FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Arbanas, G Dunn, ME Williams, ML AF Arbanas, G. Dunn, M. E. Williams, M. L. TI Inverse Sensitivity/Uncertainty Methods Development for Nuclear Fuel Cycle Applications SO NUCLEAR DATA SHEETS LA English DT Article AB The Standardized Computer Analyses for Licensing Evaluation (SCALE) software package developed at the Oak Ridge National Laboratory includes codes that propagate uncertainties available in the nuclear data libraries to compute uncertainties in nuclear application performance parameters. We report on our recent efforts to extend this capability to develop an inverse sensitivity/uncertainty (IS/U) methodology that identifies the improvements in nuclear data that are needed to compute application responses within prescribed tolerances, while minimizing the cost of such data improvements. We report on our progress to date and present a simple test case for our method. Our methodology is directly applicable to thermal and intermediate neutron energy systems because it addresses the implicit neutron resonance self-shielding effects that are essential to accurate modeling of thermal and intermediate systems. This methodology is likely to increase the efficiency of nuclear data efforts. C1 [Arbanas, G.; Dunn, M. E.; Williams, M. L.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. RP Arbanas, G (reprint author), Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. EM arbanasg@ornl.gov FU U.S. Department of Energy [DE-AC05-00OR22725] FX The authors are indebted to Drs. Brad Rearden, Clayton Webster, Luiz Leal, and Dorothea Wiarda of ORNL for useful discussions. Notice: This abstract has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a 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 4 TC 1 Z9 1 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 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD APR PY 2014 VL 118 BP 374 EP 377 DI 10.1016/j.nds.2014.04.084 PG 4 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400083 ER PT J AU Zhu, T Rochman, D Vasiliev, A Ferroukhi, H Wieselquist, W Pautz, A AF Zhu, T. Rochman, D. Vasiliev, A. Ferroukhi, H. Wieselquist, W. Pautz, A. TI Comparison of Two Approaches for Nuclear Data Uncertainty Propagation in MCNPX for Selected Fast Spectrum Critical Benchmarks SO NUCLEAR DATA SHEETS LA English DT Article AB Nuclear data uncertainty propagation based on stochastic sampling ( SS) is becoming more attractive while leveraging modern computer power. Two variants of the SS approach are compared in this paper. The Total Monte Carlo (TMC) method by the Nuclear Research and Consultancy Group (NRG) generates perturbed ENDF-6-formatted nuclear data by varying nuclear reaction model parameters. At Paul Scherrer Institute (PSI) the Nuclear data Uncertainty Stochastic Sampling (NUSS) system generates perturbed ACE-formatted nuclear data files by applying multigroup nuclear data covariances onto pointwise ACE-formatted nuclear data. Uncertainties of Pu-239 and U-235 from ENDF/B-VII.1, ZZ-SCALE6/COVA-44G and TENDL covariance libraries are considered in NUSS and propagated in MCNPX calculations for well-studied Jezebel and Godiva fast spectrum critical benchmarks. The corresponding uncertainty results obtained by TMC are compared with NUSS results and the deterministic Sensitivity/Uncertainty method of TSUNAMI-3D from SCALE6 package is also applied to serve as a separate verification. The discrepancies in the propagated Pu-239 and U-235 uncertainties due to method and covariance differences are discussed. C1 [Zhu, T.; Vasiliev, A.; Ferroukhi, H.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Rochman, D.] Nucl Res & Consultancy Grp, NL-1755 LE Petten, Netherlands. [Wieselquist, W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Pautz, A.] Ecole Polytech Fed Lausanne, Lausanne, Switzerland. RP Zhu, T (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland. EM ting.zhu@psi.ch RI EPFL, Physics/O-6514-2016; OI Zhu, Ting/0000-0002-9427-2191; Rochman, Dimitri/0000-0002-5089-7034 FU swissnuclear; nuclear energy section of the Swiss electricity companies FX This work was partly supported by swissnuclear, the nuclear energy section of the Swiss electricity companies. NR 11 TC 7 Z9 7 U1 0 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD APR PY 2014 VL 118 BP 388 EP 391 DI 10.1016/j.nds.2014.04.088 PG 4 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400087 ER PT J AU Briggs, JB Bess, JD Gulliford, J AF Briggs, J. B. Bess, J. D. Gulliford, J. TI Integral Benchmark Data for Nuclear Data Testing Through the ICSBEP & IRPhEP SO NUCLEAR DATA SHEETS LA English DT Article AB The status of the International Criticality Safety Benchmark Evaluation Project (ICSBEP) and International Reactor Physics Experiment Evaluation Project (IRPhEP) was last discussed directly with the nuclear data community at ND2007. Since ND2007, integral benchmark data that are available for nuclear data testing have increased significantly. The status of the ICSBEP and the IRPhEP is discussed and selected benchmark configurations that have been added to the ICSBEP and IRPhEP Handbooks since ND2007 are highlighted. C1 [Briggs, J. B.; Bess, J. D.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Gulliford, J.] NEA, OECD, F-92130 Issy Les Moulineaux, France. RP Briggs, JB (reprint author), Idaho Natl Lab, 2525 North Fremont, Idaho Falls, ID 83415 USA. EM j.briggs.