm of Lake Mead, sub-sampled and analyzed for Cs-135/Cs-137 ratios by thermal ionization mass spectrometry. The layers proved to have nearly identical highly fractionated isotope ratios. This information is consistent with a model where the cesium was initially deposited onto the land area draining into Lake Mead and the composite from all of the above ground shots subsequently washed onto Lake Mead by high intensity rain and wind storms producing a layering of Cs activity, where each layer is a portion of the composite. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Snyder, Darin C.; Delmore, James E.; Tranter, Troy; Mann, Nick R.; Abbott, Michael L.; Olson, John E.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Snyder, DC (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Darin.Snyder@inl.gov RI Snyder, Darin/B-6863-2017 OI Snyder, Darin/0000-0001-8104-4248 FU U.S. Department of Energy [DE-AC07-05ID14517] FX This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 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. The authors would like to thank S. Sheppard and an anonymous reviewer for their thoughtful comments which have improved this manuscript. NR 21 TC 22 Z9 22 U1 0 U2 12 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD AUG PY 2012 VL 110 BP 46 EP 52 DI 10.1016/j.jenvrad.2012.01.019 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA 948MD UT WOS:000304506400007 PM 22361016 ER PT J AU Yin, JQ Landau, DP AF Yin, Junqi Landau, D. P. TI Massively parallel Wang-Landau sampling on multiple GPUs SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Wang-Landau sampling; CPU computing; Water clusters; Phase transition ID MONTE-CARLO SIMULATIONS; PHASE-TRANSITIONS; LIQUID WATER; ALGORITHM; QUANTUM; MODEL AB Wang-Landau sampling is implemented on the Graphics Processing Unit (CPU) with the Compute Unified Device Architecture (CUDA). Performances on three different CPU cards, including the new generation Fermi architecture card, are compared with that on a Central Processing Unit (CPU). The parameters for massively parallel Wang-Landau sampling are tuned in order to achieve fast convergence. For simulations of the water cluster systems, we obtain an average of over 50 times speedup for a given workload. (C) 2012 Elsevier B.V. All rights reserved. C1 [Yin, Junqi; Landau, D. P.] Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. [Yin, Junqi] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Yin, JQ (reprint author), Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. EM yinj@ornl.gov RI Yin, Junqi/F-6920-2014 OI Yin, Junqi/0000-0003-3843-5520 FU NSF [OCI-0904685, DMR-0810223] FX We thank D. Seaton for sharing codes, S. Schnabel for fruitful discussions and T. Vogel for critically reading the manuscript. Multiple GPU calculations were performed on a GPU cluster provided by the Research Computing Center (RCC) at the University of Georgia. We are grateful to S.-H. Tsai for her support at RCC. This work was supported by NSF grants Nos. OCI-0904685 and DMR-0810223. NR 43 TC 13 Z9 13 U1 0 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD AUG PY 2012 VL 183 IS 8 BP 1568 EP 1573 DI 10.1016/j.cpc.2012.02.023 PG 6 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 946VB UT WOS:000304384500002 ER PT J AU Lukas, KC Joshi, G Modic, K Ren, ZF Opeil, CP AF Lukas, K. C. Joshi, G. Modic, K. Ren, Z. F. Opeil, C. P. TI Thermoelectric properties of Ho-doped Bi0.88Sb0.12 SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID BISMUTH-ANTIMONY ALLOYS; BI-SB ALLOYS; BI1-XSBX ALLOYS; TRANSPORT-PROPERTIES; HOLMIUM; TRANSITION AB The Seebeck coefficients, electrical resistivities, total thermal conductivities, and magnetization are reported for temperatures between 5 and 350 K for n-type Bi0.88Sb0.12 nano-composite alloys made by Ho-doping at the 0, 1, and 3 % atomic levels. The alloys were prepared using a dc hot-pressing method, and are shown to be single phase for both Ho contents with grain sizes on the average of 900 nm. We find the parent compound has a maximum of ZT = 0.28 at 231 K, while doping 1 % Ho increases the maximum ZT to 0.31 at 221 K and the 3 % doped sample suppresses the maximum ZT = 0.24 at a temperature of 260 K. C1 [Lukas, K. C.; Joshi, G.; Ren, Z. F.; Opeil, C. P.] Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. [Modic, K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lukas, KC (reprint author), Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. EM lukaske@bc.edu RI Ren, Zhifeng/B-4275-2014 FU Air Force MURI [FA9550-10-1-0533] FX The authors gratefully acknowledge M. S. Dresselhaus, J. C. Lashley and P. S. Riseborough for their fruitful discussions and careful reading of the manuscript as well as G. McMahon for his assistance. This study is funded by the Air Force MURI program under contract FA9550-10-1-0533. NR 37 TC 3 Z9 4 U1 2 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD AUG PY 2012 VL 47 IS 15 BP 5729 EP 5734 DI 10.1007/s10853-012-6463-6 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 943HC UT WOS:000304110400014 ER PT J AU Labyed, Y Bigelow, TA AF Labyed, Yassin Bigelow, Timothy A. TI Optimization of the algorithms for estimating the ultrasonic attenuation along the propagation path SO ULTRASONICS LA English DT Article DE Ultrasound attenuation; Spectral-fit method; Multiple-filter method; Scattering ID BACKSCATTER COEFFICIENT MEASUREMENTS; PULSE-ECHO ULTRASOUND; SCATTERER SIZE; THERMAL THERAPY; ENVELOPE; PHANTOM AB In this study, we perform statistical analysis on two methods used to estimate the total ultrasound attenuation along the propagation path from the surface of the transducer to a region of interest at a particular depth; namely, the spectral-fit method and the multiple-filter method. We derive mathematical equations for the bias and variance in the attenuation estimates as a function of region of interest (ROI) size, imaging system bandwidth, and number of independent Gaussian filters (for the multiple filter method). We use numerical simulations to validate the mathematical equations and compare the two algorithms. The results show that the variance in the total attenuation coefficient estimates obtained with the two methods are comparable, and that the estimates are unbiased. For the multiple filter method, the optimal number of Gaussian filters is two. (c) 2012 Elsevier B.V. All rights reserved. C1 [Labyed, Yassin] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Bigelow, Timothy A.] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. RP Labyed, Y (reprint author), Los Alamos Natl Lab, Mail Stop D443, Los Alamos, NM 87545 USA. EM yassin@lanl.gov; bigelow@iastate.edu FU National Institutes of Health [R01 CA111289]; Iowa State University FX This project was supported by Grant # R01 CA111289 from the National Institutes of Health as well as Iowa State University. The content is solely the responsibility of the author and does not necessarily represent the official views of the National Institutes of Health. NR 26 TC 2 Z9 2 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0041-624X J9 ULTRASONICS JI Ultrasonics PD AUG PY 2012 VL 52 IS 6 BP 720 EP 729 DI 10.1016/j.ultras.2012.01.011 PG 10 WC Acoustics; Radiology, Nuclear Medicine & Medical Imaging SC Acoustics; Radiology, Nuclear Medicine & Medical Imaging GA 947OD UT WOS:000304438400005 PM 22424697 ER PT J AU Guy, RD Philip, B AF Guy, Robert D. Philip, Bobby TI A Multigrid Method for a Model of the Implicit Immersed Boundary Equations SO COMMUNICATIONS IN COMPUTATIONAL PHYSICS LA English DT Article DE Preconditioning; implicit methods; fluid-structure interaction ID NAVIER-STOKES EQUATIONS; EFFICIENT; VERSION; ROBUST AB Explicit time stepping schemes for the immersed boundary method require very small time steps in order to maintain stability. Solving the equations that arise from an implicit discretization is difficult. Recently, several different approaches have been proposed, but a complete understanding of this problem is still emerging. A multigrid method is developed and explored for solving the equations in an implicit-time discretization of a model of the immersed boundary equations. The model problem consists of a scalar Poisson equation with conformation-dependent singular forces on an immersed boundary. This model does not include the inertial terms or the incompressibility constraint. The method is more efficient than an explicit method, but the efficiency gain is limited. The multigrid method alone may not be an effective solver, but when used as a preconditioner for Krylov methods, the speed-up over the explicit-time method is substantial. For example, depending on the constitutive law for the boundary force, with a time step 100 times larger than the explicit method, the implicit method is about 15-100 times more efficient than the explicit method. A very attractive feature of this method is that the efficiency of the multigrid preconditioned Krylov solver is shown to be independent of the number of immersed boundary points. C1 [Guy, Robert D.] Univ Calif Davis, Dept Math, Davis, CA 95616 USA. [Philip, Bobby] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Guy, RD (reprint author), Univ Calif Davis, Dept Math, Davis, CA 95616 USA. EM guy@math.ucdavis.edu; philipb@ornl.gov OI Philip, Bobby/0000-0001-6716-3515 FU UCOP [09-LR-03-116724-GUYR]; NSF-DMS [0540779] FX This work was supported in part by UCOP grant 09-LR-03-116724-GUYR to RG and BP, as well as NSF-DMS grant 0540779 to RG. The authors would like to thank Grady Wright and Boyce Griffith for helpful discussions related to this project. NR 28 TC 9 Z9 9 U1 0 U2 11 PU GLOBAL SCIENCE PRESS PI WANCHAI PA ROOM 3208, CENTRAL PLAZA, 18 HARBOUR RD, WANCHAI, HONG KONG 00000, PEOPLES R CHINA SN 1815-2406 J9 COMMUN COMPUT PHYS JI Commun. Comput. Phys. PD AUG PY 2012 VL 12 IS 2 BP 378 EP 400 DI 10.4208/cicp.010211.070711s PG 23 WC Physics, Mathematical SC Physics GA 938WD UT WOS:000303763400003 ER PT J AU Liu, W Canfield, N AF Liu, Wei Canfield, Nathan TI Development of thin porous metal sheet as micro-filtration membrane and inorganic membrane support SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE Membrane support; Inorganic membrane; Porous metal sheet; Nickel alloy; Tape casting; Pore size; Permeability; Micro-filtration ID HOLLOW-FIBER MEMBRANES; LITHIUM-AIR BATTERIES; SHAPE-MEMORY ALLOY; TITANIUM POWDER; FABRICATION; ALUMINUM; TI AB A reactive material processing method is developed in this work for fabrication of thin (25-200 mu m) porous metal sheets of sub-micrometer pore sizes. A green sheet is first prepared by tape-casting of metal oxide-loaded slurry. Then, the green sheet is converted into a porous metallic structure through a high-temperature reduction process. Detailed preparation processes and characterization results are delineated with Ni materials as examples. The resulting 50 mu m-thick Ni sheet of about 50% porosity looks like a metal foil, which is strong enough to be self-supported and flexible to bending. The gas permeance and permeability, depending on the sheet thickness and preparation conditions, is ranged from 5.0 x 10(-5) to 4.0 x 10(-4) mol/(m(2) Pa s) and from 1.5 x 10(7) to 8.5 x 10(7) Barrer, respectively. Such porous metal sheets may be used directly as a micro-filtration membrane or serve as an inorganic membrane support platform. This innovation makes it possible to develop thin flat sheet inorganic membranes with surface area packing density similar or comparable to polymeric membrane sheets. (C) 2012 Published by Elsevier B.V. C1 [Liu, Wei; Canfield, Nathan] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Liu, W (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM wei.liu@pnl.gov FU US Department of Energy, Office of Industrial Technology [DE-FC36-04GO98014]; ADMA Products; Pacific Ethanol Inc. [DE-EE0003046] FX This work has been supported by US Department of Energy, Office of Industrial Technology Program under contract number DE-FC36-04GO98014 with industrial partnership with ADMA Products and Pacific Ethanol Inc., and under contract DE-EE0003046 awarded to the National Alliance for Advanced Biofuels and Bioproducts (NAABB) for Advanced Biofuels and Bioproducts (NAABB). We would like to thank our colleagues at PNNL, Mr. Curt Lavender, Dr. Garry Yang, Dr. Larry Pederson for helpful consulting at early stage of this work, and Shari Li, Jarrod Crum, and Tony Rao for their help and assistance to some experimental and characterization work. The pore size and permeability measurements were conducted by Porous Materials, Inc. (Ithaca, NY 14850). NR 28 TC 11 Z9 12 U1 4 U2 42 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD AUG 1 PY 2012 VL 409 BP 113 EP 126 DI 10.1016/j.memsci.2012.03.041 PG 14 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 939AJ UT WOS:000303775400013 ER PT J AU Yang, DL Tornga, S Orler, B Welch, C AF Yang, Dali Tornga, Stephanie Orler, Bruce Welch, Cindy TI Aging of poly(vinylidene fluoride) hollow fibers in light hydrocarbon environments SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE Hollow fibers; PVDF; PVDF/PEG blend; Thermal stability; Light hydrocarbons; Structured packings ID DIFFERENTIAL SCANNING CALORIMETRY; POLYVINYLIDENE FLUORIDE; ASYMMETRIC MEMBRANES; THERMAL-BEHAVIOR; PVDF MEMBRANES; MORPHOLOGY; COMPATIBILITY; BLENDS; CRYSTALLIZATION; SPECTROSCOPY AB In this work, PVDF hollow fibers were aged in different light hydrocarbon solvents (e.g. paraffins, olefins, and aromatics with carbon number <9) and the thermal, mechanical, morphological, and structural properties of the resulting fibers were determined. While TGA, DSC, and DMA are used to probe the thermal and mechanical stability for the bulk samples, XRD and FTIR are used to probe the polymorphic crystalline phases on the sub-nanometer length scale. Combined with BET and SEM results on pore structure, the changes in polymorphic crystalline phases together with the changes in the morphology provide scientific insights on the interactions that the hydrocarbon solvents and aging have on the properties of the PVDF micro-porous hollow fibers. The results suggest that after a long-term exposure at <= 50 degrees C, the chemical and morphological structures of PVDF change more noticeably in solvents with the carbon number >= 6 than those with a lower carbon number. Furthermore, aromatic solvents produce greater changes than the paraffins of the same carbon number do. However, aging studies show that the PVDF hollow fibers preserve the thermal and mechanical properties in light hydrocarbon solvents for more than two years at the elevated temperature. (C) 2012 Elsevier B.V. All rights reserved. C1 [Yang, Dali; Tornga, Stephanie; Orler, Bruce; Welch, Cindy] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Yang, DL (reprint author), Los Alamos Natl Lab, MST 7, Los Alamos, NM 87545 USA. EM dyang@lanl.gov OI Welch, Cynthia/0000-0002-4638-6434 FU DOE Energy Efficiency and Renewable Energy (EERE) FX We gratefully acknowledge DOE Energy Efficiency and Renewable Energy (EERE) - Industrial Technology Program (ITP) for funding this work. We would like to thank Dr. Malcolm Morrison for providing fruitful discussions on the PVDF hollow fiber spinning and production. The authors thank Vivian Ding for collecting the SEM images. NR 64 TC 7 Z9 8 U1 0 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 EI 1873-3123 J9 J MEMBRANE SCI JI J. Membr. Sci. PD AUG 1 PY 2012 VL 409 BP 302 EP 317 DI 10.1016/j.memsci.2012.03.067 PG 16 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 939AJ UT WOS:000303775400032 ER PT J AU D'Azevedo, EF Fata, SN AF D'Azevedo, E. F. Fata, S. Nintcheu TI On the effective implementation of a boundary element code on graphics processing units using an out-of-core LU algorithm SO ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS LA English DT Article DE Collocation approximation; Boundary element method; Triangulated boundary; Graphics processor ID FACTORIZATION AB A collocation boundary element code for solving the three-dimensional Laplace equation, publicly available from http://intetec.org, has been adapted to run on an Nvidia Tesla general-purpose graphics processing unit (CPU). Global matrix assembly and LU factorization of the resulting dense matrix are performed on the CPU. Out-of-core techniques are used to solve problems larger than the available CPU memory. The code achieved about 10 times speedup in matrix assembly over a single CPU core and about 56 Gflops/s in the LU factorization using only 512 Mbytes of GPU memory. Details of the CPU implementation and comparisons with the standard sequential algorithm are included to illustrate the performance of the CPU code. (C) 2012 Elsevier Ltd. All rights reserved. C1 [D'Azevedo, E. F.; Fata, S. Nintcheu] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Fata, SN (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, POB 2008,MS 6367, Oak Ridge, TN 37831 USA. EM nintcheufats@ornl.gov FU Office of Advanced Scientific Computing Research, U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX This work was supported by the Office of Advanced Scientific Computing Research, U.S. Department of Energy, under Contract no. DE-AC05-00OR22725 with UT-Battelle, LLC. NR 19 TC 2 Z9 2 U1 0 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-7997 J9 ENG ANAL BOUND ELEM JI Eng. Anal. Bound. Elem. PD AUG PY 2012 VL 36 IS 8 BP 1246 EP 1255 DI 10.1016/j.enganabound.2012.02.014 PG 10 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 933NR UT WOS:000303369300009 ER PT J AU Johnson, C Adolphi, NL Butler, KL Lovato, DM Larson, R Schwindt, PDD Flynn, ER AF Johnson, Cort Adolphi, Natalie L. Butler, Kimberly L. Lovato, Debbie M. Larson, Richard Schwindt, Peter D. D. Flynn, Edward R. TI Magnetic relaxometry with an atomic magnetometer and SQUID sensors on targeted cancer cells SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Magnetic relaxometry; SQUID; Atomic magnetometer; Magnetic nanoparticle; Cancer ID NEEL RELAXATION; NANOPARTICLES; SYSTEM AB Magnetic relaxometry methods have been shown to be very sensitive in detecting cancer cells and other targeted diseases. Superconducting quantum interference device (SQUID) sensors are one of the primary sensor systems used in this methodology because of their high sensitivity with demonstrated capabilities of detecting fewer than 100,000 magnetically-labeled cancer cells. The emerging technology of atomic magnetometers (AMs) represents a new detection method for magnetic relaxometry with high sensitivity and without the requirement for cryogens. We report here on a study of magnetic relaxometry using both AM and SQUID sensors to detect cancer cells that are coated with superparamagnetic nanoparticles through antibody targeting. The AM studies conform closely to SQUID sensor results in the measurement of the magnetic decay characteristics following a magnetization pulse. The AM and SQUID sensor data are well described theoretically for superparamagnetic particles bound to cells and the results can be used to determine the number of cells in a cell culture or tumor. The observed fields and magnetic moments of cancer cells are linear with the number of cells over a very large range. The AM sensor demonstrates very high sensitivity for detecting magnetically labeled cells, does not require cryogenic cooling and is relatively inexpensive. (C) 2012 Elsevier B.V. All rights reserved. C1 [Flynn, Edward R.] Senior Sci LLC, Albuquerque, NM 87111 USA. [Johnson, Cort; Schwindt, Peter D. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Adolphi, Natalie L.] Univ New Mexico, Dept Biochem & Mol Biol, Albuquerque, NM 87131 USA. [Butler, Kimberly L.; Lovato, Debbie M.; Larson, Richard] Univ New Mexico, Dept Pathol, Canc Res & Treatment Ctr, Albuquerque, NM 87131 USA. RP Flynn, ER (reprint author), Senior Sci LLC, 11109 Country Club NE, Albuquerque, NM 87111 USA. EM seniorsci@comcast.net FU National Institutes of Health [RAI066765B, RCA096154B, RCA105742B, RCA123785B]; Tobacco Settlement Fund [C-2334-TSF]; Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Senior Scientific, LLC, acknowledges the support of the National Institutes of Health under Grants RAI066765B, RCA096154B, RCA105742B, and RCA123785B. NLA acknowledges support from the Tobacco Settlement Fund under Grant C-2334-TSF. This work was supported in part by a New Mexico Small Business Assistance grant at Sandia National Laboratories. 