@inl.gov OI Bess, John/0000-0002-4936-9103 FU U.S. Department of Energy [DE-AC07-05ID14517] FX The ICSBEP and IRPhEP are collaborative efforts that involve numerous scientists, engineers, administrative support personnel, and program sponsors from 24 different countries. The authors would like to acknowledge the efforts of all of these dedicated individuals without whom the ICSBEP and IRPhEP would not be possible. The authors would especially like to acknowledge the evaluators and reviewers of the benchmark data that were published since the ND2007, which are highlighted in this paper. This paper was prepared at Idaho National Laboratory for the U.S. Department of Energy under Contract Number (DE-AC07-05ID14517). NR 3 TC 1 Z9 1 U1 0 U2 0 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 APR PY 2014 VL 118 BP 396 EP 400 DI 10.1016/j.nds.2014.04.090 PG 5 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400089 ER PT J AU Kahler, AC MacFarlane, RE Chadwick, MB AF Kahler, A. C. MacFarlane, R. E. Chadwick, M. B. TI Integral Data Testing of ENDF/B-VII.1 Files - Success Stories and Need to Improve Stories SO NUCLEAR DATA SHEETS LA English DT Article ID NUCLEAR-DATA; TECHNOLOGY; SCIENCE AB We review the results of ENDF/B-VII.1 cross section data testing with International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark assemblies. Comparisons with the previous, ENDF/B-VII.0, file are made, noting where the new data perform better and also noting areas of continuing weakness that require further experimental and theoretical work. C1 [Kahler, A. C.; MacFarlane, R. E.; Chadwick, M. B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kahler, AC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM akahler@lanl.gov FU U.S. Department of Energy [DE-AC-PN06NA25396] FX LANL is managed by Los Alamos National Security, LLC for the U.S. Department of Energy under Contract No. DE-AC-PN06NA25396. NR 7 TC 1 Z9 1 U1 0 U2 0 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 APR PY 2014 VL 118 BP 410 EP 413 DI 10.1016/j.nds.2014.04.093 PG 4 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400092 ER PT J AU Arcilla, R Brown, D Herman, M AF Arcilla, R. Brown, D. Herman, M. TI Continuous Integration and Deployment Software to Automate Nuclear Data Verification and Validation SO NUCLEAR DATA SHEETS LA English DT Article ID TECHNOLOGY; SCIENCE AB We developed and implemented a highly-automated nuclear data quality assurance system ADVANCE (Automated Data Verification and Assurance for Nuclear Calculations Enhancement) which is based on the continuous integration and deployment concept that originated from the software industry. ADVANCE uses readily available open-source software components to deliver its powerful functionalities. This paper presents in detail the system's data verification functionalities which are being used to ensure the quality of every new evaluation submitted to the NNDC. Also discussed are the current development efforts to incorporate data validation capabilities into the system. C1 [Arcilla, R.; Brown, D.; Herman, M.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP Arcilla, R (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. EM arcilla@bnl.gov FU Office of Nuclear Physics, Office of Science of the U.S. Department of Energy [DE-AC02-98CH10886]; Brookhaven Science Associates, LLC FX The authors sincerely thank the following LLNL colleagues for their valuable advice and assistance especially at the early stage of the project: C. Mattoon, B. Beck, N. Summers, M.A. Descalle, D. Heinrichs and C. Lee. This work was funded by the Office of Nuclear Physics, Office of Science of the U.S. Department of Energy, under Contract No. DE-AC02-98CH10886 with Brookhaven Science Associates, LLC. NR 12 TC 1 Z9 1 U1 1 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD APR PY 2014 VL 118 BP 422 EP 425 DI 10.1016/j.nds.2014.04.096 PG 4 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400095 ER PT J AU Bess, JD Briggs, JB Marshall, MA AF Bess, J. D. Briggs, J. B. Marshall, M. A. TI Identification of Possible Discrepancies in HEU Metal Benchmarks SO NUCLEAR DATA SHEETS LA English DT Article ID NUCLEAR-DATA; TECHNOLOGY; SCIENCE AB The experiment from which benchmark specifications of "Lady Godiva" were derived consisted of nested hemispheres forming a bare sphere of highly enriched uranium (HEU). That experiment was performed in the early 1950s and the critical configuration was later (1995) evaluated and published in the International Handbook of Evaluated Criticality Safety Benchmark Experiments. The benchmark eigenvalue is reported as 1.000 +/- 0.001, which is representative of a high-quality benchmark experiment. Our current neutronic codes and cross section data are tailored to provide qualitative results that concur with the GODIVA I benchmark. Since 1995, additional high-fidelity HEU metal benchmark data have been evaluated and published. Calculated results from many of those benchmarks are consistently low. While there is generally good agreement between calculated and benchmark eigenvalues for spherical and slab geometries, cylindrical configurations tend to calculate low. C1 [Bess, J. D.; Briggs, J. B.; Marshall, M. A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Bess, JD (reprint author), Idaho Natl Lab, 2525 North Fremont, Idaho Falls, ID 83415 USA. EM john.bess@inl.gov OI Bess, John/0000-0002-4936-9103 FU U.S. Department of Energy [DE-AC07-05ID14517).] FX The authors would like to acknowledge the time and effort of the many individuals, companies, and countries that have supported the experiments and subsequent benchmark evaluation for the ICSBEP and IRPhEP Handbooks; those benchmark experiments provide the backbone for our neutronic methods, codes, and data. This paper was prepared at the Idaho National Laboratory for the U.S. Department of Energy under Contract Number (DE-AC07-05ID14517). NR 11 TC 0 Z9 0 U1 0 U2 0 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 APR PY 2014 VL 118 BP 466 EP 468 DI 10.1016/j.nds.2014.04.108 PG 3 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400107 ER PT J AU Marshall, MA Bess, JD AF Marshall, M. A. Bess, J. D. TI Evaluation of Delayed Critical ORNL Unreflected HEU Metal Sphere (ORSphere) SO NUCLEAR DATA SHEETS LA English DT Article AB In 1971 and 1972 experimenters at the Oak Ridge Critical Experiment Facility performed critical experiments using an unreflected metal sphere of highly enriched uranium (HEU). The sphere used for the criticality experiments, originally used for neutron leakage spectrum measurements by General Atomic Company, consisted of three main parts and were assembled with a vertical assembly machine. Two configurations were tested. The first was nearly spherical with a nominal radius of 3.467 inches and had a reactivity of 68.1 +/- 2.0 cents. The sphere parts were then re-machined as a sphere with a nominal radius of 3.4425 inches. This assembly had a reactivity of -23 cents. The method, dimensions, and uncertainty of the critical experiment were extensively recorded and documented. The original purpose of the experiments was for comparison to GODIVA I experiments. The ORNL unreflected HEU Metal Spheres have been evaluated for inclusion in the International Handbook of Evaluated Criticality Safety Benchmark Experiments (scheduled for inclusion in the September 2013 edition). C1 [Marshall, M. A.; Bess, J. D.