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 DE-AC04-94AL85000. NLA has equity interests in ABQMR and nanoMR; neither company sponsored this work. NR 29 TC 14 Z9 16 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD AUG PY 2012 VL 324 IS 17 BP 2613 EP 2619 DI 10.1016/j.jmmm.2012.03.015 PG 7 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 934CH UT WOS:000303418100004 PM 22773885 ER PT J AU Pang, XF Wetter, M Bhattacharya, P Haves, P AF Pang, Xiufeng Wetter, Michael Bhattacharya, Prajesh Haves, Philip TI A framework for simulation-based real-time whole building performance assessment SO BUILDING AND ENVIRONMENT LA English DT Article DE Energy Plus; Energy modeling; Real-time; Building simulation; Building performance; Building controls virtual test bed ID SYSTEMS AB Most commercial buildings do not perform as well in practice as intended by the design and their performances often deteriorate over time. Reasons include faulty construction, malfunctioning equipment, incorrectly configured control systems and inappropriate operating procedures. One approach to addressing this problems is to compare the predictions of an energy simulation model of the building to the measured performance and analyze significant differences to infer the presence and location of faults. This paper presents a framework that allows a comparison of building actual performance and expected performance in real time. The realization of the framework utilized the EnergyPlus, the Building Controls Virtual Test Bed (BCVTB) and the Energy Management and Control System (EMCS) was developed. An EnergyPlus model that represents expected performance of a building runs in real time and reports the predicted building performance at each time step. The BCVTB is used as the software platform to acquire relevant inputs from the EMCS through a BACnet interface and send them to the EnergyPlus and to a database for archiving. A proof-of-concept demonstration is also presented. Published by Elsevier Ltd. C1 [Pang, Xiufeng; Wetter, Michael; Bhattacharya, Prajesh; Haves, Philip] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Pang, XF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 90R3147, Berkeley, CA 94720 USA. EM xpang@lbl.gov; mwetter@lbl.gov; pbhattacharya@lbl.gov; phaves@lbl.gov FU ESTCP of US Department of Defense; Office of Building Technology, State and Community of the U.S. Department of Energy [DE-AC02-05CH11231] FX This project is a collaboration between LBNL and the United Technologies Research Center and is funded by the ESTCP program of the US Department of Defense and by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State and Community Programs of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Views, opinions, and/or findings contained in this paper are those of the authors and should not be construed as an official Department of Defense position or decision unless so designated by other official document. NR 20 TC 36 Z9 36 U1 3 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 J9 BUILD ENVIRON JI Build. Environ. PD AUG PY 2012 VL 54 BP 100 EP 108 DI 10.1016/j.buildenv.2012.02.003 PG 9 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA 931NA UT WOS:000303225400011 ER PT J AU Tabares-Velasco, PC Christensen, C Bianchi, M AF Tabares-Velasco, Paulo Cesar Christensen, Craig Bianchi, Marcus TI Verification and validation of EnergyPlus phase change material model for opaque wall assemblies SO BUILDING AND ENVIRONMENT LA English DT Article DE Phase change materials; Validation; Building energy simulation; Building envelope; PCM; Storage ID SHAPE-STABILIZED PCM; THERMAL PERFORMANCE; BUILDING APPLICATIONS; STORAGE; SIMULATION; WALLBOARD; TRNSYS; ROOM AB Phase change materials (PCMs) represent a technology that may reduce peak loads and HVAC energy consumption in buildings. A few building energy simulation programs have the capability to simulate PCMs, but their accuracy has not been completely tested. This study shows the procedure used to verify and validate the PCM model in Energy Plus using a similar approach as dictated by ASHRAE Standard 140, which consists of analytical verification, comparative testing, and empirical validation. This process was valuable, as two bugs were identified and fixed in the PCM model, and version 7.1 of Energy Plus will have a validated PCM model. Preliminary results using whole-building energy analysis show that careful analysis should be done when designing PCMs in homes, as their thermal performance depends on several variables such as PCM properties and location in the building envelope. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Tabares-Velasco, Paulo Cesar; Christensen, Craig; Bianchi, Marcus] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Tabares-Velasco, PC (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd,MS 5202, Golden, CO 80401 USA. EM paulo.tabares@nrel.gov; Craig.Christensen@nrel.gov; Marcus.Bianchi@owenscorning.com RI Tabares-Velasco, Paulo/E-8216-2013 FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. The authors would like to thank Ben Polly and Dane Christensen of NREL for their critical reviews and Brent Griffith of NREL for his technical support. NR 43 TC 61 Z9 64 U1 5 U2 40 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 J9 BUILD ENVIRON JI Build. Environ. PD AUG PY 2012 VL 54 BP 186 EP 196 DI 10.1016/j.buildenv.2012.02.019 PG 11 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA 931NA UT WOS:000303225400020 ER PT J AU Foster, JT Frew, DJ Forrestal, MJ Nishida, EE Chen, W AF Foster, J. T. Frew, D. J. Forrestal, M. J. Nishida, E. E. Chen, W. TI Shock testing accelerometers with a Hopkinson pressure bar SO INTERNATIONAL JOURNAL OF IMPACT ENGINEERING LA English DT Article DE Shock testing accelerometers; Hopkinson pressure bar; Pulse shaping ID PULSE SHAPING TECHNIQUES; PENETRATION; DECELERATION; PERFORMANCE AB The electronic industry continues to dramatically reduce the size of electrical components. Many of these components are now small enough to allow shock testing with Hopkinson pressure bar techniques. However, conventional Hopkinson bar techniques must be modified to provide a broad array of shock pulse amplitudes and durations. For this study, we evaluate the shock response of accelerometers that measure large amplitude pulses, such as those experienced in projectile perforation and penetration tests. In particular, we modified the conventional Hopkinson bar apparatus to produce relatively long duration pulses. The modified apparatus consists of a steel striker bar, annealed copper pulse shapers, an aluminum incident bar, and a tungsten disk with mounted accelerometers. With these modifications, we obtained accelerations pulses that reached amplitudes of 10 kG and durations of 0.5 ms. To evaluate the performance of the accelerometers, acceleration-time responses are compared with a model that uses data from a quartz stress gage. Comparisons of data from both measurements are in good agreement. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Foster, J. T.] Univ Texas San Antonio, San Antonio, TX 78249 USA. [Frew, D. J.] Dynam Syst & Res Inc, Albuquerque, NM 87110 USA. [Nishida, E. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Chen, W.] Purdue Univ, W Lafayette, IN 47907 USA. RP Foster, JT (reprint author), Univ Texas San Antonio, 1 UTSA Circle, San Antonio, TX 78249 USA. EM john.foster@utsa.edu RI Foster, John/K-5291-2016 OI Foster, John/0000-0002-7173-4728 FU DoD/DOE; United States Department of Energy [DE-AC04-94AL85000] FX This work was supported by the Joint DoD/DOE Munitions Program. Sandia is a mulitprogram laboratory operated by Sandia Corporation, a Lockeed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 11 TC 4 Z9 7 U1 2 U2 21 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0734-743X J9 INT J IMPACT ENG JI Int. J. Impact Eng. PD AUG PY 2012 VL 46 BP 56 EP 61 DI 10.1016/j.ijimpeng.2012.02.006 PG 6 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 930YD UT WOS:000303179800005 ER PT J AU Anand, VK Anupam Hossain, Z Ramakrishnan, S Thamizhavel, A Adroja, DT AF Anand, V. K. Anupam Hossain, Z. Ramakrishnan, S. Thamizhavel, A. Adroja, D. T. TI Magnetic and transport properties of Pr2Pt3Si5 SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Intermettalics; Magnetization; Ac susceptibility; Specific heat; Crystal field effect; Thermo-remnant magnetization ID EARTH-IRON SILICIDES; TEMPERATURE HEAT-CAPACITY; SPIN-GLASS; SUPERCONDUCTIVITY; BEHAVIOR; CE2NI3GE5; COMPOUND; CRYSTAL AB We have investigated the magnetic and transport properties of a polycrystalline Pr2Pt3Si5 sample through the dc and ac magnetic susceptibilities, electrical resistivity, and specific heat measurements. The Rietveld refinement of the powder X-ray diffraction data reveals that Pr2Pt3Si5 crystallizes in the U2CO3Si5-type orthorhombic structure (space group Ibam). Both the dc and ac magnetic susceptibility data measured at low fields exhibit sharp anomaly near 15 K. In contrast, the specific heat data exhibit only a broad anomaly implying no long range magnetic order down to 2 K. The broad Schottky-type anomaly in low temperature specific heat data is interpreted in terms of crystal electric field (CEF) effect, and a CEF-split singlet ground state is inferred. The absence of the long range order is attributed to the presence of nonmagnetic singlet ground state of the Pr3+ ion. The electrical resistivity data exhibit metallic behavior and are well described by the Bloch-Gruniesen-Mott relation. (C) 2012 Elsevier B.V. All rights reserved. C1 [Anand, V. K.; Ramakrishnan, S.; Thamizhavel, A.] Tata Inst Fundamental Res, Dept Condensed Matter Phys & Mat Sci, Bombay 400005, Maharashtra, India. [Anand, V. K.; Adroja, D. T.] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. [Anupam; Hossain, Z.] Indian Inst Technol, Dept Phys, Kanpur 208016, Uttar Pradesh, India. RP Anand, VK (reprint author), Iowa State Univ, Dept Phys & Astron, Ames Lab, Ames, IA 50011 USA. EM vivekkranand@gmail.com RI Thamizhavel, Arumugam/A-1801-2011; Anand, Vivek Kumar/J-3381-2013; Guleria, Anupam/I-1322-2014 OI Thamizhavel, Arumugam/0000-0003-1679-4370; Anand, Vivek Kumar/0000-0003-2023-7040; Guleria, Anupam/0000-0002-4158-2241 NR 41 TC 4 Z9 4 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD AUG PY 2012 VL 324 IS 16 BP 2483 EP 2487 DI 10.1016/j.jmmm.2012.03.016 PG 5 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 930SM UT WOS:000303160000012 ER PT J AU Humphries, AR DeMasi, OA Magpantay, FMG Upham, F AF Humphries, A. R. DeMasi, O. A. Magpantay, F. M. G. Upham, F. TI DYNAMICS OF A DELAY DIFFERENTIAL EQUATION WITH MULTIPLE STATE-DEPENDENT DELAYS SO DISCRETE AND CONTINUOUS DYNAMICAL SYSTEMS LA English DT Article DE Delay differential equations; state-dependent delays; Hopf bifurcations; periodic solutions; bistability; tori; period-doubling ID BOUNDARY-LAYER PHENOMENA; TIME LAGS; FEEDBACK; BISTABILITY AB We study the dynamics of a linear scalar delay differential equationmm epsilon u(t) = -gamma u(t) - Sigma(N)(i=1)kappa(i)u(t - a(i) - c(i)u(t)), which has trivial dynamics with fixed delays (c(i) = 0). We show that if the delays are allowed to be linearly state-dependent (c(i) not equal 0) then very complex dynamics can arise, when there are two or more delays. We present a numerical study of the bifurcation structures that arise in the dynamics, in the non-singularly perturbed case, epsilon = 1. We concentrate on the case N - 2 and c(1) = c(2) = c and show the existence of bistability of periodic orbits, stable invariant tori, isola of periodic orbits arising as locked orbits on the torus, and period doubling bifurcations. C1 [Humphries, A. R.; DeMasi, O. A.; Magpantay, F. M. G.; Upham, F.] McGill Univ, Dept Math & Stat, Montreal, PQ H3A 0B9, Canada. [DeMasi, O. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Upham, F.] NYU, Steinhardt Sch Culture Educ & Human Dev, New York, NY 10003 USA. RP Humphries, AR (reprint author), McGill Univ, Dept Math & Stat, Montreal, PQ H3A 0B9, Canada. EM tony.humphries@mcgill.ca; odemasi@lbl.gov; magpantay@math.mcgill.ca; finn.upham@gmail.com FU NSERC (Canada); McGill University; Institut des Sciences Mathematiques, Montreal; NSERC FX Tony Humphries is grateful to John Mallet-Paret and Roger Nussbaum for introducing him to this problem, and patiently explaining their results for the in the case N = 1. He is also thanks NSERC (Canada) for funding through the Discovery Award program. We are grateful to Dave Barton for his assistance in computing the branch of period-doubled solutions seen in Figures 9 and 10. We also greatly appreciate his other tips and comments on DDE-Biftool. Orianna DeMasi thanks McGill University for a Science Undergraduate Research Award. Felicia Magpantay is grateful to McGill University, The Institut des Sciences Mathematiques, Montreal and NSERC for funding. Finn Upham is grateful to NSERC for an Undergraduate Student Research Award. NR 39 TC 7 Z9 7 U1 0 U2 11 PU AMER INST MATHEMATICAL SCIENCES PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA SN 1078-0947 J9 DISCRETE CONT DYN-A JI Discret. Contin. Dyn. Syst. PD AUG PY 2012 VL 32 IS 8 SI SI BP 2701 EP 2727 DI 10.3934/dcds.2012.32.2701 PG 27 WC Mathematics, Applied; Mathematics SC Mathematics GA 919SQ UT WOS:000302349300005 ER PT J AU Fang, ZD Martin, J Wang, Z AF Fang, Zhide Martin, Jeffrey Wang, Zhong TI Statistical methods for identifying differentially expressed genes in RNA-Seq exeriments SO CELL AND BIOSCIENCE LA English DT Review ID SEQUENCE COUNT DATA; MICROARRAYS; GENOME; QUANTIFICATION; NORMALIZATION; POWERFUL; ARRAYS; TESTS; RATES; SAGE AB RNA sequencing (RNA-Seq) is rapidly replacing microarrays for profiling gene expression with much improved accuracy and sensitivity. One of the most common questions in a typical gene profiling experiment is how to identify a set of transcripts that are differentially expressed between different experimental conditions. Some of the statistical methods developed for microarray data analysis can be applied to RNA-Seq data with or without modifications. Recently several additional methods have been developed specifically for RNA-Seq data sets. This review attempts to give an in-depth review of these statistical methods, with the goal of providing a comprehensive guide when choosing appropriate metrics for RNA-Seq statistical analyses. C1 [Fang, Zhide] Louisiana State Univ, Hlth Sci Ctr, Sch Publ Hlth, Biostat Program, New Orleans, LA 70112 USA. [Martin, Jeffrey; Wang, Zhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Martin, Jeffrey; Wang, Zhong] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Wang, Zhong] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. RP Fang, ZD (reprint author), Louisiana State Univ, Hlth Sci Ctr, Sch Publ Hlth, Biostat Program, 2020 Gravier St,3rd Floor, New Orleans, LA 70112 USA. EM zfang@lsuhsc.edu FU Office of Science of the DOE [DE-AC02-05CH11231] FX The work conducted by the US Department of Energy (DOE) Joint Genome Institute is supported by the Office of Science of the DOE under contract number DE-AC02-05CH11231. The views and opinions of the authors expressed herein do not necessarily state or reflect those of the United States government, or any agency thereof, or the Regents of the University of California. NR 42 TC 14 Z9 14 U1 4 U2 56 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 2045-3701 J9 CELL BIOSCI JI Cell Biosci. PD JUL 31 PY 2012 VL 2 AR 26 DI 10.1186/2045-3701-2-26 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 068HM UT WOS:000313357000001 PM 22849430 ER PT J AU Jiao, DA Rempe, SB AF Jiao, Dian Rempe, Susan B. TI Combined Density Functional Theory (DFT) and Continuum Calculations of pK(a) in Carbonic Anhydrase SO BIOCHEMISTRY LA English DT Article ID QUASI-CHEMICAL THEORY; MOLECULAR-DYNAMICS SIMULATIONS; LIVER ALCOHOL-DEHYDROGENASE; PROTON-TRANSFER REACTIONS; ZINC-BOUND WATER; FREE-ENERGY; CATALYTIC MECHANISM; ACTIVE-SITE; AB-INITIO; COMPUTER-SIMULATION AB Deprotonation of zinc-bound water in carbonic anhydrase II is the rate-limiting step in the catalysis of carbon dioxide between gas- and water-soluble forms. To understand the factors determining the extent of dissociation, or pK(a), of the zinc-bound water, we apply quantum chemistry calculations to the active site coupled with a continuum model of the surrounding environment. Experimentally determined changes in pK(a) associated with mutations of the active site are well reproduced by this approach. Analysis of the active site structure and charge/dipole values provides evidence that mutations cause changes in both conformation of the active site structure and local polarization, which accounts for the shifts in pK(a). More specifically, the shifts in pK(a) correlate with the dipole moments of the zinc-bound water upon deprotonation. The data further support the conclusion that the distinct pK(a) values found in mutations of the same type, but applied to different sites, result from asymmetric ligation and different electronic environments around the zinc ion. C1 [Jiao, Dian; Rempe, Susan B.] Sandia Natl Labs, Ctr Biol & Mat Sci, Albuquerque, NM 87185 USA. RP Rempe, SB (reprint author), Sandia Natl Labs, Ctr Biol & Mat Sci, MS 0895, Albuquerque, NM 87185 USA. EM slrempe@sandia.gov FU Sandia Laboratory Directed Research and Development Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We would like to acknowledge funding from the Sandia Laboratory Directed Research and Development Program and helpful discussions with Dr. Bruce Bunker. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 98 TC 6 Z9 6 U1 0 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 EI 1943-295X J9 BIOCHEMISTRY-US JI Biochemistry PD JUL 31 PY 2012 VL 51 IS 30 BP 5979 EP 5989 DI 10.1021/bi201771q PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 998TF UT WOS:000308262600012 PM 22732064 ER PT J AU Hurt, RA Brown, SD Podar, M Palumbo, AV Elias, DA AF Hurt, Richard A., Jr. Brown, Steven D. Podar, Mircea Palumbo, Anthony V. Elias, Dwayne A. TI Sequencing Intractable DNA to Close Microbial Genomes SO PLOS ONE LA English DT Article ID PCR; AMPLIFICATION; METHYLATION; POLYMERASE; PROJECT; PLACE; DGTP; ERA AB Advancement in high throughput DNA sequencing technologies has supported a rapid proliferation of microbial genome sequencing projects, providing the genetic blueprint for in-depth studies. Oftentimes, difficult to sequence regions in microbial genomes are ruled "intractable" resulting in a growing number of genomes with sequence gaps deposited in databases. A procedure was developed to sequence such problematic regions in the "non-contiguous finished" Desulfovibrio desulfuricans ND132 genome (6 intractable gaps) and the Desulfovibrio africanus genome (1 intractable gap). The polynucleotides surrounding each gap formed GC rich secondary structures making the regions refractory to amplification and sequencing. Strand-displacing DNA polymerases used in concert with a novel ramped PCR extension cycle supported amplification and closure of all gap regions in both genomes. The developed procedures support accurate gene annotation, and provide a step-wise method that reduces the effort required for genome finishing. C1 [Hurt, Richard A., Jr.; Brown, Steven D.; Podar, Mircea; Palumbo, Anthony V.; Elias, Dwayne A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Hurt, RA (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. EM eliasda@ornl.gov RI Palumbo, Anthony/A-4764-2011; Elias, Dwayne/B-5190-2011; Brown, Steven/A-6792-2011; OI Palumbo, Anthony/0000-0002-1102-3975; Elias, Dwayne/0000-0002-4469-6391; Brown, Steven/0000-0002-9281-3898; Podar, Mircea/0000-0003-2776-0205 FU United States Department of Energy under the Subsurface Biogeochemical Research Program (SBR), Office of Biological and Environmental Research, Office of Science. Oak Ridge National Laboratory [DE-AC05-00OR22725] FX This research was conducted as part of the Oak Ridge National Laboratory Mercury Science Focus Area and was supported by The United States Department of Energy under the Subsurface Biogeochemical Research Program (SBR), Office of Biological and Environmental Research, Office of Science. Oak Ridge National Laboratory is managed by University of Tennessee UT-Battelle LLC for the Department of Energy under Contract No. DE-AC05-00OR22725. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 33 TC 6 Z9 6 U1 0 U2 7 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 31 PY 2012 VL 7 IS 7 AR e41295 DI 10.1371/journal.pone.0041295 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 982LS UT WOS:000307045600019 PM 22859974 ER PT J AU Zhang, YY Xie, SC Covey, C Lucas, DD Gleckler, P Klein, SA Tannahill, J Doutriaux, C Klein, R AF Zhang, Yuying Xie, Shaocheng Covey, Curt Lucas, Donald D. Gleckler, Peter Klein, Stephen A. Tannahill, John Doutriaux, Charles Klein, Richard TI Regional assessment of the parameter-dependent performance of CAM4 in simulating tropical clouds SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID MODEL; FEEDBACK; UNCERTAINTIES; SENSITIVITY AB Representation of clouds remains among the largest uncertainties in climate models and thus climate projections. Clouds vary significantly over different climate regimes and are controlled by different dynamics and physics. Using the cloud simulator output from perturbed-parameter ensemble climate runs with prescribed monthly sea surface temperature, this study examines the performance of the Community Atmosphere Model version 4 (CAM4) in simulating clouds over different tropical regions. Perturbing 28 selected parameters shows that model performance is quite sensitive to parameter values in different cloud regimes. Carefully adjusting these parameters could lead to a better simulation of clouds over many regions compared with the default model. Latin hypercube runs that pseudo-randomly sample the 28 parameters simultaneously have much wider spread and more spatial variations than the runs with parameters varied One-At-a-Time (OAT), suggesting the importance of non-linearities and interactions among parameters associated with different physical processes. The perturbed parameters have a relatively large impact on the mean bias compared to the pattern error. Citation: Zhang, Y., S. Xie, C. Covey, D. D. Lucas, P. Gleckler, S. A. Klein, J. Tannahill, C. Doutriaux, and R. Klein (2012), Regional assessment of the parameter-dependent performance of CAM4 in simulating tropical clouds, Geophys. Res. Lett., 39, L14708, doi:10.1029/2012GL052184. C1 [Zhang, Yuying; Xie, Shaocheng; Covey, Curt; Lucas, Donald D.; Gleckler, Peter; Klein, Stephen A.; Tannahill, John; Doutriaux, Charles; Klein, Richard] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Zhang, YY (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM zhang24@llnl.gov RI Xie, Shaocheng/D-2207-2013; Zhang, Yuying/H-5011-2012; Klein, Stephen/H-4337-2016 OI Xie, Shaocheng/0000-0001-8931-5145; Klein, Stephen/0000-0002-5476-858X FU LLNL Institutional Science and Technology Office under the Uncertainty Quantification Strategic Initiative Laboratory-Directed Research and Development Project [10-SI-013]; Regional and Global Climate Modeling Program of the Office of Science at the U. S. Department of Energy; Earth System Modeling program of the Office of Science at the U. S. Department of Energy; U. S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This study is supported by the LLNL Institutional Science and Technology Office under the Uncertainty Quantification Strategic Initiative Laboratory-Directed Research and Development Project 10-SI-013. This work is also supported by the Regional and Global Climate Modeling Program and Earth System Modeling program of the Office of Science at the U. S. Department of Energy. 