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Marshall, M. A.] Ctr Space Nucl Res, Idaho Falls, ID 83415 USA. RP Marshall, MA (reprint author), Idaho Natl Lab, 2525 North Fremont, Idaho Falls, ID 83415 USA. EM margaret.marshall@inl.gov OI Bess, John/0000-0002-4936-9103 NR 6 TC 1 Z9 1 U1 0 U2 0 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 APR PY 2014 VL 118 BP 469 EP 471 DI 10.1016/j.nds.2014.04.109 PG 3 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400108 ER PT J AU Chapelle, A Casoli, P Authier, N Myers, W Hutchinson, J Sood, A Rooney, B AF Chapelle, A. Casoli, P. Authier, N. Myers, W. Hutchinson, J. Sood, A. Rooney, B. TI Joint Neutron Noise Measurements on Metallic Reactor Caliban SO NUCLEAR DATA SHEETS LA English DT Article AB Caliban is a benchmarked, bare metallic reactor, operated by the Criticality, Neutron Science and Measurement Department. A joint neutron noise measurement week was organized with a team from the LANL in June 2013. Its aim was to perform multiplication measurements from different subcritical configurations, to build an analysis of the uncertainties of this kind of experiments. The first results of this week are presented here. C1 [Chapelle, A.; Casoli, P.; Authier, N.] CEA Valduc, F-21120 Is Sur Tille, France. [Myers, W.; Hutchinson, J.; Sood, A.; Rooney, B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chapelle, A (reprint author), CEA Valduc, F-21120 Is Sur Tille, France. EM amaury.chapelle@eamea.fr NR 6 TC 0 Z9 0 U1 0 U2 0 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 APR PY 2014 VL 118 BP 558 EP 560 DI 10.1016/j.nds.2014.04.134 PG 3 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400133 ER PT J AU Navarro, J Ring, TA Nigg, DW AF Navarro, J. Ring, T. A. Nigg, D. W. TI A Feasibility and Optimization Study to Design a Nondestructive ATR Fuel Permanent Scanning System to Determine Fuel Burnup SO NUCLEAR DATA SHEETS LA English DT Article AB The goal of this project was to develop the best available non-destructive technique to determine burnup of the Advanced Test Reactor (ATR) fuels at Idaho National Laboratory, as well as to make a recommendation regarding the feasibility of implementing a permanent fuel scanning system at the ATR canal. The study determined that useful spectra for validation and fuel burnup predictions can be obtained in-situ at the ATR canal using three different detectors. In addition, the study established that calibration curves can be created to predict ATR fuel burnup onsite. The study also established that in order to design a rugged system that can stand the daily operations at the ATR canal a LaBr3 scintillator can be used effectively if deconvolution process is applied to increase the spectra resolution. C1 [Navarro, J.; Nigg, D. W.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Navarro, J.; Ring, T. A.] Univ Utah, UNEP, Salt Lake City, UT 84112 USA. RP Navarro, J (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM jorge.navarro@inl.gov NR 2 TC 0 Z9 0 U1 1 U2 1 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 APR PY 2014 VL 118 BP 571 EP 574 DI 10.1016/j.nds.2014.04.138 PG 4 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400137 ER PT J AU Gould, CR Sharapov, EI Sonzogni, AA AF Gould, C. R. Sharapov, E. I. Sonzogni, A. A. TI Nuclear Data and the Oklo Natural Nuclear Reactors SO NUCLEAR DATA SHEETS LA English DT Article ID CONSTANTS AB Data from the Oklo natural nuclear reactors have enabled some of the most sensitive terrestrial tests of time variation of dimensionless fundamental constants. The constraints on variation of alpha EM, the fine structure constant are particular good, but depend on the reliability of the nuclear data, and on the reliability of the modeling of the reactor environment. We briefly review the history of these tests and discuss our recent work in 1) attempting to better bound the temperatures at which the reactors operated, 2) investigating whether the gamma-ray fluxes in the reactors could have contributed to changing lutetium isotopic abundances and 3) determining whether lanthanum isotopic data could provide an alternate estimate of the neutron fluence. C1 [Gould, C. R.] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Sharapov, E. I.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. [Sonzogni, A. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP Gould, CR (reprint author), N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. EM crg@ncsu.edu FU US Department of Energy, Office of Nuclear Physics [DE-FG02- 97ER41041]; Brookhaven Science Associates (NNDC) [DE-AC02-98CH10886] FX This work was supported by the US Department of Energy, Office of Nuclear Physics, under Grant No. DE-FG02- 97ER41041 (NC State University), and under contract No. DE-AC02-98CH10886 with Brookhaven Science Associates (NNDC). NR 18 TC 0 Z9 0 U1 4 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD APR PY 2014 VL 118 BP 585 EP 587 DI 10.1016/j.nds.2014.04.142 PG 3 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400141 ER PT J AU Palmiotti, G Salvatores, M Aliberti, G Herman, M Hoblit, SD McKnight, RD Oblozinsky, P Talou, P Hale, GM Hiruta, H Kawano, T Mattoon, CM Nobre, GPA Palumbo, A Pigni, M Rising, ME Yang, WS Kahler, AC AF Palmiotti, G. Salvatores, M. Aliberti, G. Herman, M. Hoblit, S. D. McKnight, R. D. Oblozinsky, P. Talou, P. Hale, G. M. Hiruta, H. Kawano, T. Mattoon, C. M. Nobre, G. P. A. Palumbo, A. Pigni, M. Rising, M. E. Yang, W. -S. Kahler, A. C. TI Combined Use of Integral Experiments and Covariance Data SO NUCLEAR DATA SHEETS LA English DT Article ID NUCLEAR-DATA VALIDATION; CROSS-SECTIONS; IRRADIATION EXPERIMENTS; ADJUSTMENT; PARAMETERS; SYSTEMS; UNCERTAINTY; TECHNOLOGY; ACTINIDES; SCIENCE AB In the frame of a US-DOE sponsored project, ANL, BNL, INL and LANL have performed a joint multidisciplinary research activity in order to explore the combined use of integral experiments and covariance data with the objective to both give quantitative indications on possible improvements of the ENDF evaluated data files and to reduce at the same time crucial reactor design parameter uncertainties. Methods that have been developed in the last four decades for the purposes indicated above have been improved by some new developments that benefited also by continuous exchanges with international groups working in similar areas. The major new developments that allowed significant progress are to be found in several specific domains: a) new science-based covariance data; b) integral experiment covariance data assessment and improved experiment analysis, e.g., of sample irradiation experiments; c) sensitivity analysis, where several improvements were necessary despite the generally good understanding of these techniques, e.g., to account for fission spectrum sensitivity; d) a critical approach to the analysis of statistical adjustments performance, both a priori and a posteriori; e) generalization of the assimilation method, now applied for the first time not only to multigroup cross sections data but also to nuclear model parameters (the "consistent" method). This article describes the major results obtained in each of these areas; a large scale nuclear data adjustment, based on the use of approximately one hundred high-accuracy integral experiments, will be reported along with a significant example of the application of the new "consistent" method of data assimilation. C1 [Palmiotti, G.; Salvatores, M.; Hiruta, H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Salvatores, M.] Commissariat Energie Atom, Drn Cadarache, France. [Aliberti, G.; McKnight, R. D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Herman, M.; Hoblit, S. D.; Oblozinsky, P.; Nobre, G. P. A.; Palumbo, A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. [Talou, P.; Hale, G. M.; Kawano, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mattoon, C. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Pigni, M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Yang, W. -S.] Purdue Univ, W Lafayette, IN 47907 USA. RP Palmiotti, G (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM pinopalm@sbcglobal.net OI Yang, Won Sik/0000-0003-0734-6023 FU U.S. Department of Energy, Office of Nuclear Energy and Office of Science, under DOE Idaho Operations Office [DE-AC07-05ID14517]; Office of Nuclear Physics, Office of Science of the U.S. Department of Energy [DE-AC02-98CH10886]; Brookhaven Science Associates, LLC. FX Work at INL supported by the U.S. Department of Energy, Office of Nuclear Energy and Office of Science, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. The work at BNL was sponsored by the Office of Nuclear Physics, Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-98CH10886 with Brookhaven Science Associates, LLC. NR 85 TC 5 Z9 5 U1 1 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD APR PY 2014 VL 118 BP 596 EP 636 DI 10.1016/j.nds.2014.04.145 PG 41 WC Physics, Nuclear SC Physics GA AY6WU UT WOS:000347704400144 ER PT J AU Butland, G Saini, A Trotter, V Price, M He, J Kuehl, J Wetmore, K Liu, N Zane, G Fels, S Juba, T Shatsky, M Arkin, A Chandonia, JM Wall, J Deutschbauer, A AF Butland, Gareth Saini, Avneesh Trotter, Valentine Price, Morgan He, Jennifer Kuehl, Jennifer Wetmore, Kelly Liu, Nancy Zane, Grant Fels, Samuel Juba, Thomas Shatsky, Maxim Arkin, Adam Chandonia, John-Marc Wall, Judy Deutschbauer, Adam TI Novel aspects of iron sulfur cluster biosynthesis in sulfate reducing bacteria SO FASEB JOURNAL LA English DT Meeting Abstract CT Experimental Biology Meeting CY APR 26-30, 2014 CL San Diego, CA SP Cenveo, LI COR, Wiley, Mead Johnson Pediat Nutr Inst, IPRECIO, F1000 Res, Amer Assoc Anatomists, Amer Physiol Soc, Amer Soc Biochem & Mol Biol, Amer Soc Investigat Pathol, Amer Soc Nutr, Amer Soc Pharmacol & Expt Therapeut C1 [Butland, Gareth; Saini, Avneesh; Trotter, Valentine; Price, Morgan; He, Jennifer; Kuehl, Jennifer; Wetmore, Kelly; Liu, Nancy; Shatsky, Maxim; Arkin, Adam; Chandonia, John-Marc; Deutschbauer, Adam] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zane, Grant; Fels, Samuel; Juba, Thomas; Wall, Judy] Univ Missouri, Columbia, MO USA. RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 NR 0 TC 0 Z9 0 U1 0 U2 2 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 768.17 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0MP UT WOS:000346646704195 ER PT J AU Cooper, P Trego, K Groesser, T Parplys, A Cmielova, J Wiese, C Sung, P Campisi, J AF Cooper, Priscilla Trego, Kelly Groesser, Torsten Parplys, Ann Cmielova, Jana Wiese, Claudia Sung, Patrick Campisi, Judith TI Repair pathway crosstalk in genome stability maintenance through BRCA1/2-mediated homologous recombination SO FASEB JOURNAL LA English DT Meeting Abstract CT Experimental Biology Meeting CY APR 26-30, 2014 CL San Diego, CA SP Cenveo, LI COR, Wiley, Mead Johnson Pediat Nutr Inst, IPRECIO, F1000 Res, Amer Assoc Anatomists, Amer Physiol Soc, Amer Soc Biochem & Mol Biol, Amer Soc Investigat Pathol, Amer Soc Nutr, Amer Soc Pharmacol & Expt Therapeut C1 [Campisi, Judith] Buck Inst Res Aging, Novato, CA USA. [Cooper, Priscilla; Trego, Kelly; Groesser, Torsten; Parplys, Ann; Cmielova, Jana; Wiese, Claudia; Campisi, Judith] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Life Sci Div, Berkeley, CA 94720 USA. [Sung, Patrick] Yale Univ, New Haven, CT USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 352.1 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0MP UT WOS:000346646700454 ER PT J AU Haendel, M Mungall, C AF Haendel, Melissa Mungall, Chris TI Computing on the anatomical form for disease discovery SO FASEB JOURNAL LA English DT Meeting Abstract CT Experimental Biology Meeting CY APR 26-30, 2014 CL San Diego, CA SP Cenveo, LI COR, Wiley, Mead Johnson Pediat Nutr Inst, IPRECIO, F1000 Res, Amer Assoc Anatomists, Amer Physiol Soc, Amer Soc Biochem & Mol Biol, Amer Soc Investigat Pathol, Amer Soc Nutr, Amer Soc Pharmacol & Expt Therapeut C1 [Mungall, Chris] Lawrence Berkeley Natl Lab, Berkeley, OR USA. [Haendel, Melissa] Oregon Hlth & Sci Univ, DMICE, Portland, OR 97201 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 338.1 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0MP UT WOS:000346646700413 ER PT J AU Himmler, M Bommineni, G Metz, T Tonge, P Seeliger, J AF Himmler, Megan Bommineni, Gopal Metz, Thomas Tonge, Peter Seeliger, Jessica TI Elucidating biosynthesis of the outer membrane lipid phthiocerol dimycocerosate by Mycobacterium tuberculosis PapA5 SO FASEB JOURNAL LA English DT Meeting Abstract CT Experimental Biology Meeting CY APR 26-30, 2014 CL San Diego, CA SP Cenveo, LI COR, Wiley, Mead Johnson Pediat Nutr Inst, IPRECIO, F1000 Res, Amer Assoc Anatomists, Amer Physiol Soc, Amer Soc Biochem & Mol Biol, Amer Soc Investigat Pathol, Amer Soc Nutr, Amer Soc Pharmacol & Expt Therapeut C1 [Metz, Thomas] Pacific NW Natl Lab, Richland, WA 99352 USA. [Himmler, Megan; Bommineni, Gopal; Tonge, Peter; Seeliger, Jessica] SUNY Stony Brook, Stony Brook, NY 11794 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 768.13 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0MP UT WOS:000346646704192 ER PT J AU Marchetta, C Hamner, H AF Marchetta, Claire Hamner, Heather TI Blood folate concentrations among women of childbearing age by race/ethnicity and acculturation, NHANES 2001-2010 SO FASEB JOURNAL LA English DT Meeting Abstract CT Experimental Biology Meeting CY APR 26-30, 2014 CL San Diego, CA SP Cenveo, LI COR, Wiley, Mead Johnson Pediat Nutr Inst, IPRECIO, F1000 Res, Amer Assoc Anatomists, Amer Physiol Soc, Amer Soc Biochem & Mol Biol, Amer Soc Investigat Pathol, Amer Soc Nutr, Amer Soc Pharmacol & Expt Therapeut C1 [Marchetta, Claire; Hamner, Heather] Ctr Dis Control, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. [Marchetta, Claire] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 130.5 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0MP UT WOS:000346646700071 ER PT J AU Speed, C Wiese, C Parplys, A Hatherill, JR AF Speed, Clayton Wiese, Claudia Parplys, Ann Hatherill, J. Robert TI Investigating the role of DNA repair enzymes in DNA replication and recombination SO FASEB JOURNAL LA English DT Meeting Abstract CT Experimental Biology Meeting CY APR 26-30, 2014 CL San Diego, CA SP Cenveo, LI COR, Wiley, Mead Johnson Pediat Nutr Inst, IPRECIO, F1000 Res, Amer Assoc Anatomists, Amer Physiol Soc, Amer Soc Biochem & Mol Biol, Amer Soc Investigat Pathol, Amer Soc Nutr, Amer Soc Pharmacol & Expt Therapeut C1 [Speed, Clayton; Hatherill, J. Robert] Del Mar Coll, Corpus Christi, TX 78404 USA. [Wiese, Claudia; Parplys, Ann] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 735.3 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0MP UT WOS:000346646704049 ER PT J AU Sosnowska, A Barycki, M Jagiello, K Haranczyk, M Gajewicz, A Kawai, T Suzuki, N Puzyn, T AF Sosnowska, Anita Barycki, Maciej Jagiello, Karolina Haranczyk, Maciej Gajewicz, Agnieszka Kawai, Toru Suzuki, Noriyuki Puzyn, Tomasz TI Predicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure-Property Relationship (QSPR) incorporating the influence of temperature on volatility SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Persistent Organic Pollutants; Enthalpy of vaporization; QSPR; Temperature dependence; Quantum-mechanical descriptors ID POLYCHLORINATED-BIPHENYLS PCBS; RELATIONSHIP 3D-QSPR MODELS; THERMODYNAMIC PROPERTIES; PARTITION-COEFFICIENT; DIPHENYL ETHERS; VAPOR-PRESSURE; QSAR MODELS; DESCRIPTORS; VALIDATION; CONGENERS AB Enthalpy of vaporization (Delta H-vap) is a thermodynamic property associated with the dispersal of Persistent Organic Pollutants (POPS) in the environment. Common problem in the environmental risk assessment studies is the lack of experimentally measured Delta H-vap data. This problem can be solved by employing computational techniques, including QSPR (Quantitative Structure-Property Relationship) modelling to predict properties of interest. Majority of the published QSPR models can be applied to predict the enthalpy of vaporization of compounds from only one, particular group of POPs (i.e., polychlorinated biphenyls, PCBs). We have developed a more general QSPR model to estimate the Delta H-vap values for 1436 polychlorinated and polybrominated benzenes, biphenyls, dibenzo-p-dioxins, dibenzofurans, diphenyl ethers, and naphthalenes. The QSPR model developed with Multiple Linear Regression analysis was characterized by satisfactory goodness-of-fit, robustness and the external predictive performance (R-2 = 0.888, Q(CV)(2) = 0.878, Q(Ext)(2) = 0.842, RMSEC= w5.11, RMSECV = 5.34, RMSEP = 5.74). Moreover, we quantified the temperature dependencies of vapour pressure for twelve groups of POPs based on the predictions at six different temperatures (logP(L(T))). In addition, we found a simple arithmetic relationship between the logarithmic values of vapour pressure in pairs of chloro- and bromo-analogues. By employing this relationship it is possible to estimate logP(L(T)) for any brominated POP at any temperature utilizing only the logP(L(T)) value for its chlorinated analogues. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Sosnowska, Anita; Barycki, Maciej; Jagiello, Karolina; Gajewicz, Agnieszka; Puzyn, Tomasz] Univ Gdansk, Fac Chem, Inst Environm & Human Hlth Protect, Lab Environm Chemometr, PL-80308 Gdansk, Poland. [Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Kawai, Toru; Suzuki, Noriyuki] Natl Inst Environm Studies, Res Ctr Environm Risk, Exposure Assessment Res Sect, Tsukuba, Ibaraki 3058506, Japan. RP Puzyn, T (reprint author), Univ Gdansk, Fac Chem, Inst Environm & Human Hlth Protect, Lab Environm Chemometr, Ul Wita Stwosza 63, PL-80308 Gdansk, Poland. EM t.puzyn@qsar.eu.org RI Haranczyk, Maciej/A-6380-2014; OI Haranczyk, Maciej/0000-0001-7146-9568; Puzyn, Tomasz/0000-0003-0449-8339 FU Japan Society for the Promotion of Science (JSPS); Polish Academy of Science (PAN); Polish Ministry of Science and Higher Education [DS 530-8180-D202-12]; Foundation for Polish Science (FOCUS Programme); U. S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by Japan Society for the Promotion of Science (JSPS) and the Polish Academy of Science (PAN) in frame of joint project: "Developing QSPR-MM combined model to predict persistence