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 24 TC 11 Z9 11 U1 1 U2 17 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD JUL 31 PY 2012 VL 39 AR L14708 DI 10.1029/2012GL052184 PG 7 WC Geosciences, Multidisciplinary SC Geology GA 988FF UT WOS:000307473600001 ER PT J AU Jaime, M Daou, R Crooker, SA Weickert, F Uchida, A Feiguin, AE Batista, CD Dabkowska, HA Gaulin, BD AF Jaime, Marcelo Daou, Ramzy Crooker, Scott A. Weickert, Franziska Uchida, Atsuko Feiguin, Adrian E. Batista, Cristian D. Dabkowska, Hanna A. Gaulin, Bruce D. TI Magnetostriction and magnetic texture to 100.75 Tesla in frustrated SrCu2(BO3)(2) SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE high magnetic fields; quantum magnet; field-induced magnetic texturing; density matrix renormalization group; magnetocaloric effect ID QUANTUM RENORMALIZATION-GROUPS; GROUND-STATE; SYSTEM SRCU2(BO3)(2); SPIN SYSTEM; ANTIFERROMAGNET; PLATEAUS; FIELD AB Strong geometrical frustration in magnets leads to exotic states such as spin liquids, spin supersolids, and complex magnetic textures. SrCu2(BO3)(2), a spin-1/2 Heisenberg antiferromagnet in the arche-typical Shastry-Sutherland lattice, exhibits a rich spectrum of magnetization plateaus and stripe-like magnetic textures in applied fields. The structure of these plateaus is still highly controversial due to the intrinsic complexity associated with frustration and competing length scales. We discover magnetic textures in SrCu2(BO3)(2) via magnetostriction and magnetocaloric measurements in fields up to 100.75 T. In addition to observing low-field fine structure with unprecedented resolution, the data also reveal lattice responses at 73.6 T and at 82 T that we attribute, using a controlled density matrix renormalization group approach, to a unanticipated 2/5 plateau and to the long-predicted 1/2 plateau. C1 [Jaime, Marcelo; Crooker, Scott A.; Uchida, Atsuko] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Jaime, Marcelo; Crooker, Scott A.; Weickert, Franziska; Uchida, Atsuko] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Daou, Ramzy] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. [Daou, Ramzy] Helmholtz Zentrum, Dresden High Magnet Field Lab, D-01314 Dresden, Germany. [Feiguin, Adrian E.] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. [Batista, Cristian D.] Los Alamos Natl Lab, Theory Div, Los Alamos, NM 87545 USA. [Dabkowska, Hanna A.; Gaulin, Bruce D.] McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M1, Canada. [Gaulin, Bruce D.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. RP Jaime, M (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. EM mjaime@lanl.gov RI Weickert, Franziska/F-3557-2015; Jaime, Marcelo/F-3791-2015; Batista, Cristian/J-8008-2016 OI Weickert, Franziska/0000-0002-1545-9645; Jaime, Marcelo/0000-0001-5360-5220; FU National Science Foundation [DMR-0955707]; Research Initiative: Materials Science and Condensed Matter Research at HLD; Euro-MagNET II under the European Union [228043]; National Science Foundation; US Department of Energy; State of Florida; U.S. DOE BES project "Science at 100 T" FX We deeply thank the 100 T coil-winding and magnet assembling team: J. Lucero, J. Michel, E. Serna, M. Pacheco, and D. Rickel, and the magnet operation team: C. Swenson, D. Roybal, M. Gordon, J. Martin, and Y. Coulter, for the commissioning and operation of the NHMFL 100 T magnet; J. Betts and F. Balakirev for assistance with experiments; and N. Harrison for the determination of the magnetic field using de Haas-van Alphen effect in copper. M.J. thanks F. Steglich and M. Nicklas for their hospitality at the Max-Planck Institute for Chemical Physics of Solids, Dresden. A.F. acknowledges National Science Foundation funding under Grant DMR-0955707. Experiments at the High Magnetic Field Laboratory Dresden (HLD) were sponsored by the Research Initiative: Materials Science and Condensed Matter Research at HLD and Euro-MagNET II under the European Union contract 228043. Work at the NHMFL was supported by the National Science Foundation, the US Department of Energy, and the State of Florida. M.J. and S.A.C acknowledge support by the U.S. DOE BES project "Science at 100 T". NR 25 TC 40 Z9 40 U1 4 U2 47 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 31 PY 2012 VL 109 IS 31 BP 12404 EP 12407 DI 10.1073/pnas.1200743109 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 989CQ UT WOS:000307538200034 ER PT J AU Phatak, C Pan, M Petford-Long, AK Hong, S De Graef, M AF Phatak, C. Pan, M. Petford-Long, A. K. Hong, S. De Graef, M. TI Magnetic interactions and reversal of artificial square spin ices SO NEW JOURNAL OF PHYSICS LA English DT Article AB Artificial spin ices are nanoscale geometrically engineered systems that mimic the behavior of bulk spin ices at room temperature. We describe the nanoscale magnetic interactions in a square spin ice lattice by an experimentally verified model that accounts for the correct shape of the magnetic islands. Magnetic force microscopy measurements on lithographically fabricated lattices are compared to Monte Carlo simulations of the reversal process of two lattices with different lattice spacings. Lattice node statistics and correlations show significant differences in the reversal mechanism for lattices with different spacings. The effect of structural variations is also compared for the two lattice reversals. C1 [Phatak, C.; Pan, M.; Petford-Long, A. K.; Hong, S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Pan, M.; Petford-Long, A. K.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Petford-Long, A. K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [De Graef, M.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. RP Phatak, C (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM cd@anl.gov RI Petford-Long, Amanda/P-6026-2014; Phatak, Charudatta/A-1874-2010; Hong, Seungbum/B-7708-2009; DeGraef, Marc/G-5827-2010 OI Petford-Long, Amanda/0000-0002-3154-8090; Hong, Seungbum/0000-0002-2667-1983; DeGraef, Marc/0000-0002-4721-6226 FU Argonne National Laboratory (ANL), a US DOE Science Laboratory [DE-AC02-06CH11357]; DOE's Office of Basic Energy Sciences [DE-FG02-01ER45893] FX This work was carried out at Argonne National Laboratory (ANL), a US DOE Science Laboratory operated under contract no. DE-AC02-06CH11357 by UChicago Argonne, LLC. We also acknowledge the use of the Center for Nanoscale Materials at ANL. MDG acknowledges DOE's Office of Basic Energy Sciences for partial support (DE-FG02-01ER45893). We acknowledge M Tanase for sample preparation and E Gulsoy for help with digital MFM image analysis. NR 22 TC 13 Z9 13 U1 1 U2 32 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD JUL 31 PY 2012 VL 14 AR 075028 DI 10.1088/1367-2630/14/7/075028 PG 14 WC Physics, Multidisciplinary SC Physics GA 982WX UT WOS:000307077200001 ER PT J AU Zhu, XD Lei, HC Petrovic, C Zhang, YH AF Zhu, Xiangde Lei, Hechang Petrovic, Cedomir Zhang, Yuheng TI Surface-induced magnetic fluctuations in a single-crystal NiBi3 superconductor SO PHYSICAL REVIEW B LA English DT Article ID FERROMAGNETISM; COEXISTENCE AB We report anistropy in a superconducting and normal state of NiBi3 single crystals with T-c = 4.06 K. The magnetoresistance results indicate the absence of scattering usually associated with ferromagnetic metals, suggesting the absence of bulk long range magnetic order below 300 K. However, the electron spin resonance results demonstrate that ferromagnetism fluctuations exist on the surface of the crystal below 150 K. C1 [Zhu, Xiangde; Zhang, Yuheng] Chinese Acad Sci, High Magnet Lab, Hefei 230026, Peoples R China. [Zhu, Xiangde; Zhang, Yuheng] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Lei, Hechang; Petrovic, Cedomir] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Zhu, XD (reprint author), Chinese Acad Sci, High Magnet Lab, Hefei 230026, Peoples R China. EM xdzhu@hmfl.ac.cn RI 张, 裕恒/H-4377-2011; Zhu, Xiangde/M-5869-2014; Petrovic, Cedomir/A-8789-2009; LEI, Hechang/H-3278-2016 OI Petrovic, Cedomir/0000-0001-6063-1881; FU US DOE [DE-AC02-98CH10886]; State Key Project of Fundamental Research, China [2010CB923403]; National Basic Research Program of China (973 Program) [2011CBA00111] FX We thank Dr. Wei Tong for the help on ESR measurements. Work at Brookhaven National Laboratory (H. L. and C. P.) was supported by the US DOE under Contract No. DE-AC02-98CH10886. Work at High magnetic field laboratory (Hefei) was supported by the State Key Project of Fundamental Research, China (2010CB923403) and National Basic Research Program of China (973 Program), No. 2011CBA00111. NR 27 TC 8 Z9 8 U1 5 U2 29 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 31 PY 2012 VL 86 IS 2 AR 024527 DI 10.1103/PhysRevB.86.024527 PG 5 WC Physics, Condensed Matter SC Physics GA 981SU UT WOS:000306991700002 ER PT J AU Berdiyorov, GR Milosevic, MV Latimer, ML Xiao, ZL Kwok, WK Peeters, FM AF Berdiyorov, G. R. Milosevic, M. V. Latimer, M. L. Xiao, Z. L. Kwok, W. K. Peeters, F. M. TI Large Magnetoresistance Oscillations in Mesoscopic Superconductors due to Current-Excited Moving Vortices SO PHYSICAL REVIEW LETTERS LA English DT Article ID LITTLE-PARKS OSCILLATIONS; MAGNETIC-FIELD; PHASE-BOUNDARY; FLUXOID QUANTIZATION; II SUPERCONDUCTORS; VORTEX STATES; WIRE NETWORKS; TEMPERATURE; CYLINDER; MICROLADDER AB We show in the case of a superconducting Nb ladder that a mesoscopic superconductor typically exhibits magnetoresistance oscillations whose amplitude and temperature dependence are different from those stemming from the Little-Parks effect. We demonstrate that these large resistance oscillations (as well as the monotonic background on which they are superimposed) are due to current-excited moving vortices, where the applied current in competition with the oscillating Meissner currents imposes or removes the barriers for vortex motion in an increasing magnetic field. Because of the ever present current in transport measurements, this effect should be considered in parallel with the Little-Parks effect in low-critical temperature (T-c) samples, as well as with recently proposed thermal activation of dissipative vortex-antivortex pairs in high-T-c samples. C1 [Berdiyorov, G. R.; Milosevic, M. V.; Peeters, F. M.] Univ Antwerp, Dept Fys, B-2020 Antwerp, Belgium. [Latimer, M. L.; Xiao, Z. L.; Kwok, W. K.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Latimer, M. L.; Xiao, Z. L.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. RP Berdiyorov, GR (reprint author), Univ Antwerp, Dept Fys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. EM xiao@anl.gov; francois.peeters@ua.ac.be RI Milosevic, Milorad/H-9393-2012; CMT, UAntwerpen Group/A-5523-2016 FU Flemish Science Foundation (FWO-Vl); Belgian Science Policy (IAP); U. S. Department of Energy (DOE) [DE-FG02-06ER46334]; FWO-Vl; DOE BES [DE-AC02-06CH11357] FX This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP) (theory) and by the U. S. Department of Energy (DOE) Award No. DE-FG02-06ER46334 (experiment). G. R. B. acknowledges individual grant from FWO-Vl. W. K. K. acknowledges support from DOE BES under Contract No. DE-AC02-06CH11357, which also funds Argonne's Center for Nanoscale Materials (CNM) where the focused-ion-beam milling was performed. NR 69 TC 31 Z9 31 U1 5 U2 53 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 31 PY 2012 VL 109 IS 5 AR 057004 DI 10.1103/PhysRevLett.109.057004 PG 6 WC Physics, Multidisciplinary SC Physics GA 981TZ UT WOS:000306994900024 PM 23006202 ER PT J AU Somma, RD Nagaj, D Kieferova, M AF Somma, Rolando D. Nagaj, Daniel Kieferova, Maria TI Quantum Speedup by Quantum Annealing SO PHYSICAL REVIEW LETTERS LA English DT Article ID COMPLEXITY; SYSTEMS AB We study the glued-trees problem from A. M. Childs, R. Cleve, E. Deotto, E. Farhi, S. Gutmann, and D. Spielman, in Proceedings of the 35th Annual ACM Symposium on Theory of Computing (ACM, San Diego, CA, 2003), p. 59. in the adiabatic model of quantum computing and provide an annealing schedule to solve an oracular problem exponentially faster than classically possible. The Hamiltonians involved in the quantum annealing do not suffer from the so-called sign problem. Unlike the typical scenario, our schedule is efficient even though the minimum energy gap of the Hamiltonians is exponentially small in the problem size. We discuss generalizations based on initial-state randomization to avoid some slowdowns in adiabatic quantum computing due to small gaps. C1 [Somma, Rolando D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Nagaj, Daniel; Kieferova, Maria] Slovak Acad Sci, Res Ctr Quantum Informat, Bratislava, Slovakia. RP Somma, RD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Nagaj, Daniel/D-4753-2013 OI Nagaj, Daniel/0000-0001-8370-9952 FU European project Q-ESSENCE; Slovak Research and Development Agency [LPP-0430-09, APVV-0646-10 COQI]; National Science Foundation through the CCF program; Laboratory Directed Research and Development Program at Los Alamos; Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank S. Jordan, A. Childs, and A. Landahl for discussions. D. N. acknowledges support from the European project Q-ESSENCE, the Slovak Research and Development Agency under the Contracts No. LPP-0430-09, and No. APVV-0646-10 COQI. R. D. S. acknowledges support from the National Science Foundation through the CCF program and the Laboratory Directed Research and Development Program at Los Alamos and Sandia National Laboratories. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 24 TC 25 Z9 25 U1 1 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 31 PY 2012 VL 109 IS 5 AR 050501 DI 10.1103/PhysRevLett.109.050501 PG 5 WC Physics, Multidisciplinary SC Physics GA 981TZ UT WOS:000306994900003 PM 23006152 ER PT J AU Weber, F Rosenkranz, S Pintschovius, L Castellan, JP Osborn, R Reichardt, W Heid, R Bohnen, KP Goremychkin, EA Kreyssig, A Hradil, K Abernathy, DL AF Weber, F. Rosenkranz, S. Pintschovius, L. Castellan, J. -P. Osborn, R. Reichardt, W. Heid, R. Bohnen, K. -P. Goremychkin, E. A. Kreyssig, A. Hradil, K. Abernathy, D. L. TI Electron-Phonon Coupling in the Conventional Superconductor YNi2B2C at High Phonon Energies Studied by Time-of-Flight Neutron Spectroscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID BOROCARBIDES; SCATTERING; LUNI2B2C; NI AB We report an inelastic neutron scattering investigation of phonons with energies up to 159 meV in the conventional superconductor YNi2B2C. Using the sweep mode, a newly developed time-of-flight technique involving the continuous rotation of a single crystal specimen, allowed us to measure a four-dimensional volume in (Q, E) space and, thus, determine the dispersion surface and linewidths of the A(1g) (approximate to 102 meV) and A(u) (approximate to 159 meV) type phonon modes over the whole Brillouin zone. Despite of having linewidths of Gamma = 10 meV, A(1g) modes do not strongly contribute to the total electron-phonon coupling constant lambda. However, experimental linewidths show a remarkable agreement with ab initio calculations over the complete phonon energy range, demonstrating the accuracy of such calculations in a rare comparison to a comprehensive experimental data set. C1 [Weber, F.; Rosenkranz, S.; Castellan, J. -P.; Osborn, R.; Goremychkin, E. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Weber, F.; Pintschovius, L.; Reichardt, W.; Heid, R.; Bohnen, K. -P.] Karlsruhe Inst Technol, Inst Solid State Phys, D-76021 Karlsruhe, Germany. [Kreyssig, A.] Tech Univ Dresden, Inst Festkorperphys, D-01062 Dresden, Germany. [Hradil, K.] Univ Gottingen, Inst Phys Chem, Aussenstelle FRM 2, D-85747 Garching, Germany. [Abernathy, D. L.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Weber, F (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM frank.weber@kit.edu RI Rosenkranz, Stephan/E-4672-2011; Abernathy, Douglas/A-3038-2012; Hradil, Klaudia/M-7069-2014; BL18, ARCS/A-3000-2012 OI Rosenkranz, Stephan/0000-0002-5659-0383; Abernathy, Douglas/0000-0002-3533-003X; Hradil, Klaudia/0000-0002-6989-2495; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Work at Argonne was supported by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 20 TC 13 Z9 13 U1 2 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 31 PY 2012 VL 109 IS 5 AR 057001 DI 10.1103/PhysRevLett.109.057001 PG 5 WC Physics, Multidisciplinary SC Physics GA 981TZ UT WOS:000306994900021 PM 23006199 ER PT J AU Daniilidis, N Narayanan, S Moller, SA Clark, R Lee, TE Leek, PJ Wallraff, A Schulz, S Schmidt-Kaler, F Haffner, H AF Daniilidis, N. Narayanan, S. Moeller, S. A. Clark, R. Lee, T. E. Leek, P. J. Wallraff, A. Schulz, St Schmidt-Kaler, F. Haeffner, H. TI Fabrication and heating rate study of microscopic surface electrode ion traps (vol 13, 013032, 2011) SO NEW JOURNAL OF PHYSICS LA English DT Correction C1 [Daniilidis, N.; Narayanan, S.; Moeller, S. A.; Haeffner, H.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Daniilidis, N.; Narayanan, S.; Moeller, S. A.; Clark, R.] Inst Quantenopt & Quanteninformat, Innsbruck, Austria. [Clark, R.; Schulz, St] MIT, Ctr Ultracold Atoms, Cambridge, MA 02139 USA. [Lee, T. E.] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Leek, P. J.; Wallraff, A.] ETH, Dept Phys, CH-8093 Zurich, Switzerland. [Schmidt-Kaler, F.] Johannes Gutenberg Univ Mainz, QUANTUM, D-55128 Mainz, Germany. [Haeffner, H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Daniilidis, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM hhaeffner@berkeley.edu RI Wallraff, Andreas/C-2130-2009; Haeffner, Hartmut/D-8046-2012; Schmidt-Kaler, Ferdinand/E-2151-2017 OI Wallraff, Andreas/0000-0002-3476-4485; Haeffner, Hartmut/0000-0002-5113-9622; NR 1 TC 4 Z9 4 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD JUL 31 PY 2012 VL 14 AR 079504 DI 10.1088/1367-2630/14/7/079504 PG 1 WC Physics, Multidisciplinary SC Physics GA 982WY UT WOS:000307077300004 ER PT J AU Lensch-Falk, JL Banga, D Hopkins, PE Robinson, DB Stavila, V Sharma, PA Medlin, DL AF Lensch-Falk, J. L. Banga, D. Hopkins, P. E. Robinson, D. B. Stavila, V. Sharma, P. A. Medlin, D. L. TI Electrodeposition and characterization of nano-crystalline antimony telluride thin films SO THIN SOLID FILMS LA English DT Article DE Thermoelectrics; Electrochemical deposition; Transmission electron microscopy; Microstructure; Thermal conductivity ID ATOMIC LAYER EPITAXY; BISMUTH TELLURIDE; THERMOELECTRIC PROPERTIES; PULSED ELECTRODEPOSITION; BI2TE3; SB2TE3; ELECTROCRYSTALLIZATION; HEAT; DEPOSITION; STOICHIOMETRY AB Electrodeposition is a promising low-cost method to fabricate nanostructured thermoelectric thin films such as Sb2Te3. However, electrodeposition of crystalline Sb2Te3 without the need for additional processing and with good compositional control has presented a challenge. Here we report on the electrodeposition of crystalline Sb2Te3 thin films at room temperature from a tartaric-nitric acid electrolyte using a pulsed, potentiostatic process. The effects of synthesis conditions on the resulting microstructure and compositional homogeneity are investigated using x-ray diffraction, electron diffraction, electron microscopy, and energy dispersive x-ray spectroscopy. The composition of the Sb-Te films was found to be dependent on the interval between pulses, a result that is likely due to the slow kinetics associated with Sb2Te3 formation at the surface. We also observed a change in texture and microstructure with varied applied pulse duration: for short pulse durations a lamellar microstructure with a {000l} texture forms, whereas for longer pulse durations a more equiaxed and randomly oriented microstructure forms. The thermal conductivities of the pulsed electro-deposited films are surprisingly low at less than 2 W/K.m and are found to systematically decrease with reduced pulse time. (C) 2012 Elsevier B. V. All rights reserved. C1 [Lensch-Falk, J. L.; Banga, D.; Robinson, D. B.; Stavila, V.; Medlin, D. L.] Sandia Natl Labs, Livermore, CA 94550 USA. [Hopkins, P. E.; Sharma, P. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Hopkins, P. E.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. RP Medlin, DL (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. EM dlmedli@sandia.gov RI Sharma, Peter/G-1917-2011; Stavila, Vitalie/B-6464-2008 OI Sharma, Peter/0000-0002-3071-7382; Stavila, Vitalie/0000-0003-0981-0432 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia's Laboratory-Directed Research and Development Program FX The authors would like to thank Alex Kane for his assistance with the AFM measurements, Michelle Hekmaty for her assistance with TEM sample preparation, and Nancy Yang and Jeff Chames for the SEM/EDS measurements. 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. Support was provided in part by Sandia's Laboratory-Directed Research and Development Program. NR 58 TC 7 Z9 7 U1 4 U2 78 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD JUL 31 PY 2012 VL 520 IS 19 BP 6109 EP 6117 DI 10.1016/j.tsf.2012.05.078 PG 9 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 970CE UT WOS:000306104900011 ER PT J AU Adams, DP Rodriguez, MA Romero, JA Kotula, PG Banks, J AF Adams, D. P. Rodriguez, M. A. Romero, J. A. Kotula, P. G. Banks, J. TI Cubic erbium trihydride thin films SO THIN SOLID FILMS LA English DT Article DE Thin film; Microstructure; Sputter deposition ID STRUCTURAL PHASE-TRANSITION; RARE-EARTH TRIHYDRIDES; SWITCHABLE OPTICAL-PROPERTIES; LANTHANUM HYDRIDE FILMS; INTRINSIC STRESSES; METAL-HYDRIDES; HIGH-PRESSURE; YTTRIUM; HYDROGEN; GROWTH AB High-purity, erbiumhydride thin films have been deposited onto alpha-Al2O3 and oxidized Si by reactive sputtering methods. Rutherford backscattering spectrometry and elastic recoil detection show that films deposited at temperatures of 35, 150 and 275 degrees C have a composition of 3H:1Er. Erbium trihydride films consist of a face-centered cubic erbium sub-lattice with a lattice parameter in the range of 5.11-5.20 angstrom. The formation of cubic ErH3 is intriguing, because previous studies demonstrate a single trihydride phase with a hexagonal metal sub-lattice. The formation of a stable, cubic trihydride phase is attributed to a large, in-plane stress resulting from ion beam sputter deposition. (C) 2012 Elsevier B. V. All rights reserved. C1 [Adams, D. P.; Rodriguez, M. A.; Romero, J. A.; Kotula, P. G.; Banks, J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Adams, DP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dpadams@sandia.gov RI Kotula, Paul/A-7657-2011 OI Kotula, Paul/0000-0002-7521-2759 FU Laboratory Directed Research Development (LDRD) Program at Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX DPA appreciates discussions with J. Floro, R. Goeke and B. Doyle. AES analysis was completed by R. W. Buttry. This research was supported by a Laboratory Directed Research Development (LDRD) Program at Sandia National Laboratories. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 48 TC 0 Z9 0 U1 2 U2 16 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD JUL 31 PY 2012 VL 520 IS 19 BP 6145 EP 6152 DI 10.1016/j.tsf.2012.06.008 PG 8 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 970CE UT WOS:000306104900017 ER PT J AU Ohodnicki, PR Natesakhawat, S Baltrus, JP Howard, B Brown, TD AF Ohodnicki, Paul R., Jr. Natesakhawat, Sittichai Baltrus, John P. Howard, Bret Brown, Thomas D. TI Characterization of optical, chemical, and structural changes upon reduction of sol-gel deposited SnO2 thin films for optical gas sensing at high temperatures SO THIN SOLID FILMS LA English DT Article DE Tin dioxide; High temperature gas sensor; Optical properties; Hydrogen sensor; Reduction; Nanoparticles; Absorption; Sol-gel deposition ID METAL-OXIDES; SENSORS; TIO2 AB Sensor technologies that can operate under extreme conditions including high temperatures, high pressures, highly reducing and oxidizing environments, and corrosive gases are needed for process monitoring and control in advanced fossil energy applications. Optical sensors based on metal oxide thin films are important candidates and an improved understanding of the fundamental link between structural/chemical changes in thin films and measured optical properties in the presence of various gas species under relevant conditions is needed to aid in sensor development efforts. In support of this need, the manuscript describes the synthesis and structural/optical characterization of SnO2 thin films through standard sol-gel techniques that are subsequently reduced in an inert atmosphere containing 4-10% hydrogen. Early stage film reduction occurs through formation of metallic liquid Sn nanoparticles upon exposure to hydrogen at elevated temperatures (>similar to 500 degrees C) that solidify upon cooling to room temperature. Simulated sensing measurements illustrate that a significant change in transmission of films deposited on planar substrates were observed under conditions where significant film reduction occurred. Because film reduction is an irreversible process in the absence of an oxidizing species, these results suggest that SnO2 may have limited practical use as a high temperature material for optical sensing in reducing atmospheres. Our results also highlight that caution must be employed in the interpretation of high temperature sensing results based upon standard surface interaction models for temperatures and gas environments where bulk film reduction may occur. This work serves as a basis for similar investigations in other standard metal oxide systems for gas sensing applications such as TiO2, ZnO, and WO3. Published by Elsevier B.V. C1 [Ohodnicki, Paul R., Jr.; Natesakhawat, Sittichai; Baltrus, John P.; Howard, Bret; Brown, Thomas D.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Ohodnicki, Paul R., Jr.] Carnegie Mellon Univ, Mat Sci & Engn Dept, Pittsburgh, PA 15213 USA. [Natesakhawat, Sittichai] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15260 USA. RP Ohodnicki, PR (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM Paul.Ohodnicki@NETL.DOE.GOV OI Natesakhawat, Sittichai/0000-0003-1272-1238 FU U.S. DOE at National Energy Technology Laboratory; United States Government FX This work was funded by the U.S. DOE Advanced Research program at the National Energy Technology Laboratory and managed by Patricia Rawls (project manager) and Robert Romanosky (technology manager). This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 28 TC 18 Z9 18 U1 0 U2 45 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD JUL 31 PY 2012 VL 520 IS 19 BP 6243 EP 6249 DI 10.1016/j.tsf.2012.05.023 PG 7 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 970CE UT WOS:000306104900035 ER PT J AU Larsen, P Hamada, Y Gilbert, J AF Larsen, Peter Hamada, Yuki Gilbert, Jack TI Modeling microbial communities: Current, developing, and future technologies for predicting microbial community interaction SO JOURNAL OF BIOTECHNOLOGY LA English DT Article DE Microbial; Bacteria; Modeling; Metagenomics ID 16S RIBOSOMAL-RNA; BACTERIAL COMMUNITIES; METAGENOMIC ANALYSIS; TRIFOLIUM-REPENS; UNSEEN MAJORITY; MARINE MICROBES; RARE BIOSPHERE; LOLIUM-PERENNE; CLIMATE-CHANGE; SOIL AB Never has there been a greater opportunity for investigating microbial communities. Not only are the profound effects of microbial ecology on every aspect of Earth's geochemical cycles beginning to be understood, but also the analytical and computational tools for investigating microbial Earth are undergoing a rapid revolution. This environmental microbial interactome, the system of interactions between the microbiome and the environment, has shaped the planet's past and will undoubtedly continue to do so in the future. We review recent approaches for modeling microbial community structures and the interactions of microbial populations with their environments. Different modeling approaches consider the environmental microbial interactome from different aspects, and each provides insights to different facets of microbial ecology. We discuss the challenges and opportunities for the future of microbial modeling and describe recent advances in microbial community modeling that are extending current descriptive technologies into a predictive science. (C) 2012 Elsevier B.V. All rights reserved. C1 [Gilbert, Jack] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Larsen, Peter; Hamada, Yuki] Argonne Natl Lab, Argonne, IL 60439 USA. RP Gilbert, J (reprint author), Univ Chicago, Dept Ecol & Evolut, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM gilbertjack@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. Dept. of Energy [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, and perform publicly and display publicly, by or on behalf of the Government.; This work was supported by the U.S. Dept. of Energy under Contract DE-AC02-06CH11357. NR 101 TC 19 Z9 21 U1 1 U2 93 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1656 J9 J BIOTECHNOL JI J. Biotechnol. PD JUL 31 PY 2012 VL 160 IS 1-2 BP 17 EP 24 DI 10.1016/j.jbiotec.2012.03.009 PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 958ZN UT WOS:000305279600004 PM 22465599 ER PT J AU Li, QM Wright, JB Chow, WW Luk, TS Brener, I Lester, LF Wang, GT AF Li, Qiming Wright, Jeremy B. Chow, Weng W. Luk, Ting Shan Brener, Igal Lester, Luke F. Wang, George T. TI Single-mode GaN nanowire lasers SO OPTICS EXPRESS LA English DT Article AB We demonstrate stable, single-frequency output from single, as-fabricated GaN nanowire lasers operating far above lasing threshold. Each laser is a linear, double-facet GaN nanowire functioning as gain medium and optical resonator, fabricated by a top-down technique that exploits a tunable dry etch plus anisotropic wet etch for precise control of the nanowire dimensions and high material gain. A single-mode linewidth of similar to 0.12 nm and >18dB side-mode suppression ratio are measured. Numerical simulations indicate that single-mode lasing arises from strong mode competition and narrow gain bandwidth. (c) 2012 Optical Society of America C1 [Li, Qiming; Wright, Jeremy B.; Chow, Weng W.; Luk, Ting Shan; Brener, Igal; Wang, George T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Wright, Jeremy B.; Lester, Luke F.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87111 USA. [Luk, Ting Shan; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nano Technol, Albuquerque, NM 87185 USA. RP Li, QM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gtwang@sandia.gov RI Wang, George/C-9401-2009; Wright, Jeremy/G-7149-2011; Brener, Igal/G-1070-2010 OI Wang, George/0000-0001-9007-0173; Wright, Jeremy/0000-0001-6861-930X; Brener, Igal/0000-0002-2139-5182 FU Sandia's Solid-State-Lighting Science Energy Frontier Research Center; U. S. Department of Energy, Office of Science, and Office of Basic Energy Sciences; Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000] FX This work was funded by Sandia's Solid-State-Lighting Science Energy Frontier Research Center, funded by the U. S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000). We thank Daniel Koleske for assistance with the GaN film growth. 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 19 TC 57 Z9 57 U1 5 U2 74 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD JUL 30 PY 2012 VL 20 IS 16 BP 17873 EP 17879 DI 10.1364/OE.20.017873 PG 7 WC Optics SC Optics GA 986PR UT WOS:000307356300057 PM 23038337 ER PT J AU Vine, DJ Pelliccia, D Holzner, C Baines, SB Berry, A McNulty, I Vogt, S Peele, AG Nugent, KA AF Vine, D. J. Pelliccia, D. Holzner, C. Baines, S. B. Berry, A. McNulty, I. Vogt, S. Peele, A. G. Nugent, K. A. TI Simultaneous X-ray fluorescence and ptychographic microscopy of Cyclotella meneghiniana SO OPTICS EXPRESS LA English DT Article ID PHASE-CONTRAST; SCANNING MICROSCOPY; MICROPROBE; RECONSTRUCTION; RESOLUTION; RETRIEVAL; ALGORITHM; MEDICINE; DETECTOR; ELEMENTS AB Scanning X-ray fluorescence microscopy (XFM) is a particularly useful method for studying the spatial distribution of trace metals in biological samples. Here we demonstrate the utility of combining coherent diffractive imaging (CDI) with XFM for imaging biological samples to simultaneously produce high-resolution and high-contrast transmission images and quantitative elemental maps. The reconstructed transmission function yields morphological details which contextualise the elemental maps. We report enhancement of the spatial resolution in both the transmission and fluorescence images beyond that of the X-ray optics. The freshwater diatom Cyclotella meneghiniana was imaged to demonstrate the benefits of combining these techniques that have complementary contrast mechanisms. (C) 2012 Optical Society of America C1 [Vine, D. J.; Nugent, K. A.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [Vine, D. J.; McNulty, I.; Vogt, S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Pelliccia, D.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. [Holzner, C.] Xradia Inc, Pleasanton, CA 94588 USA. [Baines, S. B.] SUNY Stony Brook, Dept Ecol & Evolut, Stony Brook, NY 11794 USA. [Berry, A.] Monash Univ, Monash Ctr Synchrotron Sci, Clayton, Vic 3800, Australia. [Peele, A. G.] La Trobe Univ, Dept Phys, Bundoora, Vic 3086, Australia. [Peele, A. G.; Nugent, K. A.] Australian Synchrotron, Clayton, Vic 3168, Australia. EM dvine@aps.anl.gov RI Nugent, Keith/J-2699-2012; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Nugent, Keith/I-4154-2016 OI Nugent, Keith/0000-0003-1522-8991; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Nugent, Keith/0000-0002-4281-3478 FU U.S. DOE [DE-AC02-06CH11357] FX 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. NR 34 TC 22 Z9 22 U1 1 U2 30 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD JUL 30 PY 2012 VL 20 IS 16 BP 18287 EP 18296 DI 10.1364/OE.20.018287 PG 10 WC Optics SC Optics GA 986PR UT WOS:000307356300098 PM 23038378 ER PT J AU Parvaz, MA Maloney, T Moeller, SJ Woicik, PA Alia-Klein, N Telang, F Wang, GJ Squires, NK Volkow, ND Goldstein, RZ AF Parvaz, Muhammad A. Maloney, Thomas Moeller, Scott J. Woicik, Patricia A. Alia-Klein, Nelly Telang, Frank Wang, Gene-Jack Squires, Nancy K. Volkow, Nora D. Goldstein, Rita Z. TI Sensitivity to monetary reward is most severely compromised in recently abstaining cocaine addicted individuals: A cross-sectional ERP study SO PSYCHIATRY RESEARCH-NEUROIMAGING LA English DT Article DE Abstinence; Cocaine addiction; Event-related potential (ERP); P300 ID EVENT-RELATED POTENTIALS; MEDIAL FRONTAL-CORTEX; BRAIN POTENTIALS; COGNITIVE CONTROL; HEROIN-ADDICTS; P300 AMPLITUDE; ALCOHOLISM; TASK; DEPENDENCE; ATTENTION AB Recent studies suggest that drug-addicted individuals have a dampened cortical response to non-drug rewards. However, it remains unclear whether recency of drug use impacts this impairment. Therefore, in this event-related potential study, recency of cocaine use was objectively determined by measuring cocaine in urine on study day. Thirty-five individuals with current cocaine use disorder [CUD: 21 testing positive (CUD+) and 14 testing negative (CUD) for cocaine in urine] and 23 healthy controls completed a sustained attention task with graded monetary incentives (0(sic), 1(sic) and 45(sic). Unlike in controls, in both CUD subgroups P300 amplitude was not modulated by the varying amounts of money and the CUD- showed the most severe impairment as documented by the lowest P300 amplitudes and task accuracy. Moreover, while recency of drug use was associated with better accuracy and higher P300 amplitudes, chronic drug use was associated with lower sensitivity to money. These results extend our previous findings of decreased sustained sensitivity to monetary reward in CUD+ to recently abstaining individuals, where level of impairment was most severe. Taken together, these results support the self-medication hypothesis, where CUD may be self-administering cocaine to avoid or compensate for underlying cognitive and emotional difficulties albeit with a long-term detrimental effect on sensitivity to non-drug reward. (C) 2012 Elsevier Ireland Ltd. All rights reserved. C1 [Parvaz, Muhammad A.; Maloney, Thomas; Moeller, Scott J.; Woicik, Patricia A.; Alia-Klein, Nelly; Wang, Gene-Jack; Goldstein, Rita Z.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Telang, Frank; Volkow, Nora D.] NIAAA, Rockville, MD 20857 USA. [Squires, Nancy K.] SUNY Stony Brook, Dept Psychol, Stony Brook, NY 11794 USA. [Volkow, Nora D.] NIDA, Bethesda, MD 20892 USA. RP Goldstein, RZ (reprint author), Brookhaven Natl Lab, Dept Med, 30 Bell Ave,Bldg 490, Upton, NY 11973 USA. EM rgoldstein@bnl.gov RI 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]; Brookhaven Science Associates, LLC [DE-AC02-98CHI-886]; U.S. Department of Energy FX This work was supported by a grant from the National Institute on Drug Abuse [1R01DA023579 to RZG].; This manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CHI-886 with the U.S. Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges, a world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States Government purposes. NR 78 TC 18 Z9 19 U1 5 U2 14 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0925-4927 J9 PSYCHIAT RES-NEUROIM JI Psychiatry Res. Neuroimaging PD JUL 30 PY 2012 VL 203 IS 1 BP 75 EP 82 DI 10.1016/j.pscychresns.2012.01.001 PG 8 WC Clinical Neurology; Neuroimaging; Psychiatry SC Neurosciences & Neurology; Psychiatry GA 020XC UT WOS:000309848900011 PM 22841343 ER PT J AU Carpenter, JS Misra, A Uchic, MD Anderson, PM AF Carpenter, J. S. Misra, A. Uchic, M. D. Anderson, P. M. TI Strain rate sensitivity and activation volume of Cu/Ni metallic multilayer thin films measured via micropillar compression SO APPLIED PHYSICS LETTERS LA English DT Article ID NANOLAYERED COMPOSITES; DEFORMATION MECHANISMS; NANOCRYSTALLINE; CU; NI; MICROSTRUCTURES; HARDNESS; TWINS; FCC AB Micropillar compression testing with repeated jumps in strain rate is used to circumvent inherent difficulties associated with nanoindentation and tensile testing of free-standing films. Application to sputtered 21 nm/21 nm Cu/Ni multilayer thin films with a cube-on-cube texture reveals an average strain rate sensitivity (m = 0.014) and activation volume (V = 17 b(3)), comparable to nanocrystalline face-centered cubic metals. Yet, m increases by similar to 50% and V decreases by 70% with increasing strain, opposite to trends reported for nanotwinned Cu. The large, strain-dependent shifts in m and V are dependent on the underlying misfit dislocation structure of Cu/Ni interfaces. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739521] C1 [Carpenter, J. S.] Los Alamos Natl Lab, MST Met 6, Los Alamos, NM 87544 USA. [Carpenter, J. S.; Misra, A.] Los Alamos Natl Lab, MPA CINT Ctr Integrated Nanotechnol, Los Alamos, NM 87544 USA. [Carpenter, J. S.; Anderson, P. M.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. [Uchic, M. D.] USAF, Mat & Mfg Directorate, Res Lab, Dayton, OH 45433 USA. RP Carpenter, JS (reprint author), Los Alamos Natl Lab, MST Met 6, POB 1663, Los Alamos, NM 87544 USA. RI Misra, Amit/H-1087-2012; Anderson, Peter/J-8315-2014; OI Carpenter, John/0000-0001-8821-043X FU National Science Foundation (Division of Materials Research) [DMR-0907024]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX The authors gratefully acknowledge Dr. N.A. Mara for useful discussion, J. Kevin Baldwin for the fabrication of the multilayer used in this study, and Dr. E. Andrew Payzant and the Center for Nanophase Materials Science (Oak Ridge National Laboratory) for XRD analysis. The authors also acknowledge the National Science Foundation (Division of Materials Research DMR-0907024, Eric Taleff, Program Officer) for financial support. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 26 TC 16 Z9 16 U1 2 U2 88 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 30 PY 2012 VL 101 IS 5 AR 051901 DI 10.1063/1.4739521 PG 4 WC Physics, Applied SC Physics GA 991BU UT WOS:000307676600024 ER PT J AU Dayeh, SA Liu, XH Dai, X Huang, JY Picraux, ST Soci, C AF Dayeh, Shadi A. Liu, Xiao Hue Dai, Xing Huang, Jian Yu Picraux, S. T. Soci, Cesare TI Rocking chair defect generation in nanowire growth SO APPLIED PHYSICS LETTERS LA English DT Article AB We report the observation of a different defect generation phenomenon in layer-by-layer crystal growth. Steps at a nanowire liquid-solid growth interface, resulting from edge nucleated defects, are found to cause a gradual multiplication of stacking faults in the regions bounded by two edge defects. In the presence of a twin boundary, these generated defects continue to propagate along the entire nanowire length. This rocking chair generation mechanism is a unique feature of nanoscale layer-by-layer growth and is significantly different from well-known defect multiplication mechanisms in bulk materials. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739948] C1 [Dayeh, Shadi A.; Picraux, S. T.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Liu, Xiao Hue; Huang, Jian Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Dai, Xing; Soci, Cesare] Nanyang Technol Univ, Div Phys & Appl Phys, Singapore, Singapore. RP Dayeh, SA (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. RI Dayeh, Shadi/H-5621-2012; Soci, Cesare/A-8355-2008; Liu, Xiaohua/A-8752-2011 OI Soci, Cesare/0000-0002-0149-9128; Liu, Xiaohua/0000-0002-7300-7145 FU lab directed research and development (LDRD) at LANL; NTU NAP [M58110065]; NTU [M58110092]; U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000] FX S.A.D. acknowledges insightful discussions with Professor Lincoln J. Lauhon of Northwestern University that led to initiation of the present study, Professor Michael J. Demkowicz of Massachusetts Institute of Technology, and Dr. Amit Misra of Los Alamos National Laboratory. This work is funded by lab directed research and development (LDRD) program at LANL, and by the NTU NAP startup grant M58110065, and the Funding of Initiatives in Support of NTU 2015 (M58110092). Part of this research was conducted at the Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396), and Sandia National Laboratories (Contract No. DE-AC04-94AL85000). NR 11 TC 4 Z9 4 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 30 PY 2012 VL 101 IS 5 AR 053121 DI 10.1063/1.4739948 PG 3 WC Physics, Applied SC Physics GA 991BU UT WOS:000307676600077 ER PT J AU Ihlefeld, JF Shelton, CT AF Ihlefeld, Jon F. Shelton, Christopher T. TI Chemical homogeneity effects on the nonlinear dielectric response of lead zirconate titanate thin films SO APPLIED PHYSICS LETTERS LA English DT Article ID PIEZOELECTRIC CERAMICS; PERMITTIVITY AB Rayleigh analysis has been used to investigate dielectric nonlinearity in polycrystalline lead zirconate titanate thin films that possess a chemically homogeneous B-site and those with titanium/zirconium gradients through the film thickness. Chemically homogeneous films possess greater irreversible and reversible contributions and greater ratios of irreversible to reversible contributions to dielectric nonlinearity than chemically heterogeneous films. These measurements demonstrate that the ferroelectric performance improvements observed in chemically homogeneous Pb(Zr,Ti)O-3 thin films, with compositions near the morphotropic phase boundary, are associated with enhanced extrinsic contributions owing to improved domain wall mobility. 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4742171] C1 [Ihlefeld, Jon F.; Shelton, Christopher T.] Sandia Natl Labs, Elect & Nanostruct Mat Dept, Albuquerque, NM 87185 USA. RP Ihlefeld, JF (reprint author), Sandia Natl Labs, Elect & Nanostruct Mat Dept, POB 5800, Albuquerque, NM 87185 USA. EM jihlefe@sandia.gov RI Ihlefeld, Jon/B-3117-2009 FU National Institute of Nano Engineering; Laboratory Directed Research and Development Program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors gratefully acknowledge the electron microscopy and composition quantification work of Dr. Paul G. Kotula and Dr. Geoff L. Brennecka for his critical review of this manuscript. This work was supported, in part, by the National Institute of Nano Engineering and the Laboratory Directed Research and Development Program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 26 TC 5 Z9 5 U1 2 U2 41 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 30 PY 2012 VL 101 IS 5 AR 052902 DI 10.1063/1.4742171 PG 4 WC Physics, Applied SC Physics GA 991BU UT WOS:000307676600055 ER PT J AU Ingram, BJ Eastman, JA Chang, KC Kim, SK Fister, TT Perret, E You, H Baldo, PM Fuoss, PH AF Ingram, B. J. Eastman, J. A. Chang, K. -C. Kim, S. K. Fister, T. T. Perret, E. You, H. Baldo, P. M. Fuoss, P. H. TI In situ x-ray studies of oxygen surface exchange behavior in thin film La0.6Sr0.4Co0.2Fe0.8O3-delta SO APPLIED PHYSICS LETTERS LA English DT Article ID COBALT IRON-OXIDE; CATHODE MATERIALS; CHARGE-TRANSPORT; ELECTRODES; CELLS; KINETICS; SYSTEMS; CONDUCTIVITY; MODEL; MASS AB In situ synchrotron x-ray techniques were used to investigate oxygen surface exchange behavior in thin film La0.6Sr0.4Co0.2Fe0.8O3-delta (LSCF)/Gd2O3-doped CeO2/Y2O3-stabilized ZrO2 heterostructures. Applying electrical potentials across the heterostructures results in significant expansion or contraction of the out-of-plane LSCF lattice parameter, indicating changes in the LSCF oxygen vacancy concentration. Oxygen transport across the LSCF/atmosphere interface is found to be rate limiting under both cathodic and anodic conditions. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739518] C1 [Ingram, B. J.; Fister, T. T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Eastman, J. A.; Chang, K. -C.; Kim, S. K.; Perret, E.; You, H.; Baldo, P. M.; Fuoss, P. H.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Ingram, BJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ingram@anl.gov RI Eastman, Jeffrey/E-4380-2011; Chang, Kee-Chul/O-9938-2014; You, Hoydoo/A-6201-2011; Kim, Seong Keun/D-3809-2011 OI Chang, Kee-Chul/0000-0003-1775-2148; You, Hoydoo/0000-0003-2996-9483; Kim, Seong Keun/0000-0001-8712-7167 FU U.S. Department of Energy (DOE); DOE Office of Basic Energy Sciences (BES), Materials Science and Engineering Division; DOE Office of Fossil Energy, Solid State Energy Conversion Alliance (SECA); Center for Electrical Energy Storage, DOE Energy Frontier Research Center FX This work, including use of the Advanced Photon Source (APS), was supported by the U.S. Department of Energy (DOE). J.A.E., S.K.K., P.M.B., and P.H.F. were supported by the DOE Office of Basic Energy Sciences (BES), Materials Science and Engineering Division, B.J.I., E.P., K.-C.C., and H.Y. by the DOE Office of Fossil Energy, Solid State Energy Conversion Alliance (SECA), and T.T.F. by the Center for Electrical Energy Storage, a DOE Energy Frontier Research Center. We thank the SECA program, and in particular L. Yan and P.A. Salvador of Carnegie Mellon University, for providing the samples used in this study. NR 34 TC 10 Z9 10 U1 1 U2 53 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 30 PY 2012 VL 101 IS 5 AR 051603 DI 10.1063/1.4739518 PG 5 WC Physics, Applied SC Physics GA 991BU UT WOS:000307676600020 ER PT J AU Mandal, KC Muzykov, PG Terry, JR AF Mandal, Krishna C. Muzykov, Peter G. Terry, J. Russell TI Highly sensitive x-ray detectors in the low-energy range on n-type 4H-SiC epitaxial layers SO APPLIED PHYSICS LETTERS LA English DT Article ID SILICON-CARBIDE AB Schottky diodes on n-type 4H-SiC epitaxial layers have been fabricated for low-energy x-ray detection. The detectors were highly sensitive to soft x-rays and showed improved response compared to the commercial SiC UV photodiodes. Current-voltage characteristics at 475 K showed low leakage current revealing the possibility of high temperature operation. The high quality of the epi-layer was confirmed by x-ray diffraction and chemical etching. Thermally stimulated current measurements performed at 94-550 K revealed low density of deep levels which may cause charge trapping. No charge trapping on detectors' responsivity in the low x-ray energy was found. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4742741] C1 [Mandal, Krishna C.; Muzykov, Peter G.] Univ S Carolina, Dept Elect Engn, Columbia, SC 29208 USA. [Terry, J. Russell] Los Alamos Natl Lab, Intelligence & Space Res Div, Space Sci & Applicat Grp ISR I, Los Alamos, NM 87545 USA. RP Mandal, KC (reprint author), Univ S Carolina, Dept Elect Engn, Columbia, SC 29208 USA. EM mandalk@cec.sc.edu FU Los Alamos National Laboratory/DOE [143479] FX K. C. Mandal acknowledges partial financial support provided by Los Alamos National Laboratory/DOE (Grant No. 143479). Authors are thankful to Professor T. S. Sudarshan for providing some of the electrical characterization facilities. NR 12 TC 10 Z9 10 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 30 PY 2012 VL 101 IS 5 AR 051111 DI 10.1063/1.4742741 PG 4 WC Physics, Applied SC Physics GA 991BU UT WOS:000307676600011 ER PT J AU Mishler, J Wang, Y Mukundan, R Spendelow, J Hussey, DS Jacobson, DL Borup, RL AF Mishler, Jeffrey Wang, Yun Mukundan, Rangachary Spendelow, Jacob Hussey, Daniel S. Jacobson, David L. Borup, Rodney L. TI Probing the water content in polymer electrolyte fuel cells using neutron radiography SO ELECTROCHIMICA ACTA LA English DT Article DE Polymer electrolyte fuel cell; Neutron imaging; PTFE loading; Channel configuration; Water profile ID GAS-DIFFUSION LAYER; 2-PHASE FLOW PHENOMENA; LIQUID WATER; IMPEDANCE SPECTROSCOPY; IMAGING TECHNIQUE; POROUS-MEDIA; LAND AREAS; TRANSPORT; CATHODE; PEMFC AB This work presents an in situ study on the water-content measurement in polymer electrolyte fuel cells (PEFCs) using neutron imaging. The effects of several important operating and design parameters on water content are examined, including the relative humidity (RH), the polytetraflouroethylene (PTFE) loadings in gas diffusion media including the microporous layer (MPL), current density, and flow field configurations including single-/quad-serpentine channels and co-/counter-flow configurations. Efforts are also made to distinguish water contents between the channel and land projected areas, and obtain the water profile along the gas flow path. We find that the highest water content occurs at a low current density for fixed operational stoichiometry, and liquid water emerges downstream at low humidity and increases rapidly after on-set. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Mishler, Jeffrey; Wang, Yun] Univ Calif Irvine, Dept Mech & Aerosp Engn, Renewable Energy Resources Lab, Irvine, CA 92697 USA. [Mukundan, Rangachary; Spendelow, Jacob; Borup, Rodney L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Hussey, Daniel S.; Jacobson, David L.] NIST, Phys Measurement Lab, Gaithersburg, MD 20899 USA. RP Wang, Y (reprint author), Univ Calif Irvine, Dept Mech & Aerosp Engn, Renewable Energy Resources Lab, Irvine, CA 92697 USA. EM yunw@uci.edu RI Lujan Center, LANL/G-4896-2012; OI Mukundan, Rangachary/0000-0002-5679-3930 FU U.S. Department of Energy (DOE) Fuel Cell Technologies; U.S. Department of Commerce; NIST Ionizing Radiation Division; Director's Office of NIST; NIST Center for Neutron Research; Department of Energy [DE-AI01-01EE50660]; Academic Senate Council on Research, Computing and Library Resources at UCI FX This work was supported by the U.S. Department of Energy (DOE) Fuel Cell Technologies (Technology Development Manager: Nancy Garland). This work was also supported by the U.S. Department of Commerce, the NIST Ionizing Radiation Division, the Director's Office of NIST, the NIST Center for Neutron Research, and the Department of Energy through interagency agreement no. DE-AI01-01EE50660. We wish to thank Dr. John Davey of LANL for designing the hardware used in the neutron imaging experiments and Eli Baltic of NIST for help with NIST facility. We would like to acknowledge Peter Wilde of SGL Group for providing the GDL materials. Partial support by the Academic Senate Council on Research, Computing and Library Resources at UCI is gratefully acknowledged. NR 57 TC 7 Z9 7 U1 1 U2 24 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JUL 30 PY 2012 VL 75 BP 1 EP 10 DI 10.1016/j.electacta.2012.04.040 PG 10 WC Electrochemistry SC Electrochemistry GA 980HL UT WOS:000306884100001 ER PT J AU Cho, K Tanatar, MA Spyrison, N Kim, H Song, Y Dai, PC Zhang, CL Prozorov, R AF Cho, K. Tanatar, M. A. Spyrison, N. Kim, H. Song, Y. Dai, Pengcheng Zhang, C. L. Prozorov, R. TI Doping-dependent anisotropic superconducting gap in Na1-delta(Fe1-xCox)As from London penetration depth SO PHYSICAL REVIEW B LA English DT Article ID PRESSURE; LIFEAS; NAFEAS AB The London penetration depth was measured in single crystals of self-doped Na1-delta FeAs (from under doping to optimal doping, T-c from 14 to 27 K) and electron-doped Na(Fe1-xCox)As with x ranging from undoped, x = 0, to overdoped, x = 0.1. In all samples, the low-temperature variation of the penetration depth exhibits a power-law dependence, Delta lambda(T) = AT(n), with the exponent that varies in a domelike fashion from n similar to 1.1 in the underdoped, reaching a maximum of n similar to 1.9 in the optimally doped, and decreasing again to n similar to 1.3 on the overdoped side. While the anisotropy of the gap structure follows a universal domelike evolution, the exponent at optimal doping, n similar to 1.9, is lower than in other charge-doped Fe-based superconductors (FeSCs). The full-temperature range superfluid density, rho(s)(T) = [lambda(0)/lambda(T)](2), at optimal doping is also distinctly different from other charge-doped FeSCs but is similar to isovalently substituted BaFe2(As1-x P-x)(2), believed to be a nodal pnictide at optimal doping. These results suggest that the superconducting gap in Na(Fe1-xCox) As is highly anisotropic even at optimal doping. C1 [Cho, K.; Tanatar, M. A.; Spyrison, N.; Kim, H.; Prozorov, R.] Ames Lab, Ames, IA 50011 USA. [Cho, K.; Tanatar, M. A.; Spyrison, N.; Kim, H.; Prozorov, R.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Song, Y.; Dai, Pengcheng; Zhang, C. L.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Prozorov, R (reprint author), Ames Lab, Ames, IA 50011 USA. EM prozorov@ameslab.gov RI Prozorov, Ruslan/A-2487-2008; Dai, Pengcheng /C-9171-2012; OI Prozorov, Ruslan/0000-0002-8088-6096; Dai, Pengcheng /0000-0002-6088-3170; Song, Yu/0000-0002-3460-393X FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; U.S. DOE BES [DE-FG02-05ER46202] FX We thank A. Chubukov, P. Hirschfeld, R. Thomale, A. Kaminski, Hai-Hu Wen, X. H. Chen, and Shi-Yan Li for useful discussions. We especially thank X. H. Chen and X. G. Luo for supplying the crystals for a cross-examination study. Work at the Ames Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-07CH11358. The single crystal growth at University of Tennessee was supported by U.S. DOE BES under Grant No. DE-FG02-05ER46202 (P.D.). NR 46 TC 12 Z9 12 U1 2 U2 33 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 30 PY 2012 VL 86 IS 2 AR 020508 DI 10.1103/PhysRevB.86.020508 PG 5 WC Physics, Condensed Matter SC Physics GA 980VX UT WOS:000306923400004 ER PT J AU Witzel, WM Carroll, MS Cywinski, L Das Sarma, S AF Witzel, Wayne M. Carroll, Malcolm S. Cywinski, Lukasz Das Sarma, S. TI Quantum decoherence of the central spin in a sparse system of dipolar coupled spins SO PHYSICAL REVIEW B LA English DT Article ID ELECTRON-SPIN; SPECTRAL DIFFUSION; COHERENT DYNAMICS; SILICON; DIAMOND; DOT; QUBITS; BATH; BLOCKADE; DECAY AB The central spin decoherence problem has been researched for over 50 years in the context of both nuclear magnetic resonance and electron spin resonance. Until recently, theoretical models have employed phenomenological stochastic descriptions of the bath-induced noise. During the last few years, cluster expansion methods have provided a microscopic, quantum theory to study the spectral diffusion of a central spin. These methods have proven to be very accurate and efficient for problems of nuclear-induced electron spin decoherence in which hyperfine interactions with the central electron spin are much stronger than dipolar interactions among the nuclei. We provide an in-depth study of central spin decoherence for a canonical scale-invariant all-dipolar spin system. We show how cluster methods may be adapted to treat this problem in which central and bath spin interactions are of comparable strength. Our extensive numerical work shows that a properly modified cluster theory is convergent for this problem even as simple perturbative arguments begin to break down. By treating clusters in the presence of energy detunings due to the long-range (diagonal) dipolar interactions of the surrounding environment and carefully averaging the effects over different spin states, we find that the nontrivial flip-flop dynamics among the spins becomes effectively localized by disorder in the energy splittings of the spins. This localization effect allows for a robust calculation of the spin echo signal in a dipolarly coupled bath of spins of the same kind, while considering clusters of no more than six spins. We connect these microscopic calculation results to the existing stochastic models. We, furthermore, present calculations for a series of related problems of interest for candidate solid state quantum bits including donors and quantum dots in silicon as well as nitrogen-vacancy centers in diamond. C1 [Witzel, Wayne M.; Carroll, Malcolm S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Cywinski, Lukasz] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. [Das Sarma, S.] Univ Maryland, Dept Phys, Condensed Matter Theory Ctr, College Pk, MD 20742 USA. RP Witzel, WM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wwitzel@sandia.gov RI Cywinski, Lukasz/E-5348-2010; Das Sarma, Sankar/B-2400-2009 OI Cywinski, Lukasz/0000-0002-0162-7943; Das Sarma, Sankar/0000-0002-0439-986X FU Homing Programme of the Foundation for Polish Science; US Department of Energy's National Nu-clear Security Administration [DE-AC04-94AL85000]; LPS-NSA-CMTC; EEA Financial Mechanism FX We acknowledgeViatcheslavDobrovitski, Andrea Morello, Alexei Tyryshkin, Steve Lyon, Kevin Young, Rajib Rahman, Erik Nielsen, and Richard Muller for valuable discussions and insights. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nu-clear Security Administration under contract DE-AC04-94AL85000. S.D.-S. and L.C. acknowledge an LPS-NSA-CMTC grant; L.C. acknowledges funding from the Homing Programme of the Foundation for Polish Science supported by the EEA Financial Mechanism. NR 82 TC 29 Z9 29 U1 1 U2 35 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 30 PY 2012 VL 86 IS 3 AR 035452 DI 10.1103/PhysRevB.86.035452 PG 27 WC Physics, Condensed Matter SC Physics GA 980WI UT WOS:000306924500011 ER PT J AU Zhou, Y Callendret, B Xu, D Brasky, KM Feng, ZD Hensley, LL Guedj, J Perelson, AS Lemon, SM Lanford, RE Walker, CM AF Zhou, Yan Callendret, Benoit Xu, Dan Brasky, Kathleen M. Feng, Zongdi Hensley, Lucinda L. Guedj, Jeremie Perelson, Alan S. Lemon, Stanley M. Lanford, Robert E. Walker, Christopher M. TI Dominance of the CD4(+) T helper cell response during acute resolving hepatitis A virus infection SO JOURNAL OF EXPERIMENTAL MEDICINE LA English DT Article ID ADAPTIVE IMMUNE-RESPONSES; C VIRUS; CLONAL EXPANSION; VIRAL-INFECTIONS; MEMORY FORMATION; CUTTING EDGE; T(H)1 CELLS; CD8(+); INNATE; PERSISTENCE AB Hepatitis A virus (HAV) infection typically resolves within 4-7 wk but symptomatic relapse occurs in up to 20% of cases. Immune mechanisms that terminate acute HAV infection, and prevent a relapse of virus replication and liver disease, are unknown. Here, patterns of T cell immunity, virus replication, and hepatocellular injury were studied in two HAV-infected chimpanzees. HAV-specific CD8(+) T cells were either not detected in the blood or failed to display effector function until after viremia and hepatitis began to subside. The function of CD8(+) T cells improved slowly as the cells acquired a memory phenotype but was largely restricted to production of IFN-gamma. In contrast, CD4(+) T cells produced multiple cytokines when viremia first declined. Moreover, only CD4(+) T cells responded during a transient resurgence of fecal HAV shedding. This helper response then contracted slowly over several months as HAV genomes were eliminated from liver. The findings indicate a dominant role for CD4(+) T cells in the termination of HAV infection and, possibly, surveillance of an intrahepatic reservoir of HAV genomes that decays slowly. Rapid contraction or failure to sustain such a CD4(+) T cell response after resolution of symptoms could increase the risk of relapsing hepatitis A. C1 [Zhou, Yan; Callendret, Benoit; Xu, Dan; Walker, Christopher M.] Nationwide Childrens Hosp, Res Inst, Ctr Vaccines & Immun, Columbus, OH 43205 USA. [Brasky, Kathleen M.; Lanford, Robert E.] Texas Biomed Res Inst, SW Natl Primate Res Ctr, San Antonio, TX 78227 USA. [Feng, Zongdi; Hensley, Lucinda L.; Lemon, Stanley M.] Univ N Carolina, Sch Med, Div Infect Dis, Chapel Hill, NC 27599 USA. [Feng, Zongdi; Hensley, Lucinda L.; Lemon, Stanley M.] Univ N Carolina, Sch Med, Dept Med, Chapel Hill, NC 27599 USA. [Feng, Zongdi; Hensley, Lucinda L.; Lemon, Stanley M.] Univ N Carolina, Sch Med, Dept Microbiol & Immunol, Chapel Hill, NC 27599 USA. [Feng, Zongdi; Hensley, Lucinda L.; Lemon, Stanley M.] Univ N Carolina, Sch Med, Ctr Translat Immunol, Chapel Hill, NC 27599 USA. [Feng, Zongdi; Hensley, Lucinda L.; Lemon, Stanley M.] Univ N Carolina, Lineberger Comprehens Canc Ctr, Chapel Hill, NC 27599 USA. [Guedj, Jeremie; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Guedj, Jeremie] Univ Paris 07, INSERM, F-75018 Paris, France. [Guedj, Jeremie] Univ Paris Diderot, F-75018 Paris, France. [Lanford, Robert E.] Texas Biomed Res Inst, Dept Virol & Immunol, San Antonio, TX 78227 USA. [Walker, Christopher M.] Ohio State Univ, Coll Med, Dept Pediat, Columbus, OH 43210 USA. RP Walker, CM (reprint author), Nationwide Childrens Hosp, Res Inst, Ctr Vaccines & Immun, Columbus, OH 43205 USA. EM christopher.walker@nationwidechildrens.org RI Guedj, Jeremie/A-6842-2017 OI Guedj, Jeremie/0000-0002-5534-5482 FU Public Health Service [R37-AI028433]; National Institutes of Health (NIH) [U19 AI40035, OD011095, P51 RR13986]; NIH (Office of Research Infrastructure Programs/OD) [P51 OD011133]; Research Facilities Improvement Program [C06 RR12087, C06RR16228] FX This work was supported by Public Health Service grants R37-AI028433 (to C.M. Walker). This work was also supported in part by grants from the National Institutes of Health (NIH) U19 AI40035 (to RE. Lanford) and OD011095 (to A.S. Perelson). Animals were studied at the Southwest National Primate Research Center, which is supported by an NIH primate center base grant (formerly National Center for Research Resources grant P51 RR13986; current Office of Research Infrastructure Programs/OD grant P51 OD011133) and by Research Facilities Improvement Program Grant Number C06 RR12087 and C06RR16228. MHC class I tetramers were obtained through the NIH Tetramer Facility. NR 55 TC 30 Z9 31 U1 0 U2 4 PU ROCKEFELLER UNIV PRESS PI NEW YORK PA 1114 FIRST AVE, 4TH FL, NEW YORK, NY 10021 USA SN 0022-1007 J9 J EXP MED JI J. Exp. Med. PD JUL 30 PY 2012 VL 209 IS 8 BP 1481 EP 1492 DI 10.1084/jem.20111906 PG 12 WC Immunology; Medicine, Research & Experimental SC Immunology; Research & Experimental Medicine GA 982BK UT WOS:000307016500011 PM 22753925 ER PT J AU Matveev, KA Andreev, AV AF Matveev, K. A. Andreev, A. V. TI Scattering of hole excitations in a one-dimensional spinless quantum liquid SO PHYSICAL REVIEW B LA English DT Article ID NANOTUBES; FLUIDS; GAS AB Luttinger liquid theory accounts for the low-energy boson excitations of one-dimensional quantum liquids, but disregards the high-energy excitations. The most important high-energy excitations are holes, which have infinite lifetime at zero temperature. At finite temperatures, they can be scattered by thermally excited bosons. We describe the interaction of a hole with the bosons by treating it as a mobile impurity in a Luttinger liquid. This approach enables us to evaluate the scattering probability at arbitrary interaction strength. In general, the result is expressed in terms of the hole spectrum, its dependence on the density and momentum of the fluid, and the parameters of the Luttinger liquid Hamiltonian. In the special case of Galilean invariant systems, the scattering probability is expressed in terms of only the hole spectrum and its dependence on the fluid density. We apply our results to the problem of equilibration of one-dimensional quantum liquids. C1 [Matveev, K. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Andreev, A. V.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Matveev, KA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. FU US Department of Energy [DE-AC02-06CH11357, DE-FG02-07ER46452] FX The authors are grateful to A. Kamenev for discussions. This work was supported by the US Department of Energy under Contracts Nos. DE-AC02-06CH11357 and DE-FG02-07ER46452. NR 35 TC 13 Z9 14 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 30 PY 2012 VL 86 IS 4 AR 045136 DI 10.1103/PhysRevB.86.045136 PG 11 WC Physics, Condensed Matter SC Physics GA 980XQ UT WOS:000306927900008 ER PT J AU Chipps, KA Bardayan, DW Chae, KY Cizewski, JA Kozub, RL Matei, C Moazen, BH Nesaraja, CD O'Malley, PD Pain, SD Peters, WA Pittman, ST Schmitt, KT Smith, MS AF Chipps, K. A. Bardayan, D. W. Chae, K. Y. Cizewski, J. A. Kozub, R. L. Matei, C. Moazen, B. H. Nesaraja, C. D. O'Malley, P. D. Pain, S. D. Peters, W. A. Pittman, S. T. Schmitt, K. T. Smith, M. S. TI Si-28(p, He-3) reaction for spectroscopy of Al-26 SO PHYSICAL REVIEW C LA English DT Article ID NUCLEAR; ENERGY; MG-25(P,GAMMA)AL-26; RESONANCES AB The Si-28(p, (3) He)Al-26 reaction was utilized for the first time to study the levels in Al-26, using a proton beam from the Holifield Radioactive Ion Beam Facility. Five previously unreported states in Al-26 are observed and discussed, including Distorted Wave Born Approximation analysis. Proton-decay branching ratios consistent with previous studies and theoretical expectations were found by detecting decay protons from highly excited Al-26 states in coincidence with the He-3 particles. C1 [Chipps, K. A.; Cizewski, J. A.; O'Malley, P. D.; Peters, W. A.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Chipps, K. A.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Bardayan, D. W.; Nesaraja, C. D.; Pain, S. D.; Smith, M. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Chae, K. Y.; Moazen, B. H.; Pittman, S. T.; Schmitt, K. T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Kozub, R. L.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. [Matei, C.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Chipps, KA (reprint author), Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RI Peters, William/B-3214-2012; Pain, Steven/E-1188-2011; Matei, Catalin/B-2586-2008; OI Peters, William/0000-0002-3022-4924; Pain, Steven/0000-0003-3081-688X; Matei, Catalin/0000-0002-2254-3853; Nesaraja, Caroline/0000-0001-5571-8341; Chipps, Kelly/0000-0003-3050-1298 FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725]; National Nuclear Security Administration under Stewardship Science Academic Alliance through U. S. DOE [DE-FG52-08NA28552]; Rutgers University; Oak Ridge Associated Universities; U.S. DOE [DE-FG02-96ER40955, DE-FG02-96ER40983]; Tennessee Technological University; National Science Foundation; University of Tennessee Knoxville FX We would like to thank the staff of the Holifield Radioactive Ion Beam Facility (HRIBF), and are deeply saddened by its closure. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC05-00OR22725. This research was supported in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through U. S. DOE Cooperative Agreement No. DE-FG52-08NA28552 with Rutgers University and Oak Ridge Associated Universities. This work was also supported in part by the U.S. DOE under Contracts No. DE-FG02-96ER40955 with Tennessee Technological University and No. DE-FG02-96ER40983 with the University of Tennessee Knoxville and by the National Science Foundation. NR 33 TC 8 Z9 8 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD JUL 30 PY 2012 VL 86 IS 1 AR 014329 DI 10.1103/PhysRevC.86.014329 PG 7 WC Physics, Nuclear SC Physics GA 980YA UT WOS:000306928900002 ER PT J AU Golan, T Juszczak, C Sobczyk, JT AF Golan, Tomasz Juszczak, Cezary Sobczyk, Jan T. TI Effects of final-state interactions in neutrino-nucleus interactions SO PHYSICAL REVIEW C LA English DT Article ID CHARGED-CURRENT INTERACTIONS; PION-PRODUCTION; CROSS-SECTIONS; SPECTRAL-FUNCTION; HADRON-NUCLEUS; FORMATION ZONE; SCATTERING; REGION; ENERGY; TRANSPARENCY AB Final-state interaction (FSI) effects are discussed in the context of Monte Carlo simulations of neutrino-nucleus interactions. A role of formation time is explained and several models describing this effect are compared. Various observables which are sensitive to FSI effects are reviewed including pion-nucleus interaction and hadron yields in backward hemisphere. NuWro Monte Carlo neutrino event generator is described and its ability to understand neutral current pi(0) production data in similar to 1 GeV neutrino flux experiments is demonstrated. C1 [Golan, Tomasz; Juszczak, Cezary] Univ Wroclaw, Inst Theoret Phys, PL-50204 Wroclaw, Poland. [Sobczyk, Jan T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Golan, T (reprint author), Univ Wroclaw, Inst Theoret Phys, Plac Maxa Borna 9, PL-50204 Wroclaw, Poland. EM tgolan@ift.uni.wroc.pl RI Sobczyk, Jan/C-9761-2016 FU [N N202 368439]; [2011/01/M/ST2/02578] FX The authors were partially supported by the Grants No. N N202 368439 and No. 2011/01/M/ST2/02578. NR 74 TC 47 Z9 47 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD JUL 30 PY 2012 VL 86 IS 1 AR 015505 DI 10.1103/PhysRevC.86.015505 PG 13 WC Physics, Nuclear SC Physics GA 980YA UT WOS:000306928900004 ER PT J AU Douguet, N Rescigno, TN Orel, AE AF Douguet, N. Rescigno, T. N. Orel, A. E. TI Time-resolved molecular-frame photoelectron angular distributions: Snapshots of acetylene-vinylidene cationic isomerization SO PHYSICAL REVIEW A LA English DT Article ID ELECTRON; DYNAMICS; STATES; ION AB We report the results of ab initio calculations on valence photoionization of the acetylene monocation in its ground (X) and electronically excited (A) states using the complex Kohn variational method. In contrast to the K-shell molecular frame photoelectron angular distributions (MFPADs), which are only sensitive to the molecular geometry, these results show that the valence MFPADs are also sensitive to the electronic state of the target. Hence, the isomerization path from acetylene to vinylidene, which is mediated by a conical intersection responsible for a change in electronic state of the monocation, could, in principle, be traced through valence photoionization. C1 [Douguet, N.; Orel, A. E.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Rescigno, T. N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem Sci & Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. RP Douguet, N (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. FU US Department of Energy by LBNL [DE-AC02-05CH11231]; US Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences FX This work was performed under the auspices of the US Department of Energy by LBNL under Contract No. DE-AC02-05CH11231 and was supported by the US Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences. NR 19 TC 6 Z9 6 U1 0 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD JUL 30 PY 2012 VL 86 IS 1 AR 013425 DI 10.1103/PhysRevA.86.013425 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 980VH UT WOS:000306921800011 ER PT J AU Reuter, MG Ratner, MA Seideman, T AF Reuter, Matthew G. Ratner, Mark A. Seideman, Tamar TI Laser alignment as a route to ultrafast control of electron transport through junctions SO PHYSICAL REVIEW A LA English DT Article ID MOLECULAR ALIGNMENT; SCHRODINGER-EQUATION; SPECTRAL METHOD; ALIGNING MOLECULES; OPTICAL-PROPERTIES; DYNAMICS; PULSES; ORIENTATION; ALGORITHMS; GENERATION AB We consider the extension of ultrafast laser alignment schemes to surface-adsorbed molecules, where the laser field coerces the molecule to reorient itself relative to the surface. When probed by a scanning tunneling microscope tip, this reorientation modifies the tip-molecule distance, and thus the tunneling current, suggesting a route to an ultrafast, nanoscale current switch. In addition to exploring the controllability of adsorbed molecules by moderately intense laser fields and discussing the fundamental differences of alignment behavior between surface-adsorbed molecules and gas phase molecules, we computationally investigate the quality of orientation with respect to field intensity, field duration, and the location of the tip. Overall, the molecule moves directly to its oriented configuration, which is reasonably insensitive to the tip location. These results collectively suggest the efficacy of using laser alignment schemes to control electron transport through junctions. C1 [Reuter, Matthew G.; Ratner, Mark A.; Seideman, Tamar] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Reuter, Matthew G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Reuter, Matthew G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Reuter, MG (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM t-seideman@northwestern.edu FU Department of Energy [DE-FG02-04ER15612, DE-SC0001785, DE-FG02-97ER25308, DE-AC05-00OR22725]; National Science Foundation [CHE-1012207/001]; Oak Ridge Ridge National Laboratory FX We are grateful to Maxim Sukharev and Robert Harrison for helpful conversations and to the Department of Energy (Grants No. DE-FG02-04ER15612 and No. DE-SC0001785) and the National Science Foundation (Grant No. CHE-1012207/001) for support. M.G.R. acknowledges support from the Department of Energy Computational Science Graduate Fellowship (Grant No. DE-FG02-97ER25308) while at Northwestern University and from the Eugene P. Wigner Fellowship at the Oak Ridge Ridge National Laboratory, which is managed by UT-Battelle, LLC, for the Department of Energy under Contract No. DE-AC05-00OR22725. Some of the numerical work reported here employed resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory. NR 81 TC 9 Z9 9 U1 3 U2 30 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9926 EI 2469-9934 J9 PHYS REV A JI Phys. Rev. A PD JUL 30 PY 2012 VL 86 IS 1 AR 013426 DI 10.1103/PhysRevA.86.013426 PG 9 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 980VH UT WOS:000306921800012 ER PT J AU Zheng, H Liu, Y Mao, SX Wang, JB Huang, JY AF Zheng, He Liu, Yang Mao, Scott X. Wang, Jianbo Huang, Jian Yu TI Beam-assisted large elongation of in situ formed Li2O nanowires SO SCIENTIFIC REPORTS LA English DT Article ID ELECTRON-BEAM; RADIATION-DAMAGE; LITHIUM-OXIDE; IRRADIATION; PLASTICITY; LITHIATION; BLANKETS; SILICON; STORAGE AB As an important component of the solid electrolyte interface in lithium ion batteries and an effective blanket breeding material in fusion reactor, the mechanical property of Li2O is of great interest but is not well understood. Here we show that the polycrystalline Li2O nanowires were formed in situ by touching and pulling lithium hydroxide under electron beam (e-beam) illumination. The Li2O nanowires sustained an enhanced elongation (from 80% to 176%) under low dose e-beam irradiation near room temperature as compared with that (from 51% to 57%) without e-beam irradiation. The extremely high deformability could be understood by the fast Li2O diffusion under e-beam irradiation and tensile stress condition. The large elongation without e-beam irradiation implies that nano-structured Li2O is ductile near room temperature. C1 [Zheng, He; Wang, Jianbo] Wuhan Univ, Sch Phys & Technol, Ctr Electron Microscopy, Wuhan 430072, Peoples R China. [Zheng, He; Wang, Jianbo] Wuhan Univ, MOE Key Lab Artificial Micro & Nanostruct, Wuhan 430072, Peoples R China. [Liu, Yang; Huang, Jian Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Zheng, He; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. RP Wang, JB (reprint author), Wuhan Univ, Sch Phys & Technol, Ctr Electron Microscopy, Wuhan 430072, Peoples R China. EM wang@whu.edu.cn; jyhuang8@yahoo.com RI Zheng, He/E-2964-2012; Liu, Yang/C-9576-2012; Wang, Jianbo/D-9991-2011 OI Zheng, He/0000-0002-6476-8524; Wang, Jianbo/0000-0002-3315-3105 FU 973 Program [2011CB933300]; National Natural Science Foundation of China [51071110, 40972044, J0830310]; China MOE NCET Program [NCET-07-0640]; MOE Doctoral Fund [20090141110059]; Fundamental Research Funds for the Central Universities; NSF [CMMI 08 010934]; U. S. Department of Energy [DE-AC04-94AL85000]; Chinese Scholarship Council FX J.W. would like to thank the financial support from 973 Program (2011CB933300), National Natural Science Foundation of China (51071110, 40972044, J0830310), China MOE NCET Program (NCET-07-0640), MOE Doctoral Fund (20090141110059), and the Fundamental Research Funds for the Central Universities. S. M. would like to acknowledge NSF CMMI 08 010934 through University of Pittsburgh and Sandia National Lab support. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U. S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. H.Z. would like to thank the Chinese Scholarship Council for financial support. NR 26 TC 5 Z9 5 U1 5 U2 55 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 30 PY 2012 VL 2 AR 542 DI 10.1038/srep00542 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 982VM UT WOS:000307073500001 PM 22848788 ER PT J AU Guth, AH Nomura, Y AF Guth, Alan H. Nomura, Yasunori TI What can the observation of nonzero curvature tell us? SO PHYSICAL REVIEW D LA English DT Article ID OBSERVATIONS COSMOLOGICAL INTERPRETATION; MICROWAVE BACKGROUND ANISOTROPY; INFLATIONARY UNIVERSE SCENARIO; STATIONARY UNIVERSE; ETERNAL INFLATION; PHASE-TRANSITION; CONSTANT; OMEGA; PERTURBATIONS; PREDICTIONS AB The eternally inflating multiverse provides a consistent framework to understand coincidences and fine-tuning in the Universe. As such, it provides the possibility of finding another coincidence: if the amount of slow-roll inflation in our past was only slightly more than the anthropic threshold, then spatial curvature might be measurable. We study this issue in detail, particularly focusing on the question: "If future observations reveal nonzero curvature, what can we conclude?'' We find that whether an observable signal arises or not depends crucially on three issues: the cosmic history just before the observable inflation, the measure adopted to define probabilities in the eternally inflating spacetime, and the sign and strength of the correlation between the tunneling and slow-roll parts of the potential. We find that if future measurements find positive curvature at the level Omega(k) less than or similar to -10(-4), then the framework of the eternally inflating multiverse, as currently understood, is excluded with high significance. If the measurements instead reveal negative curvature at the level Omega(k) greater than or similar to 10(-4), then we can conclude that (1) diffusive (new or chaotic type) eternal inflation did not occur in our immediate past; (2) our pocket universe was born by a bubble nucleation; (3) the probability measure does not reward volume increase; and (4) the origin of the observed slow- roll inflation is an accidental feature of the potential, presumably selected by anthropic conditions, and not due to a theoretical mechanism ensuring the flatness of the potential. Discovery of Omega(k) greater than or similar to 10(-4) would also give us nontrivial information about the correlation between the tunneling and slow- roll parts of the potential; for example, a strong correlation favoring large N would be ruled out in certain measures. We also address the question of whether the current constraint on Omega(k) is consistent with multiverse expectations; we find the answer to be yes, except that current observations, for many choices of measure, rule out the possibility of strong correlations in the potential which favor small values of N. In the course of this work we were led to consider vacuum decay branching ratios, and found that it is more likely than one might guess that the decays are dominated by a single channel. Planned future measurements of spatial curvature provide a valuable opportunity to explore the structure of the multiverse as well as the cosmic history just before the observable inflation. C1 [Guth, Alan H.] MIT, Ctr Theoret Phys, Nucl Sci Lab, Cambridge, MA 02139 USA. [Guth, Alan H.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Nomura, Yasunori] Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Dept Phys, Berkeley, CA 94720 USA. [Nomura, Yasunori] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Guth, AH (reprint author), MIT, Ctr Theoret Phys, Nucl Sci Lab, Cambridge, MA 02139 USA. OI Nomura, Yasunori/0000-0002-1497-1479 FU DOE [DE-FG02-05ER41360]; Office of Science, Office of High Energy and Nuclear Physics, of the U. S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [PHY-0855653] FX We thank Asimina Arvanitaki, Savas Dimopoulos, Ben Freivogel, Jenny Guth, Larry Guth, and Matthew Kleban for useful discussions. We particularly thank Larry Guth for his help with Appendix B. The work of A. G. was supported in part by the DOE under Contract No. DE-FG02-05ER41360. The work of Y. N. was supported in part by the Director, Office of Science, Office of High Energy and Nuclear Physics, of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231, and in part by the National Science Foundation under Grant No. PHY-0855653. NR 97 TC 27 Z9 28 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD JUL 30 PY 2012 VL 86 IS 2 AR 023534 DI 10.1103/PhysRevD.86.023534 PG 24 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 980YO UT WOS:000306930300002 ER PT J AU Dryepondt, S Pint, BA Lara-Curzio, E AF Dryepondt, Sebastien Pint, Bruce A. Lara-Curzio, Edgar TI Creep behavior of commercial FeCrAl foils: Beneficial and detrimental effects of oxidation SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Creep test; Ferritic steels; Oxidation; Modeling; High temperature deformation ID HIGH-TEMPERATURE OXIDATION; PROTECTIVE OXIDE SCALES; ALUMINA-FORMING ALLOYS; GROWTH-RATES; STRESS; STRAIN; YTTRIUM AB Creep tests were performed at 875 degrees C and 1050 degrees C on commercially available FeCrAl foils (similar to 50 mu m, 2 mil thickness) over a wide range of stress and duration. The oxide scales formed on the creep specimens were analyzed and compared to those that formed on unstressed specimens to assess the effect of stress and strain on oxide growth behavior. Below a specific stress threshold, the creep rate becomes moderately dependent on the applied load, the lifetime independent of that load, and rupture occurs due to the onset of breakaway oxidation. A creep rate model based on the strengthening of the FeCrAl foils due to load-bearing by the thermally grown alumina scale was observed to be in good agreement with the experimental results. Published by Elsevier B.V. C1 [Dryepondt, Sebastien; Pint, Bruce A.; Lara-Curzio, Edgar] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Dryepondt, S (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008,MS 6156, Oak Ridge, TN 37831 USA. EM dryepondtsn@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 FU Fossil Advanced Research Materials Program; US D.O.E.; Office of Fossil Energy; ATS CRADA; Catalytica Energy Systems FX Foils were supplied by Jon McCarty at Catalytica Energy Systems and by Sandvik. At ORNL, the authors would like to thank G. Garner, J. Moser and R. Trejo, for assistance with the experimental work, and A. Shyam and M.P. Brady for reviewing the manuscript. The research was sponsored by the Fossil Advanced Research Materials Program, US D.O.E., Office of Fossil Energy, and the ATS CRADA with Catalytica Energy Systems. NR 37 TC 8 Z9 8 U1 2 U2 17 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUL 30 PY 2012 VL 550 BP 10 EP 18 DI 10.1016/j.msea.2012.03.031 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 967OS UT WOS:000305918300002 ER PT J AU Zhu, JX Holcomb, GR Jablonski, PD Wise, A Li, J Laughlin, DE Sridhar, S AF Zhu, Jingxi Holcomb, Gordon R. Jablonski, Paul D. Wise, Adam Li, Jia Laughlin, David E. Sridhar, Seetharaman TI Subsurface characterization of an oxidation-induced phase transformation and twinning in nickel-based superalloy exposed to oxy-combustion environments SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Oxy-fuel combustion; High temperature oxidation; Phase transformation; Superalloy ID HIGH-TEMPERATURE OXIDATION; ALLOYS; CORROSION; BEHAVIOR AB In the integration of oxy-fuel combustion to turbine power generation system, turbine alloys are exposed to high temperature and an atmosphere comprised of steam, CO2 and O-2. While surface and internal oxidation of the alloy takes place, the microstructure in the subsurface region also changes due to oxidation. In this study, bare metal coupons of Ni-base superalloys were exposed in oxy-fuel combustion environment for up to 1000 h and the oxidation-related microstructures were examined. Phase transformation occurred in the subsurface region in Ni-based superalloy and led to twinning. The transformation product phases were analyzed through thermodynamic equilibrium calculations and various electron microscopy techniques, including scanning electron microscopy (SEM), orientation imaging microscopy (OIM) and transmission electron microscopy (TEM). The mechanism by which the phase transformation and the formation of the microstructure occurred was also discussed. The possible effects of the product phases on the performance of the alloy in service were discussed. (C) 2012 Elsevier B.V. All rights reserved. C1 [Zhu, Jingxi; Wise, Adam; Li, Jia; Laughlin, David E.; Sridhar, Seetharaman] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Zhu, Jingxi; Sridhar, Seetharaman] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Holcomb, Gordon R.; Jablonski, Paul D.] Natl Energy Technol Lab, Albany, OR 97321 USA. RP Zhu, JX (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. EM jingxiz@andrew.cmu.edu; holcombg.alb.or@netl.doe.gov; Paul.Jablonski@NETL.DOE.GOV; adamwise@andrew.cmu.edu; jiali@andrew.cmu.edu; dl0p@andrew.cmu.edu; sridhars@andrew.cmu.edu RI Holcomb, Gordon/G-9070-2013; OI Holcomb, Gordon/0000-0003-3542-5319; Zhu, Jingxi/0000-0002-0019-0647 FU National Energy Technology Laboratory under RES [DE-FE0004000] FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research in advance combustion in gas turbine system under the RES contract DE-FE0004000. NR 26 TC 2 Z9 2 U1 2 U2 25 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUL 30 PY 2012 VL 550 BP 243 EP 253 DI 10.1016/j.msea.2012.04.066 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 967OS UT WOS:000305918300032 ER PT J AU Trimble, WL Keegan, KP D'Souza, M Wilke, A Wilkening, J Gilbert, J Meyer, F AF Trimble, William L. Keegan, Kevin P. D'Souza, Mark Wilke, Andreas Wilkening, Jared Gilbert, Jack Meyer, Folker TI Short-read reading-frame predictors are not created equal: sequence error causes loss of signal SO BMC BIOINFORMATICS LA English DT Article DE Gene prediction; Sequence errors; Short reads; Reading frames; Gene callers; Ab-initio gene prediction ID GENE PREDICTION; QUALITY ASSESSMENT; DATA-MANAGEMENT; ANALYSIS SYSTEM; IDENTIFICATION; GENOMES; DNA; METAGENOMICS; ANNOTATION; MICROBIOME AB Background: Gene prediction algorithms (or gene callers) are an essential tool for analyzing shotgun nucleic acid sequence data. Gene prediction is a ubiquitous step in sequence analysis pipelines; it reduces the volume of data by identifying the most likely reading frame for a fragment, permitting the out-of-frame translations to be ignored. In this study we evaluate five widely used ab initio gene-calling algorithms-FragGeneScan, MetaGeneAnnotator, MetaGeneMark, Orphelia, and Prodigal-for accuracy on short (75-1000 bp) fragments containing sequence error from previously published artificial data and "real" metagenomic datasets. Results: While gene prediction tools have similar accuracies predicting genes on error-free fragments, in the presence of sequencing errors considerable differences between tools become evident. For error-containing short reads, FragGeneScan finds more prokaryotic coding regions than does MetaGeneAnnotator, MetaGeneMark, Orphelia, or Prodigal. This improved detection of genes in error-containing fragments, however, comes at the cost of much lower (50%) specificity and overprediction of genes in noncoding regions. Conclusions: Ab initio gene callers offer a significant reduction in the computational burden of annotating individual nucleic acid reads and are used in many metagenomic annotation systems. For predicting reading frames on raw reads, we find the hidden Markov model approach in FragGeneScan is more sensitive than other gene prediction tools, while Prodigal, MGA, and MGM are better suited for higher-quality sequences such as assembled contigs. C1 [Trimble, William L.; Keegan, Kevin P.; D'Souza, Mark; Wilke, Andreas; Meyer, Folker] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Trimble, William L.; Keegan, Kevin P.; D'Souza, Mark; Wilke, Andreas; Wilkening, Jared; Gilbert, Jack; Meyer, Folker] Argonne Natl Lab, Argonne, IL 60439 USA. RP Trimble, WL (reprint author), Univ Chicago, Computat Inst, Chicago, IL 60637 USA. EM trimble@anl.gov OI Trimble, William