and long-range transport potential of PPCPs". The authors (A.S., M.B., K.J., A.G. and T.P.) thank to the Polish Ministry of Science and Higher Education (grant no. DS 530-8180-D202-12) and the Foundation for Polish Science (FOCUS 2010 Programme) for the financial support.; This research was supported in part (to M.H.) by the U. S. Department of Energy under contract DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 40 TC 5 Z9 5 U1 5 U2 24 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD APR PY 2014 VL 87 BP 10 EP 18 DI 10.1016/j.atmosenv.2013.12.036 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AY2QR UT WOS:000347434900002 ER PT J AU Yan, F Winijkul, E Bond, TC Streets, DG AF Yan, Fang Winijkul, Ekbordin Bond, Tami C. Streets, David G. TI Global emission projections of particulate matter (PM): II. Uncertainty analyses of on-road vehicle exhaust emissions SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Emission projection; On-road; Particulate matter (PM); Uncertainty analysis; Monte Carlo simulations ID AIR-QUALITY; AEROSOL EMISSIONS; BLACK CARBON; POLLUTANTS; MODEL; CHINA; TRANSPORTATION; INVENTORIES; SENSITIVITY; POLLUTION AB Estimates of future emissions are necessary for understanding the future health of the atmosphere, designing national and international strategies for air quality control, and evaluating mitigation policies. Emission inventories are uncertain and future projections even more so. thus it is important to quantify the uncertainty inherent in emission projections. This paper is the second in a series that seeks to establish a more mechanistic understanding of future air pollutant emissions based on changes in technology. The first paper in this series (Yan et al., 2011) described a model that projects emissions based on dynamic changes of vehicle fleet, Speciated Pollutant Emission Wizard-Trend, or SPEW-Trend. In this paper, we explore the underlying uncertainties of global and regional exhaust PM emission projections from on-road vehicles in the coming decades using sensitivity analysis and Monte Carlo simulation. This work examines the emission sensitivities due to uncertainties in retirement rate, timing of emission standards, transition rate of high-emitting vehicles called "superemitters", and emission factor degradation rate. It is concluded that global emissions are most sensitive to parameters in the retirement rate function. Monte Carlo simulations show that emission uncertainty caused by lack of knowledge about technology composition is comparable to the uncertainty demonstrated by alternative economic scenarios, especially during the period 2010-2030. (C) 2014 Published by Elsevier Ltd. C1 [Yan, Fang; Winijkul, Ekbordin; Bond, Tami C.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Yan, Fang; Streets, David G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. RP Bond, TC (reprint author), Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. EM yark@illinois.edu RI Bond, Tami/A-1317-2013; OI Bond, Tami/0000-0001-5968-8928; Yan, Fang/0000-0002-1960-0511 FU Clean Air Task Force; U.S. Environmental Protection Agency [RD83428001]; US Department of Energy [DE-AC02-06CH11357] FX This work at University of Illinois at Urbana-Champaign was funded by the Clean Air Task Force, and the U.S. Environmental Protection Agency under grant RD83428001. Argonne National Laboratory is operated by UChicago Argonne, LLC, under contract No. DE-AC02-06CH11357 with the US Department of Energy. NR 48 TC 7 Z9 7 U1 9 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD APR PY 2014 VL 87 BP 189 EP 199 DI 10.1016/j.atmosenv.2014.01.045 PG 11 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AY2QR UT WOS:000347434900022 ER PT J AU Ansong, C Nakayasu, E Tempel, R Heffron, F Smith, R Adkins, J AF Ansong, Charles Nakayasu, Ernesto Tempel, Rebecca Heffron, Fred Smith, Richard Adkins, Joshua TI Elucidation of cellular signaling triggered by Francisella infection by comparative phosphoproteomic analysis SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Nakayasu, Ernesto] Purdue Univ, Bindley Biosci, W Lafayette, IN 47907 USA. [Tempel, Rebecca; Heffron, Fred] Oregon Hlth & Sci Univ, Portland, OR 97201 USA. [Smith, Richard; Adkins, Joshua] Pacific NW Natl Lab, Richland, WA 99352 USA. [Ansong, Charles] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 981.2 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0OG UT WOS:000346651004147 ER PT J AU Demmer, E Gertz, E Rogers, T Hillgonds, D Garrod, M Van Loan, M AF Demmer, Elieke Gertz, Erik Rogers, Tara Hillgonds, Darren Garrod, Marge Van Loan, Marta TI Effect of dairy foods vs. calcium and vitamin-D supplements on bone metabolism: use of 41Ca tracer SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Hillgonds, Darren] Lawrence Livermore Natl Lab, Livermore, CA USA. [Demmer, Elieke; Rogers, Tara] Univ Calif Davis, Grad Grp Nutr Biol, Davis, CA 95616 USA. [Gertz, Erik; Garrod, Marge; Van Loan, Marta] USDA ARS, Western Human Nutr Res Ctr, Davis, CA USA. NR 0 TC 1 Z9 1 U1 0 U2 3 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 1018.12 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0OG UT WOS:000346651000111 ER PT J AU Garcin, E Seeger, F Quintyn, R Tanimoto, A Williams, G Tsutakawa, S Wysocki, V Tainer, J AF Garcin, Elsa Seeger, Franziska Quintyn, Royston Tanimoto, Akiko Williams, Garrett Tsutakawa, Susan Wysocki, Vicki Tainer, John TI It takes two to tango: fine-tuning of soluble guanylate cyclase activity via protein-protein interactions and conformational changes SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Williams, Garrett; Tsutakawa, Susan; Tainer, John] LBNL, Berkeley, CA USA. [Quintyn, Royston; Tanimoto, Akiko; Wysocki, Vicki] Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA. [Garcin, Elsa; Seeger, Franziska] UMBC, Baltimore, MD USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 969.3 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0OG UT WOS:000346651004091 ER PT J AU Sato, T Parreiras, L Ong, I Avanasi, R Zhang, YP Higbee, A Keating, D Coon, J Gasch, A Landick, R AF Sato, Trey Parreiras, Lucas Ong, Irene Avanasi, Ragothaman Zhang, Yaoping Higbee, Alan Keating, David Coon, Joshua Gasch, Audrey Landick, Robert TI Systems-level analysis of xylose fermentation by experimentally-evolved Saccharomyces cerevisiae SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Landick, Robert] Univ Wisconsin, Dept Biochem, Madison, WI 53705 USA. [Higbee, Alan; Coon, Joshua] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Sato, Trey; Parreiras, Lucas; Ong, Irene; Avanasi, Ragothaman; Zhang, Yaoping; Keating, David] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI USA. [Gasch, Audrey] Univ Wisconsin, Genet Lab, Madison, WI 53706 USA. NR 0 TC 0 Z9 0 U1 4 U2 8 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA 981.4 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0OG UT WOS:000346651004149 ER PT J AU Tsang, B Cordero, A Marchetta, C Mulinare, J Mersereau, P Guo, J Qi, YP Berry, R Rosenthal, J Crider, K Hamner, H AF Tsang, Becky Cordero, Amy Marchetta, Claire Mulinare, Joseph Mersereau, Patricia Guo, Jing Qi, Yan Ping Berry, Robert Rosenthal, Jorge Crider, Krista Hamner, Heather TI Assessing the association between the methylenetetrahydrofolate reductase (MTHFR) 677C -> T polymorphism on blood folate concentrations: a systematic review and meta-analysis of trials and observational studies SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Guo, Jing] Acentia, Falls Church, VA USA. [Mulinare, Joseph; Mersereau, Patricia; Qi, Yan Ping] Carter Consulting, Atlanta, GA USA. [Mulinare, Joseph] Ctr Dis Control & Prevent, Atlanta, GA USA. [Cordero, Amy; Marchetta, Claire; Mersereau, Patricia; Guo, Jing; Qi, Yan Ping; Berry, Robert; Rosenthal, Jorge; Crider, Krista; Hamner, Heather] Ctr Dis Control & Prevent, Div Birth Defects & Dev Disabil, Atlanta, GA USA. [Tsang, Becky; Marchetta, Claire; Qi, Yan Ping] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2014 VL 28 IS 1 SU S MA LB311 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA AX0OG UT WOS:000346651004340 ER PT J AU Hannegan, B AF Hannegan, Bryan TI Energy Systems Integration: Innovative Solutions for an Integrated World SO POWER LA English DT Editorial Material C1 [Hannegan, Bryan] NREL, ESI, Golden, CO USA. [Hannegan, Bryan] Elect Power Res Inst, Palo Alto, CA USA. RP Hannegan, B (reprint author), NREL, ESI, Golden, CO USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU TRADEFAIR GROUP PI HOUSTON PA 11000 RICHMOND, STE 500, HOUSTON, TX 77042 USA SN 0032-5929 EI 1936-7791 J9 POWER JI Power PD APR PY 2014 VL 158 IS 4 BP 92 EP 92 PG 1 WC Energy & Fuels SC Energy & Fuels GA AU5YD UT WOS:000345678500018 ER PT J AU Beck, JB Semple, JC Brull, JM Lance, SL Phillips, MM Hoot, SB Meyer, GA AF Beck, James B. Semple, John C. Brull, Justin M. Lance, Stacey L. Phillips, Mai M. Hoot, Sara B. Meyer, Gretchen A. TI GENUS-WIDE MICROSATELLITE PRIMERS FOR THE GOLDENRODS (SOLIDAGO; ASTERACEAE) SO APPLICATIONS IN PLANT SCIENCES LA English DT Article DE Asteraceae; Illumina sequencing; polyploidy; simple sequence repeat (SSR) markers; Solidago ID LOCI AB Premise of the study: Microsatellite primers were developed for studies of polyploid evolution, ecological genetics, conservation genetics, and species delimitation in the genus Solidago. Methods and Results: Illumina sequencing of a shotgun library from S. gigantea identified ca. 1900 putative single-copy loci. Fourteen loci were subsequently shown to be amplifiable, single-copy, and variable in a broad range of Solidago species. Conclusions: The utility of these markers both across the genus and in herbarium specimens of a wide age range will facilitate numerous inter-and intraspecific studies in the ca. 120 Solidago species. C1 [Beck, James B.; Brull, Justin M.] Wichita State Univ, Dept Biol Sci, Wichita, KS 67260 USA. [Semple, John C.] Univ Waterloo, Dept Biol, Waterloo, ON NL2 3G1, Canada. [Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Phillips, Mai M.] Univ Wisconsin, Conservat & Environm Sci Program, Milwaukee, WI 53201 USA. [Hoot, Sara B.] Univ Wisconsin, Dept Biol Sci, Milwaukee, WI 53201 USA. [Meyer, Gretchen A.] Univ Wisconsin Milwaukee, Field Stn, Saukville, WI 53080 USA. RP Beck, JB (reprint author), Wichita State Univ, Dept Biol Sci, 537 Hubbard Hall, Wichita, KS 67260 USA. EM james.beck@wichita.edu RI Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU University of Wisconsin-Milwaukee Research Growth Initiative Grant; Wichita State University (WSU) Department of Biological Sciences; Undergraduate Student Research Grant - WSU Honor's Program; U.S. Department of Energy [DE-FC09-07SR22506] FX The authors thank the curators of WAT, TENN, DUKE, and MO for permission to sample from herbarium specimens. This work was supported by a University of Wisconsin-Milwaukee Research Growth Initiative Grant, the Wichita State University (WSU) Department of Biological Sciences, and by an Undergraduate Student Research Grant awarded by the WSU Honor's Program. Manuscript preparation was partially supported by the U.S. Department of Energy under award no. DE-FC09-07SR22506 to the University of Georgia Research Foundation. NR 11 TC 4 Z9 4 U1 2 U2 9 PU BOTANICAL SOC AMER INC PI ST LOUIS PA PO BOX 299, ST LOUIS, MO 63166-0299 USA SN 2168-0450 J9 APPL PLANT SCI JI Appl. Plant Sci. PD APR PY 2014 VL 2 IS 4 AR 1300093 DI 10.3732/apps.1300093 PG 4 WC Plant Sciences SC Plant Sciences GA AQ1RU UT WOS:000342559500004 ER PT J AU Triamnak, N Brennecka, GL Brown-Shaklee, HJ Rodriguez, MA Cann, DP AF Triamnak, Narit Brennecka, Geoff L. Brown-Shaklee, Harlan J. Rodriguez, Mark A. Cann, David P. TI Phase formation of BaTiO3-Bi(Zn1/2Ti1/2)O-3 perovskite ceramics SO JOURNAL OF THE CERAMIC SOCIETY OF JAPAN LA English DT Article DE Phase evolution; Relaxor; Diffraction; Perovskite ID PIEZOELECTRIC PROPERTIES; THIN-FILMS; TEMPERATURE; TRANSFORMATION; EVOLUTION; RELAXOR; OXIDES; BI2O3 AB Materials based on BiMO3-modified BaTiO3 have been shown to exhibit a number of attractive electrical and electromechanical properties. In addition, many of the materials in this broad family exhibit reduced sintering temperatures for densification as compared to pure BaTiO3. We report here a study of the phase evolution and sintering behavior of Bi(Zn1/2Ti1/2)O-3-modified BaTiO3 materials from low-cost mixed oxide/carbonate precursor powders. By accelerating the reaction of the BaCO3 species and increasing the diffusion kinetics associated with densification, Bi(Zn1/2Ti1/2)O-3 additions reduce the calcination and sintering temperatures by similar to 200 degrees C compared to unmodified BaTiO3. This system provides an example of the important and often overlooked role of additives in the calcination, phase evolution, and densification processes, and provides insight into mechanisms that may be further exploited in this and other important materials systems. We are quite honored to have the opportunity to publish in a special issue dedicated to the life and work of our dear late colleague Prof. Marija Kosec. The topic of this paper is fitting as well, since the work was in large part directly inspired by her work on the importance of reactions and intermediate phases in the alkali niobate systems(1)-4)) and heavily informed by her work on the Pb-based perovskites.