L./0000-0001-7029-2676; Meyer, Folker/0000-0003-1112-2284 FU Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-06CH11357]; DOE Systems Biology Knowledgebase; Alfred P Sloan Foundation [2010-12-01]; National Institutes of Health (NIH) [UH3DK083993]; Magellan machine (Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy) [DE-AC02-06CH11357]; PADS resource (National Science Foundation) [OCI-0821678] FX This work was supported by the Office of Science, Office of Biological and Environmental Research, of the US Department of Energy under Contract No. DE-AC02-06CH11357, as part of the DOE Systems Biology Knowledgebase and by the Alfred P Sloan Foundation under grant# 2010-12-01. This work was also supported by funding from the National Institutes of Health (NIH), grant UH3DK083993 (WT) and used the Magellan machine (Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, Contract grant DE-AC02-06CH11357) at Argonne National Laboratory, and the PADS resource (National Science Foundation grant OCI-0821678) at the Argonne National Laboratory/University of Chicago Computation Institute. The authors thank Z-T Lu for his support, K Hoff for help reproducing the alignment-based gene sensitivity measurements, and G Pieper and J F Salazar for copyediting. NR 49 TC 14 Z9 14 U1 0 U2 17 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD JUL 28 PY 2012 VL 13 AR 183 DI 10.1186/1471-2105-13-183 PG 9 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 059MQ UT WOS:000312710000001 PM 22839106 ER PT J AU McClendon, SD Batth, T Petzold, CJ Adams, PD Simmons, BA Singer, SW AF McClendon, Shara D. Batth, Tanveer Petzold, Christopher J. Adams, Paul D. Simmons, Blake A. Singer, Steven W. TI Thermoascus aurantiacus is a promising source of enzymes for biomass deconstruction under thermophilic conditions SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article DE Thermoascus aurantiacus; Thielavia terrestris; GH 61; Polysaccharide monooxygenases; Fungal secretome; Ammonia fiber expansion; Ionic liquid; 1-ethyl-3-methylimidazolium acetate; Switchgrass (Panicum virgatum) ID FIBER EXPANSION AFEX; DILUTE-ACID; LIGNOCELLULOSIC BIOMASS; IONIC LIQUID; PRETREATMENT; SWITCHGRASS; HYDROLYSIS; CELLULASE; FUNGI; DEGRADATION AB Background: Thermophilic fungi have attracted increased interest for their ability to secrete enzymes that deconstruct biomass at high temperatures. However, development of thermophilic fungi as enzyme producers for biomass deconstruction has not been thoroughly investigated. Comparing the enzymatic activities of thermophilic fungal strains that grow on targeted biomass feedstocks has the potential to identify promising candidates for strain development. Thielavia terrestris and Thermoascus aurantiacus were chosen for characterization based on literature precedents. Results: Thermoascus aurantiacus and Thielavia terrestris were cultivated on various biomass substrates and culture supernatants assayed for glycoside hydrolase activities. Supernatants from both cultures possessed comparable glycoside hydrolase activities when incubated with artificial biomass substrates. In contrast, saccharifications of ionic liquid pretreated switchgrass (Panicum virgatum) revealed that T. aurantiacus enzymes released more glucose than T. terrestris enzymes over a range of protein mass loadings and temperatures. Temperature-dependent saccharifications demonstrated that the T. aurantiacus proteins retained higher levels of activity compared to a commercial enzyme mixture sold by Novozymes, Cellic CTec2, at elevated temperatures. Enzymes secreted by T. aurantiacus released glucose at similar protein loadings to CTec2 on dilute acid, ammonia fiber expansion, or ionic liquid pretreated switchgrass. Proteomic analysis of the T. aurantiacus culture supernatant revealed dominant glycoside hydrolases from families 5, 7, 10, and 61, proteins that are key enzymes in commercial cocktails. Conclusions: T. aurantiacus produces a complement of secreted proteins capable of higher levels of saccharification of pretreated switchgrass than T. terrestris enzymes. The T. aurantiacus enzymatic cocktail performs at the same level as commercially available enzymatic cocktail for biomass deconstruction, without strain development or genetic modifications. Therefore, T. aurantiacus provides an excellent platform to develop a thermophilic fungal system for enzyme production for the conversion of biomass to biofuels. C1 [Singer, Steven W.] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. [McClendon, Shara D.; Batth, Tanveer; Petzold, Christopher J.; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Simmons, Blake A.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. [Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Singer, SW (reprint author), Joint BioEnergy Inst, Deconstruct Div, 5885 Hollis St, Emeryville, CA 94608 USA. EM swsinger@lbl.gov RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX Novozymes (Davis, CA) is acknowledged for the generous gift of enzyme cocktails (Cellic CTec2). Bruce Dale (Michigan State University; Great Lakes Bioenergy Center) is acknowledged for providing AFEX-treated switchgrass and Mike Himmel (National Renewable Energy Laboratory; BioEnergy Science Center) is acknowledged for providing dilute acid-treated switchgrass. We thank Dr. Ken Vogel at the United States Department of Agriculture, Lincoln, NE, for supplying switchgrass. This work was performed as part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. NR 29 TC 17 Z9 17 U1 0 U2 30 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD JUL 28 PY 2012 VL 5 AR 54 DI 10.1186/1754-6834-5-54 PG 9 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA 046AS UT WOS:000311738500001 PM 22839529 ER PT J AU Long, DA Robichaud, DJ Hodges, JT AF Long, D. A. Robichaud, D. J. Hodges, J. T. TI Frequency-stabilized cavity ring-down spectroscopy measurements of line mixing and collision induced absorption in the O-2 A-band (vol 137, 014307, 2012) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Correction C1 [Long, D. A.; Hodges, J. T.] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Robichaud, D. J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Long, DA (reprint author), NIST, Mat Measurement Lab, 100 Bur Dr, Gaithersburg, MD 20899 USA. EM david.long@nist.gov NR 2 TC 0 Z9 0 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2012 VL 137 IS 4 AR 049903 DI 10.1063/1.4740237 PG 1 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 990DP UT WOS:000307611500074 ER PT J AU Mauro, NA Fu, W Bendert, JC Cheng, YQ Ma, E Kelton, KF AF Mauro, N. A. Fu, W. Bendert, J. C. Cheng, Y. Q. Ma, E. Kelton, K. F. TI Local atomic structure in equilibrium and supercooled liquid Zr75.5Pd24.5 SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID QUASI-CRYSTALLINE PHASE; MEDIUM-RANGE ORDER; BINARY ZR-PD; METALLIC GLASSES; NANOQUASICRYSTALLINE PHASE; AMORPHOUS-ALLOYS; NI; PACKING; AU AB Atomic structures were obtained in equilibrium and supercooled eutectic Zr75.5Pd24.5 liquids by in situ high-energy synchrotron diffraction measurements using the beamline electrostatic levitation (BESL) technique, which provides a high-vacuum, containerless, environment. Reverse Monte Carlo fits to the x-ray static structure factors, constrained using partial pair correlation functions obtained from ab initio molecular dynamics simulations, indicate the presence of medium-range order (MRO) in the form of a strong tendency for Pd-Pd (solute-solute) avoidance. This order persists over the entire temperature range studied, from 170 degrees C above the equilibrium liquidus temperature to 263 degrees C below it. Further, a quantitative analysis of the atomic structures obtained indicates a modest degree of icosahedral-like local order around Pd atoms, with the clusters showing an increased tendency for face-sharing to form more extended structures with decreasing temperature. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4737381] C1 [Mauro, N. A.; Fu, W.; Bendert, J. C.; Kelton, K. F.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Cheng, Y. Q.; Ma, E.] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. [Cheng, Y. Q.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Mauro, NA (reprint author), Washington Univ, Dept Phys, St Louis, MO 63130 USA. EM nmauro@physics.wustl.edu RI Cheng, Yongqiang/F-6567-2010; Ma, En/A-3232-2010 FU National Science Foundation [DMR-0856199]; NASA [NNX07AK27G, NNX09AJ19H, NNX10AU19G]; U.S. Department of Energy (DOE), Basic Energy Sciences, Office of Science [DEAC02-06CH11357]; JHU by the National Science Foundation [DMR-0904188]; Scientific User Facilities Division, Office of Basic Energy Sciences, DOE FX We acknowledge the valuable assistance of A. J. Vogt, D. Robinson, A. I. Goldman, G. E. Rustan, and A. Kreyssig. The research was partially supported by the National Science Foundation under Grant No. DMR-0856199, and by NASA under Grant Nos. NNX07AK27G and NNX09AJ19H and NNX10AU19G. The synchrotron measurements were made on the MUCAT beamline at the Advanced Photon Source. Use of the Advanced Photon Source is supported by the U.S. Department of Energy (DOE), Basic Energy Sciences, Office of Science, under Contract No. DEAC02-06CH11357. Y.Q.C. and E.M. were supported at JHU by the National Science Foundation under Grant No. DMR-0904188. Y.Q.C. at ORNL was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, DOE. NR 55 TC 10 Z9 10 U1 4 U2 60 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2012 VL 137 IS 4 AR 044501 DI 10.1063/1.4737381 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 990DP UT WOS:000307611500036 PM 22852625 ER PT J AU Sun, R Park, K de Jong, WA Lischka, H Windus, TL Hase, WL AF Sun, Rui Park, Kyoyeon de Jong, Wibe A. Lischka, Hans Windus, Theresa L. Hase, William L. TI Direct dynamics simulation of dioxetane formation and decomposition via the singlet center dot O-O-CH2-CH2 center dot biradical: Non-RRKM dynamics SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ORBITAL METHODS; CLASSICAL TRAJECTORY SIMULATIONS; SN2 NUCLEOPHILIC-SUBSTITUTION; TRANSITION-STATE THEORY; GAUSSIAN-TYPE BASIS; PERTURBATION-THEORY; UNIMOLECULAR DISSOCIATION; CHEMICAL ACTIVATION; REACTION-MECHANISM; ORGANIC-MOLECULES AB Electronic structure calculations and direct chemical dynamics simulations are used to study the formation and decomposition of dioxetane on its ground state singlet potential energy surface. The stationary points for O-1(2) + C2H4, the singlet center dot O-O-CH2-CH2 center dot biradical, the transition state (TS) connecting this biradical with dioxetane, and the two transition states and gauche center dot O-O-CH2-CH2 center dot biradical connecting dioxetane with the formaldehyde product molecules are investigated at different levels of electronic structure theory including UB3LYP, UMP2, MRMP2, and CASSCF and a range of basis sets. The UB3LYP/6-31G* method was found to give representative energies for the reactive system and was used as a model for the simulations. UB3LYP/6-31G* direct dynamics trajectories were initiated at the TS connecting the center dot O-O-CH2-CH2 center dot biradical and dioxetane by sampling the TS's vibrational energy levels, and rotational and reaction coordinate energies, with Boltzmann distributions at 300, 1000, and 1500 K. This corresponds to the transition state theory model for trajectories that pass the TS. The trajectories were directed randomly towards both the biradical and dioxetane. A small fraction of the trajectories directed towards the biradical recrossed the IS and formed dioxetane. The remainder formed O-1(2) + C2H4 and of these similar to 40% went directly from the TS to O-1(2) + C2H4 without getting trapped and forming an intermediate in the center dot O-O-CH2-CH2 center dot biradical potential energy minimum, a non-statistical result. The dioxetane molecules which are formed dissociate to two formaldehyde molecules with a rate constant two orders of magnitude smaller than that predicted by Rice-Ramsperger-Kassel-Marcus theory. The reaction dynamics from dioxetane to the formaldehyde molecules do not follow the intrinsic reaction coordinate or involve trapping in the gauche center dot O-CH2-CH2-O center dot biradical potential energy minimum. Important non-statistical dynamics are exhibited for this reactive system. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4736843] C1 [Sun, Rui; Park, Kyoyeon; Lischka, Hans; Hase, William L.] Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA. [Park, Kyoyeon] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92903 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 Sun, R (reprint author), Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA. RI DE JONG, WIBE/A-5443-2008; Lischka, Hans/A-8802-2015 OI DE JONG, WIBE/0000-0002-7114-8315; FU National Science Foundation [OISE-0730114]; Robert A. Welch Foundation [D-0005] FX This material is based upon work supported by the National Science Foundation under Grant No. OISE-0730114, as part of the Partnerships in International Research and Education (PIRE) Program, and by the Robert A. Welch Foundation under Grant No. D-0005. Rui Sun is indebted to Srirangam V. Addepalli for his help in using the capabilities of GAMESS and parallel computing. The Hrothgar computer cluster at Texas Tech University, within the High Performance Computing Center and under the direction of Dr. Philip W. Smith, was used for the simulations reported here. NR 83 TC 9 Z9 9 U1 1 U2 34 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2012 VL 137 IS 4 AR 044305 DI 10.1063/1.4736843 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 990DP UT WOS:000307611500027 PM 22852616 ER PT J AU Abazov, VM Abbott, B Acharya, BS Adams, M Adams, T Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Aoki, M Askew, A Atkins, S Augsten, K Avila, C Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, S Barberis, E Baringer, P Barreto, J Bartlett, JF Bassler, U Bazterra, V Bean, A Begalli, M Bellantoni, L Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatia, S Bhatnagar, V Blazey, G Blessing, S Bloom, K Boehnlein, A Boline, D Boos, EE Borissov, G Bose, T Brandt, A Brandt, O Brock, R Brooijmans, G Bross, A Brown, D Brown, J Bu, XB Buehler, M Buescher, V Bunichev, V Burdin, S Buszello, CP Camacho-Perez, E Carvalho, W Casey, BCK Castilla-Valdez, H Caughron, S Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chapon, E Chen, G Chevalier-Thery, S Cho, DK Cho, SW Choi, S Choudhary, B Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Croc, A Cutts, D Das, A Davies, G de Jong, SJ De La Cruz-Burelo, E Martins, CD Deliot, F Demina, R Denisov, D Denisov, SP Desai, S Deterre, C DeVaughan, K Diehl, HT Diesburg, M Ding, PF Dominguez, A Dubey, A Dudko, LV Duggan, D Duperrin, A Dutt, S Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Evans, H Evdokimov, A Evdokimov, VN Facini, G Feng, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fuess, S Garcia-Bellido, A Garcia-Gonzalez, JA Garcia-Guerra, GA Gavrilov, V Gay, P Geng, W Gerbaudo, D Gerber, CE Gershtein, Y Ginther, G Golovanov, G Goussiou, A Grannis, PD Greder, S Greenlee, H Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjean, A Grunendahl, S Grunewald, MW Guillemin, T Gutierrez, G Gutierrez, P Haas, A Hagopian, S Haley, J Han, L Harder, K Harel, A Hauptman, JM Hays, J Head, T Hebbeker, T Hedin, D Hegab, H Heinson, AP Heintz, U Hensel, C Heredia-De La Cruz, I Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoang, T Hobbs, JD Hoeneisen, B Hohlfeld, M Howley, I Hubacek, Z Hynek, V Iashvili, I Ilchenko, Y Illingworth, R Ito, AS Jabeen, S Jaffre, M Jayasinghe, A Jesik, R Johns, K Johnson, E Johnson, M Jonckheere, A Jonsson, P Joshi, J Jung, AW Juste, A Kaadze, K Kajfasz, E Karmanov, D Kasper, PA Katsanos, I Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YN Kiselevich, I Kohli, JM Kozelov, AV Kraus, J Kulikov, S Kumar, A Kupco, A Kurca, T Kuzmin, VA Lammers, S Landsberg, G Lebrun, P Lee, HS Lee, SW Lee, WM Lellouch, J Li, H Li, L Li, QZ Lim, JK Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, H Liu, Y Lobodenko, A Lokajicek, M de Sa, RL Lubatti, HJ Luna-Garcia, R Lyon, AL Maciel, AKA Madar, R Magana-Villalba, R Malik, S Malyshev, VL Maravin, Y Martinez-Ortega, J McCarthy, R McGivern, CL Meijer, MM Melnitchouk, A Mendoza, L Menezes, D Mercadante, PG Merkin, M Meyer, A Meyer, J Miconi, F Molina, J Mondal, NK da Motta, H Mulhearn, M Mundim, L Nagy, E Naimuddin, M Narain, M Nayyar, R Neal, HA Negret, JP Neustroev, P Novaes, SF Nunnemann, T Obrant, G Oguri, V Orduna, J Osman, N Osta, J Padilla, M Pal, A Parashar, N Parihar, V Park, SK Partridge, R Parua, N Patwa, A Penning, B Perfilov, M Peters, Y Petridis, K Petrillo, G Petroff, P Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Pol, ME Popov, AV da Silva, WLP Prewitt, M Price, D Prokopenko, N Qian, J Quadt, A Quinn, B Rangel, MS Ranjan, K Ratoff, PN Razumov, I Renkel, P Ripp-Baudot, I Rizatdinova, F Rominsky, M Ross, A Royon, C Rubinov, P Ruchti, R Sajot, G Salcido, P Sanchez-Hernandez, A Sanders, MP Sanghi, B Santoro, A Santos, AS Savage, G Sawyer, L Scanlon, T Schamberger, RD Scheglov, Y Schellman, H Schlobohm, S Schwanenberger, C Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shary, V Shaw, S Shchukin, AA Shivpuri, RK Simak, V Skubic, P Slattery, P Smirnov, D Smith, KJ Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Soustruznik, K Stark, J Stoyanova, DA Strang, MA Strauss, M Stutte, L Suter, L Svoisky, P Takahashi, M Titov, M Tokmenin, VV Tsai, YT Tschann-Grimm, K Tsybychev, D Tuchming, B Tully, C Uvarov, L Uvarov, S Uzunyan, S Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Verdier, P Verkheev, AY Vertogradov, LS Verzocchi, M Vesterinen, M Vilanova, D Vokac, P Wahl, HD Wang, MHLS Warchol, J Watts, G Wayne, M Weichert, J Welty-Rieger, L White, A Wicke, D Williams, MRJ Wilson, GW Wobisch, M Wood, DR Wyatt, TR Xie, Y Yamada, R Yang, WC Yasuda, T Yatsunenko, YA Ye, W Ye, Z Yin, H Yip, K Youn, SW Zennamo, J Zhao, T Zhao, TG Zhou, B Zhu, J Zielinski, M Zieminska, D Zivkovic, L AF Abazov, V. M. Abbott, B. Acharya, B. S. Adams, M. Adams, T. Alexeev, G. D. Alkhazov, G. Alton, A. Alverson, G. Alves, G. A. Aoki, M. Askew, A. Atkins, S. Augsten, K. Avila, C. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Baringer, P. Barreto, J. Bartlett, J. F. Bassler, U. Bazterra, V. Bean, A. Begalli, M. Bellantoni, L. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bezzubov, V. A. Bhat, P. C. Bhatia, S. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Boos, E. E. Borissov, G. Bose, T. Brandt, A. Brandt, O. Brock, R. Brooijmans, G. Bross, A. Brown, D. Brown, J. Bu, X. B. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Buszello, C. P. Camacho-Perez, E. Carvalho, W. Casey, B. C. K. Castilla-Valdez, H. Caughron, S. Chakrabarti, S. Chakraborty, D. Chan, K. M. Chandra, A. Chapon, E. Chen, G. Chevalier-Thery, S. Cho, D. K. Cho, S. W. Choi, S. Choudhary, B. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Croc, A. Cutts, D. Das, A. Davies, G. de Jong, S. J. De La Cruz-Burelo, E. De Oliveira Martins, C. Deliot, F. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Deterre, C. DeVaughan, K. Diehl, H. T. Diesburg, M. Ding, P. F. Dominguez, A. Dubey, A. Dudko, L. V. Duggan, D. Duperrin, A. Dutt, S. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Evans, H. Evdokimov, A. Evdokimov, V. N. Facini, G. Feng, L. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fuess, S. Garcia-Bellido, A. Garcia-Gonzalez, J. A. Garcia-Guerra, G. A. Gavrilov, V. Gay, P. Geng, W. Gerbaudo, D. Gerber, C. E. Gershtein, Y. Ginther, G. Golovanov, G. Goussiou, A. Grannis, P. D. Greder, S. Greenlee, H. Gregores, E. M. Grenier, G. Gris, Ph. Grivaz, J. -F. Grohsjean, A. Gruenendahl, S. Gruenewald, M. W. Guillemin, T. Gutierrez, G. Gutierrez, P. Haas, A. Hagopian, S. Haley, J. Han, L. Harder, K. Harel, A. Hauptman, J. M. Hays, J. Head, T. Hebbeker, T. Hedin, D. Hegab, H. Heinson, A. P. Heintz, U. Hensel, C. Heredia-De La Cruz, I. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hoang, T. Hobbs, J. D. Hoeneisen, B. Hohlfeld, M. Howley, I. Hubacek, Z. Hynek, V. Iashvili, I. Ilchenko, Y. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jayasinghe, A. Jesik, R. Johns, K. Johnson, E. Johnson, M. Jonckheere, A. Jonsson, P. Joshi, J. Jung, A. W. Juste, A. Kaadze, K. Kajfasz, E. Karmanov, D. Kasper, P. A. Katsanos, I. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. N. Kiselevich, I. Kohli, J. M. Kozelov, A. V. Kraus, J. Kulikov, S. Kumar, A. Kupco, A. Kurca, T. Kuzmin, V. A. Lammers, S. Landsberg, G. Lebrun, P. Lee, H. S. Lee, S. W. Lee, W. M. Lellouch, J. Li, H. Li, L. Li, Q. Z. Lim, J. K. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, H. Liu, Y. Lobodenko, A. Lokajicek, M. de Sa, R. Lopes Lubatti, H. J. Luna-Garcia, R. Lyon, A. L. Maciel, A. K. A. Madar, R. Magana-Villalba, R. Malik, S. Malyshev, V. L. Maravin, Y. Martinez-Ortega, J. McCarthy, R. McGivern, C. L. Meijer, M. M. Melnitchouk, A. Mendoza, L. Menezes, D. Mercadante, P. G. Merkin, M. Meyer, A. Meyer, J. Miconi, F. Molina, J. Mondal, N. K. da Motta, H. Mulhearn, M. Mundim, L. Nagy, E. Naimuddin, M. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Novaes, S. F. Nunnemann, T. Obrant, G. Oguri, V. Orduna, J. Osman, N. Osta, J. Padilla, M. Pal, A. Parashar, N. Parihar, V. Park, S. K. Partridge, R. Parua, N. Patwa, A. Penning, B. Perfilov, M. Peters, Y. Petridis, K. Petrillo, G. Petroff, P. Pleier, M. -A. Podesta-Lerma, P. L. M. Podstavkov, V. M. Pol, M. -E. Popov, A. V. Prado da Silva, W. L. Prewitt, M. Price, D. Prokopenko, N. Qian, J. Quadt, A. Quinn, B. Rangel, M. S. Ranjan, K. Ratoff, P. N. Razumov, I. Renkel, P. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Sajot, G. Salcido, P. Sanchez-Hernandez, A. Sanders, M. P. Sanghi, B. Santoro, A. Santos, A. S. Savage, G. Sawyer, L. Scanlon, T. Schamberger, R. D. Scheglov, Y. Schellman, H. Schlobohm, S. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shary, V. Shaw, S. Shchukin, A. A. Shivpuri, R. K. Simak, V. Skubic, P. Slattery, P. Smirnov, D. Smith, K. J. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Soustruznik, K. Stark, J. Stoyanova, D. A. Strang, M. A. Strauss, M. Stutte, L. Suter, L. Svoisky, P. Takahashi, M. Titov, M. Tokmenin, V. V. Tsai, Y. -T. Tschann-Grimm, K. Tsybychev, D. Tuchming, B. Tully, C. Uvarov, L. Uvarov, S. Uzunyan, S. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verdier, P. Verkheev, A. Y. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vilanova, D. Vokac, P. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weichert, J. Welty-Rieger, L. White, A. Wicke, D. Williams, M. R. J. Wilson, G. W. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yamada, R. Yang, W. -C. Yasuda, T. Yatsunenko, Y. A. Ye, W. Ye, Z. Yin, H. Yip, K. Youn, S. W. Zennamo, J. Zhao, T. Zhao, T. G. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. CA D0 Collaboration TI Measurement of the differential cross section d sigma/dt in elastic p(p)over-bar scattering at root s=1.96 TeV SO PHYSICAL REVIEW D LA English DT Article ID DETECTOR; COLLIDER; ENERGIES; PP AB We present a measurement of the elastic differential cross section d sigma(p (p) over bar -> p (p) over bar)/dt as a function of the four- momentum-transfer squared t. The data sample corresponds to an integrated luminosity of approximate to 31 nb(-1) collected with the D0 detector using dedicated Tevatron p (p) over bar Collider operating conditions at root s = 1.96 TeV and covers the range 0.26 < vertical bar t vertical bar < 1.2 GeV2. For vertical bar t vertical bar < 0.6 GeV2, d sigma/dt is described by an exponential function of the form Ae(-b vertical bar t vertical bar) with a slope parameter b = 16.86 +/- 0.10(stat) +/- 0.20(syst) GeV-2. A change in slope is observed at vertical bar t vertical bar approximate to 0.6 GeV2, followed by a more gradual vertical bar t vertical bar dependence with increasing values of vertical bar t vertical bar. C1 [Abazov, V. M.; Alexeev, G. D.; Golovanov, G.; Kharzheev, Y. N.; Malyshev, V. L.; Tokmenin, V. V.; Verkheev, A. Y.; Vertogradov, L. S.] Joint Inst Nucl Res, Dubna, Russia. [Alves, G. A.; Maciel, A. K. A.; da Motta, H.; Pol, M. -E.; Rangel, M. S.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Barreto, J.; Begalli, M.; Carvalho, W.; De Oliveira Martins, C.; Molina, J.; Mundim, L.; Oguri, V.; Prado da Silva, W. L.; Santoro, A.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Gregores, E. M.; Mercadante, P. G.] Univ Fed ABC, Santo Andre, Brazil. [Novaes, S. F.; Santos, A. S.] Univ Estadual Paulista, Sao Paulo, Brazil. [Han, L.; Liu, Y.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; Mendoza, L.; Negret, J. P.] Univ Los Andes, Bogota, Colombia. [Soustruznik, K.] Charles Univ Prague, Fac Math & Phys, Ctr Particle Phys, Prague, Czech Republic. [Augsten, K.; Hubacek, Z.; Hynek, V.; Simak, V.; Vokac, P.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Kupco, A.; Lokajicek, M.] Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gay, P.; Gris, Ph.] Univ Clermont Ferrand, CNRS, IN2P3, LPC, Clermont Ferrand, France. [Li, H.; Sajot, G.; Stark, J.] Univ Grenoble 1, CNRS, IN2P3, Inst Natl Polytech Grenoble,LPSC, Grenoble, France. [Cousinou, M. -C.; Duperrin, A.; Geng, W.; Kajfasz, E.; Kermiche, S.; Nagy, E.; Osman, N.] Aix Marseille Univ, CNRS, IN2P3, CPPM, Marseille, France. [Grivaz, J. -F.; Guillemin, T.; Jaffre, M.; Petroff, P.] Univ Paris 11, CNRS, IN2P3, LAL,USA, F-91405 Orsay, France. [Bernardi, G.; Brown, D.; Brown, J.; Enari, Y.; Lellouch, J.] Univ Paris 06, CNRS, IN2P3, LPNHE, Paris, France. [Bernardi, G.; Brown, D.; Brown, J.; Enari, Y.; Lellouch, J.] Univ Paris 07, CNRS, IN2P3, LPNHE, Paris, France. [Bassler, U.; Besancon, M.; Chapon, E.; Chevalier-Thery, S.; Couderc, F.; Croc, A.; Deliot, F.; Deterre, C.; Grohsjean, A.; Hubacek, Z.; Madar, R.; Royon, C.; Shary, V.; Titov, M.; Tuchming, B.; Vilanova, D.] SPP, CEA, Saclay, France. [Greder, S.; Miconi, F.; Ripp-Baudot, I.] Univ Strasbourg, CNRS, IN2P3, IPHC, Strasbourg, France. [Grenier, G.; Kurca, T.; Lebrun, P.; Verdier, P.] Univ Lyon 1, CNRS, IN2P3, IPNL, F-69622 Villeurbanne, France. [Grenier, G.; Kurca, T.; Lebrun, P.; Verdier, P.] Univ Lyon, Lyon, France. [Hebbeker, T.; Meyer, A.; Sonnenschein, L.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Bernhard, R.] Univ Freiburg, Inst Phys, D-79106 Freiburg, Germany. [Brandt, O.; Hensel, C.; Meyer, J.; Quadt, A.; Shabalina, E.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Buescher, V.; Fiedler, F.; Filthaut, F.; Hohlfeld, M.; Meijer, M. M.; Weichert, J.] Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. [Nunnemann, T.; Sanders, M. P.] Univ Munich, Munich, Germany. [Wicke, D.] Berg Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. [Beri, S. B.; Bhatnagar, V.; Dutt, S.; Kohli, J. M.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B.; Dubey, A.; Naimuddin, M.; Ranjan, K.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Acharya, B. S.; Banerjee, S.; Mondal, N. K.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Gruenewald, M. W.] Univ Coll Dublin, Dublin 2, Ireland. [Cho, S. W.; Choi, S.; Lee, H. S.; Lim, J. K.; Park, S. K.] Korea Univ, Korea Detector Lab, Seoul, South Korea. [Camacho-Perez, E.; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Garcia-Gonzalez, J. A.; Garcia-Guerra, G. A.; Heredia-De La Cruz, I.; Luna-Garcia, R.; Magana-Villalba, R.; Martinez-Ortega, J.; Podesta-Lerma, P. L. M.; Sanchez-Hernandez, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [de Jong, S. J.; Filthaut, F.; Meijer, M. M.; van Leeuwen, W. M.] Nikhef, Amsterdam, Netherlands. [de Jong, S. J.] Radboud Univ Nijmegen, NL-6525 ED Nijmegen, Netherlands. [Gavrilov, V.; Kiselevich, I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Boos, E. E.; Bunichev, V.; Dudko, L. V.; Karmanov, D.; Kuzmin, V. A.; Merkin, M.; Perfilov, M.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Bezzubov, V. A.; Denisov, S. P.; Evdokimov, V. N.; Kozelov, A. V.; Kulikov, S.; Lipaev, V. V.; Popov, A. V.; Prokopenko, N.; Razumov, I.; Shchukin, A. A.; Stoyanova, D. A.; Vasilyev, I. A.] Inst High Energy Phys, Protvino, Russia. [Alkhazov, G.; Lobodenko, A.; Neustroev, P.; Obrant, G.; Scheglov, Y.; Uvarov, L.; Uvarov, S.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Juste, A.] ICREA, Barcelona, Spain. [Juste, A.] IFAE, Barcelona, Spain. [Buszello, C. P.] Uppsala Univ, Uppsala, Sweden. [Bertram, I.; Borissov, G.; Burdin, S.; Fox, H.; Ratoff, P. N.; Ross, A.; Williams, M. R. J.] Univ Lancaster, Lancaster LA1 4YB, England. [Beuselinck, R.; Davies, G.; Hays, J.; Jesik, R.; Jonsson, P.; Scanlon, T.] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Ding, P. F.; Harder, K.; Head, T.; Hesketh, G.; Peters, Y.; Petridis, K.; Schwanenberger, C.; Soeldner-Rembold, S.; Suter, L.; Takahashi, M.; Vesterinen, M.; Wyatt, T. R.; Yang, W. -C.; Zhao, T. G.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Das, A.; Johns, K.; Nayyar, R.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Ellison, J.; Heinson, A. P.; Joshi, J.; Li, L.; Padilla, M.] Univ Calif Riverside, Riverside, CA 92521 USA. [Adams, T.; Askew, A.; Bandurin, D. V.; Blessing, S.; Hagopian, S.; Hoang, T.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Aoki, M.; Bagby, L.; Baldin, B.; Bartlett, J. F.; Bellantoni, L.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Bu, X. B.; Buehler, M.; Casey, B. C. K.; Cihangir, S.; Cooke, M.; Cooper, W. E.; Denisov, D.; Desai, S.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisk, H. E.; Fuess, S.; Ginther, G.; Greenlee, H.; Gruenendahl, S.; Gutierrez, G.; Illingworth, R.; Ito, A. S.; Johnson, M.; Jonckheere, A.; Jung, A. W.; Kasper, P. A.; Khalatyan, N.; Lee, W. M.; Li, Q. Z.; Lincoln, D.; Lipton, R.; Lyon, A. L.; Penning, B.; Podstavkov, V. M.; Rominsky, M.; Rubinov, P.; Sanghi, B.; Savage, G.; Stutte, L.; Verzocchi, M.; Wang, M. H. L. S.; Xie, Y.; Yamada, R.; Yasuda, T.; Ye, Z.; Yin, H.; Youn, S. W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, M.; Bazterra, V.; Gerber, C. E.; Ginther, G.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Blazey, G.; Chakraborty, D.; Dyshkant, A.; Feng, L.; Fortner, M.; Hedin, D.; Menezes, D.; Salcido, P.; Uzunyan, S.] No Illinois Univ, De Kalb, IL 60115 USA. [Schellman, H.; Welty-Rieger, L.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Lammers, S.; Parua, N.; Price, D.; Van Kooten, R.; Zieminska, D.] Indiana Univ, Bloomington, IN 47405 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Chan, K. M.; Hildreth, M. D.; Osta, J.; Ruchti, R.; Smirnov, D.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Hauptman, J. M.; Lee, S. W.] Iowa State Univ, Ames, IA 50011 USA. [Baringer, P.; Bean, A.; Chen, G.; Clutter, J.; McGivern, C. L.; Sekaric, J.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Kaadze, K.; Maravin, Y.] Kansas State Univ, Manhattan, KS 66506 USA. [Atkins, S.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Bose, T.] Boston Univ, Boston, MA 02215 USA. [Alverson, G.; Barberis, E.; Facini, G.; Haley, J.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; Herner, K.; Neal, H. A.; Qian, J.; Zhou, B.; Zhu, J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Brock, R.; Caughron, S.; Edmunds, D.; Fisher, W.; Geng, W.; Johnson, E.; Linnemann, J.; Schwienhorst, R.; Shaw, S.] Michigan State Univ, E Lansing, MI 48824 USA. [Bhatia, S.; Kraus, J.; Melnitchouk, A.; Quinn, B.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Claes, D.; DeVaughan, K.; Dominguez, A.; Eads, M.; Katsanos, I.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA. [Duggan, D.; Gershtein, Y.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Gerbaudo, D.; Tully, C.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; Smith, K. J.; Zennamo, J.] SUNY Buffalo, Buffalo, NY 14260 USA. [Brooijmans, G.; Haas, A.] Columbia Univ, New York, NY 10027 USA. [Demina, R.; Ferbel, T.; Garcia-Bellido, A.; Harel, A.; Petrillo, G.; Slattery, P.; Tsai, Y. -T.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Boline, D.; Chakrabarti, S.; Grannis, P. D.; Hobbs, J. D.; de Sa, R. Lopes; McCarthy, R.; Schamberger, R. D.; Tschann-Grimm, K.; Tsybychev, D.; Ye, W.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Evdokimov, A.; Patwa, A.; Pleier, M. -A.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Jayasinghe, A.; Severini, H.; Skubic, P.; Strauss, M.; Svoisky, P.] Univ Oklahoma, Norman, OK 73019 USA. [Hegab, H.; Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Cho, D. K.; Cutts, D.; Heintz, U.; Jabeen, S.; Landsberg, G.; Narain, M.; Parihar, V.; Partridge, R.; Zivkovic, L.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; Howley, I.; Pal, A.; Strang, M. A.; White, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Ilchenko, Y.; Kehoe, R.; Liu, H.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Orduna, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Hirosky, R.; Mulhearn, M.] Univ Virginia, Charlottesville, VA 22901 USA. [Goussiou, A.; Lubatti, H. J.; Schlobohm, S.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI Oguri, Vitor/B-5403-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Max, Mad/E-5238-2010; Lokajicek, Milos/G-7800-2014; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014; Gerbaudo, Davide/J-4536-2012; Li, Liang/O-1107-2015; Merkin, Mikhail/D-6809-2012; Dudko, Lev/D-7127-2012; Santos, Angelo/K-5552-2012; Novaes, Sergio/D-3532-2012; Gutierrez, Phillip/C-1161-2011; Mercadante, Pedro/K-1918-2012; Mundim, Luiz/A-1291-2012; De La Cruz Burelo, Eduard/B-9802-2013; Alves, Gilvan/C-4007-2013; Yip, Kin/D-6860-2013; Fisher, Wade/N-4491-2013 OI Sharyy, Viatcheslav/0000-0002-7161-2616; Max, Mad/0000-0001-6966-6829; Gerbaudo, Davide/0000-0002-4463-0878; Li, Liang/0000-0001-6411-6107; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Mundim, Luiz/0000-0001-9964-7805; De La Cruz Burelo, Eduard/0000-0002-7469-6974; Yip, Kin/0000-0002-8576-4311; FU U.S. Department of Energy (DOE); National Science Foundation (NSF) (USA); CEA; CNRS/IN2P3 (France); MON, Rosatom; RFBR (Russia); CNPq; FAPERJ; FAPESP; FUNDUNESP (Brazil); DAE; DST (India); Colciencias (Colombia); CONACyT (Mexico); NRF (Korea); FOM (The Netherlands); STFC; Royal Society (United Kingdom); MSMT; GACR (Czech Republic); BMBF; DFG (Germany); SFI (Ireland); Swedish Research Council (Sweden); CAS; CNSF (China) FX We thank the Fermilab Beams Division for designing and providing the special beam conditions for the data taking. In particular we thank N. Mokhov, S. Drozhdin, M. Martens and A. Valishev for their important contributions to the forward proton detector (FPD). We also thank J. Soffer and M. Islam for useful discussions. We thank the staffs at Fermilab and collaborating institutions, and acknowledge support from the U.S. Department of Energy (DOE and National Science Foundation (NSF) (USA); CEA and CNRS/IN2P3 (France); MON, Rosatom and RFBR (Russia); CNPq, FAPERJ, FAPESP and FUNDUNESP (Brazil); DAE and DST (India); Colciencias (Colombia); CONACyT (Mexico); NRF (Korea); FOM (The Netherlands); STFC and the Royal Society (United Kingdom); MSMT and GACR (Czech Republic); BMBF and DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden); and CAS and CNSF (China). NR 25 TC 20 Z9 20 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 27 PY 2012 VL 86 IS 1 AR 012009 DI 10.1103/PhysRevD.86.012009 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 980YF UT WOS:000306929400001 ER PT J AU Abdel-Naby, SA Pindzola, MS Colgan, J AF Abdel-Naby, Sh. A. Pindzola, M. S. Colgan, J. TI Nuclear-recoil differential cross sections for the double photoionization of helium SO PHYSICAL REVIEW A LA English DT Article ID DISTRIBUTIONS; HE AB The time-dependent close-coupling method for the double photoionization of atoms is extended to compute fully differential nuclear-recoil cross sections. Excellent agreement is found between our calculated double-photoionization total cross sections of He and the measurements at all photon energies. Differential cross-section results are presented for the single-photon double ionization of He at photon energies of 99, 125, and 225 eV. The single-differential cross-section results at 99 eV agree with previous theory and experiment. Symmetric momentum distributions are found in the plane perpendicular to the polarization direction, while dipolelike momentum distributions are found in the other two planes. The variation of the nuclear-recoil triple-differential cross sections of He2+ with the nuclear-recoil momenta are presented. The total cross sections for the nuclear-recoil of He2+ match the corresponding ones for the double electron ejection of He for all the studied photon energies. C1 [Abdel-Naby, Sh. A.; Pindzola, M. S.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Colgan, J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Abdel-Naby, SA (reprint author), Auburn Univ, Dept Phys, Auburn, AL 36849 USA. RI Abdel-Naby, Shahin/G-1295-2014; OI Abdel-Naby, Shahin/0000-0002-9268-3587; Colgan, James/0000-0003-1045-3858 FU US Department of Energy; US National Science Foundation; NNSA of the US DOE [DE-AC206NA25396] FX This work was supported in part by grants from the US Department of Energy and the US National Science Foundation. The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC for the NNSA of the US DOE under contract No. DE-AC206NA25396. Computational work was carried out at the National Energy Research Scientific Computing Center in Oakland, California, and the National Institute for Computational Sciences in Knoxville, Tennessee. NR 12 TC 4 Z9 4 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD JUL 27 PY 2012 VL 86 IS 1 AR 013424 DI 10.1103/PhysRevA.86.013424 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 980VC UT WOS:000306921300007 ER PT J AU Zhou, JF Chowdhury, DR Zhao, RK Azad, AK Chen, HT Soukoulis, CM Taylor, AJ O'Hara, JF AF Zhou, Jiangfeng Chowdhury, Dibakar Roy Zhao, Rongkuo Azad, Abul K. Chen, Hou-Tong Soukoulis, Costas M. Taylor, Antoinette J. O'Hara, John F. TI Terahertz chiral metamaterials with giant and dynamically tunable optical activity SO PHYSICAL REVIEW B LA English DT Article ID NEGATIVE REFRACTION; INDEX; POLARIZER AB We demonstrated giant optical activity using a chiral metamaterial composed of an array of conjugated bilayer metal structures. The chiral metamaterials were further integrated with photoactive inclusions to accomplish a wide tuning range of the optical activity through illumination with near-infrared light. The strong chirality observed in our metamaterials results in a negative refractive index, which can also be well controlled by the near-infrared optical excitation. C1 [Zhou, Jiangfeng; Chowdhury, Dibakar Roy; Azad, Abul K.; Chen, Hou-Tong; Taylor, Antoinette J.; O'Hara, John F.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Zhao, Rongkuo; Soukoulis, Costas M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Zhao, Rongkuo; Soukoulis, Costas M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Zhou, JF (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM jiangfengz@usf.edu; chenht@lanl.gov; oharaj@okstate.edu RI Chen, Hou-Tong/C-6860-2009; Zhao, Rongkuo/B-5731-2008; Zhou, Jiangfeng/D-4292-2009; Soukoulis, Costas/A-5295-2008 OI Azad, Abul/0000-0002-7784-7432; Chen, Hou-Tong/0000-0003-2014-7571; Zhou, Jiangfeng/0000-0002-6958-3342; FU Los Alamos National Laboratory LDRD; US Department of Energy [DE-AC52-6NA25396, DE-AC02-07CH11358]; US Office of Naval Research [N000141010925]; Center for Integrated Nanotechnologies; Office of Basic Energy Sciences Nanoscale Science Research Center FX We acknowledge support from the Los Alamos National Laboratory LDRD Program. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences Nanoscale Science Research Center operated jointly by Los Alamos and Sandia National Laboratories. Los Alamos National Laboratory, an affirmative action, equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under Contract No. DE-AC52-6NA25396. Work at Ames Laboratory was supported by the Department of Energy (Basic Energy Sciences) under ContractNo. DE-AC02-07CH11358. This was partially supported by the US Office of Naval Research, Award No. N000141010925 NR 21 TC 74 Z9 77 U1 7 U2 64 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 27 PY 2012 VL 86 IS 3 AR 035448 DI 10.1103/PhysRevB.86.035448 PG 6 WC Physics, Condensed Matter SC Physics GA 980WF UT WOS:000306924200007 ER PT J AU Weng, ESS Luo, YQ Wang, WL Wang, H Hayes, DJ McGuire, AD Hastings, A Schimel, DS AF Weng, Ensheng S. Luo, Y. Q. Wang, Weile Wang, Han Hayes, Daniel J. McGuire, A. David Hastings, Alan Schimel, David S. TI Ecosystem carbon storage capacity as affected by disturbance regimes: A general theoretical model SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID NET PRIMARY PRODUCTIVITY; OLD-GROWTH FORESTS; CLIMATE-CHANGE; CONTINENTAL-SCALE; NITROGEN STORAGE; PONDEROSA PINE; GLOBAL-MODEL; FIRE; BALANCE; LANDSCAPE AB Disturbances have been recognized as a key factor shaping terrestrial ecosystem states and dynamics. A general model that quantitatively describes the relationship between carbon storage and disturbance regime is critical for better understanding large scale terrestrial ecosystem carbon dynamics. We developed a model (REGIME) to quantify ecosystem carbon storage capacities (E[x]) under varying disturbance regimes with an analytical solution E[x] =U . tau(E) . lambda/lambda+s tau(1), where U is ecosystem carbon influx, tau(E) is ecosystem carbon residence time, and tau(1) is the residence time of the carbon pool affected by disturbances (biomass pool in this study). The disturbance regime is characterized by the mean disturbance interval (lambda) and the mean disturbance severity (s). It is a Michaelis-Menten-type equation illustrating the saturation of carbon content with mean disturbance interval. This model analytically integrates the deterministic ecosystem carbon processes with stochastic disturbance events to reveal a general pattern of terrestrial carbon dynamics at large scales. The model allows us to get a sense of the sensitivity of ecosystems to future environmental changes just by a few calculations. According to the REGIME model, for example, approximately 1.8 Pg C will be lost in the high-latitude regions of North America (>45 degrees N) if fire disturbance intensity increases around 5.7 time the current intensity to the end of the twenty-first century, which will require around 12% increases in net primary productivity (NPP) to maintain stable carbon stocks. If the residence time decreased 10% at the same time additional 12.5% increases in NPP are required to keep current C stocks. The REGIME model also lays the foundation for analytically modeling the interactions between deterministic biogeochemical processes and stochastic disturbance events. C1 [Weng, Ensheng S.; Luo, Y. Q.] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Wang, Weile] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Wang, Han] Univ Oklahoma, Sch Elect & Comp Engn, Norman, OK 73019 USA. [Hayes, Daniel J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [McGuire, A. David] Univ Alaska, US Geol Survey, Alaska Cooperat Fish & Wildlife Res Unit, Fairbanks, AK 99701 USA. [Hastings, Alan] Univ Calif Davis, Dept Environm Sci & Policy, Davis, CA 95616 USA. [Schimel, David S.] NEON Inc, Boulder, CO USA. RP Weng, ESS (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. EM wengensheng@gmail.com RI Weng, Ensheng/E-4390-2012; Hayes, Daniel/B-8968-2012 OI Weng, Ensheng/0000-0002-1858-4847; FU Office of Science, Department of Energy [DE-FG02-006ER64319]; Midwestern Regional Center of the National Institute for Climatic Change Research at Michigan Technological University [DE-FC02-06ER64158]; National Science Foundation [DBI 0850290, DEB 0840964, DEB 0743778, EPS 0919466] FX This research was financially supported by the Office of Science, Department of Energy (grant DE-FG02-006ER64319); by the Midwestern Regional Center of the National Institute for Climatic Change Research at Michigan Technological University under award DE-FC02-06ER64158; and by the National Science Foundation under DBI 0850290, DEB 0840964, DEB 0743778, and EPS 0919466. We thank Nikola P. Petrov of the University of Oklahoma, Jeremy W. Lichstein of the University of Florida, and Anping Chen of Princeton University for their helpful comments. NR 75 TC 12 Z9 12 U1 1 U2 44 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-8953 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD JUL 27 PY 2012 VL 117 AR G03014 DI 10.1029/2012JG002040 PG 15 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 980RB UT WOS:000306909600001 ER EF