(5),6)) Marija appreciated better than most the importance of careful processing in the formation of fine ceramics, and the global ceramics community is grateful to her for all of the lessons that she taught us-and through her papers and her students, continues to teach us. (C) 2014 The Ceramic Society of Japan. All rights reserved. C1 [Triamnak, Narit; Cann, David P.] Oregon State Univ, Sch Mech Ind & Mfg Engn, Corvallis, OR 97331 USA. [Brennecka, Geoff L.; Brown-Shaklee, Harlan J.; Rodriguez, Mark A.] Sandia Natl Labs, Mat Sci & Engn Ctr, Albuquerque, NM 87185 USA. RP Brennecka, GL (reprint author), Sandia Natl Labs, Mat Sci & Engn Ctr, Albuquerque, NM 87185 USA. EM glbrenn@sandia.gov RI Brennecka, Geoff/J-9367-2012 OI Brennecka, Geoff/0000-0002-4476-7655 FU Department of Energy's Office of Electricity Delivery and Energy Reliability; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank James Griego, Tom Chavez, and Mia Blea-Kirby of Sandia National Laboratories for assistance with sample preparation and characterization. The authors gratefully acknowledge the support of Dr. Imre Gyuk and the Department of Energy's Office of Electricity Delivery and Energy Reliability. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 35 TC 4 Z9 4 U1 1 U2 25 PU CERAMIC SOC JAPAN-NIPPON SERAMIKKUSU KYOKAI PI TOKYO PA 22-17, HYAKUNIN-CHO 2-CHOME, SHINJUKU-KU, TOKYO, 169-0073, JAPAN SN 1882-0743 EI 1348-6535 J9 J CERAM SOC JPN JI J. Ceram. Soc. Jpn. PD APR PY 2014 VL 122 IS 1424 BP 260 EP 266 DI 10.2109/jcersj2.122.260 PG 7 WC Materials Science, Ceramics SC Materials Science GA AP4QY UT WOS:000342064500007 ER PT J AU Dreicer, M Pregenzer, A AF Dreicer, Mona Pregenzer, Arian TI Nuclear Arms Control, Nonproliferation, and Counterterrorism: Impacts on Public Health SO AMERICAN JOURNAL OF PUBLIC HEALTH LA English DT Article AB Reducing the risks of nuclear war, limiting the spread of nuclear weapons, and reducing global nuclear weapons stockpiles are key national and international security goals. They are pursued through a variety of international arms control, nonproliferation, and counterterrorism treaties and agreements. These legally binding and political commitments, together with the institutional infrastructure that supports them, work to establish global norms of behavior and have limited the spread of weapons of mass destruction. Beyond the primary security objectives, reducing the likelihood of the use of nuclear weapons, preventing environmental releases of radioactive material, increasing the availability of safe and secure nuclear technology for peaceful purposes, and providing scientific data relevant to predicting and managing the consequences of natural or human-caused disasters worldwide provide significant benefits to global public health. C1 [Dreicer, Mona] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Pregenzer, Arian] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dreicer, M (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM dreicer1@llnl.gov FU Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-608996] FX Prepared by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. LLNL-JRNL-608996. NR 25 TC 0 Z9 0 U1 4 U2 8 PU AMER PUBLIC HEALTH ASSOC INC PI WASHINGTON PA 800 I STREET, NW, WASHINGTON, DC 20001-3710 USA SN 0090-0036 EI 1541-0048 J9 AM J PUBLIC HEALTH JI Am. J. Public Health PD APR PY 2014 VL 104 IS 4 BP 591 EP 595 DI 10.2105/AJPH.2013.301665 PG 5 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA AP0XI UT WOS:000341789200026 PM 24524501 ER PT J AU Liu, J Yu, Z Qin, H AF Liu, Jian Yu, Zhi Qin, Hong TI A Nonlinear PIC Algorithm for High Frequency Waves in Magnetized Plasmas Based on Gyrocenter Gauge Kinetic Theory SO COMMUNICATIONS IN COMPUTATIONAL PHYSICS LA English DT Article; Proceedings Paper CT 8th International Conference on Computational Physics CY JAN 07-11, 2013 CL Hong Kong, PEOPLES R CHINA DE Gyrocenter gauge kinetics; multi-scale problem; nonlinear system; particle-in-cell ID GYROKINETIC THEORY; CURRENT DRIVE AB Numerical methods based on gyrocenter gauge kinetic theory are suitable for first principle simulations of high frequency waves in magnetized plasmas. The delta f gyrocenter gauge PIC simulation for linear rf wave has been previously realized. In this paper we further develop a full-f nonlinear PIC algorithm appropriate for the nonlinear physics of high frequency waves in magnetized plasmas. Numerical cases of linear rf waves are calculated as a benchmark for the nonlinear GyroGauge code, meanwhile nonlinear rf-wave phenomena are studied. The technique and advantage of the reduction of the numerical noise in this full-f gyrocenter gauge PIC algorithm are also discussed. C1 [Liu, Jian; Qin, Hong] Univ Sci & Technol China, Collaborat Innovat Ctr Adv Fusion Energy & Plasma, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Liu, Jian; Yu, Zhi] Univ Sci & Technol China, Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. [Yu, Zhi] Chinese Acad Sci, Inst Plasma Phys, Theory & Simulat Div, Hefei 230031, Anhui, Peoples R China. [Qin, Hong] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Yu, Z (reprint author), Chinese Acad Sci, Inst Plasma Phys, Theory & Simulat Div, Hefei 230031, Anhui, Peoples R China. EM jliuphy@ustc.edu.cn; yuzhi@ipp.ac.cn; hongqin@ustc.edu.cn OI Liu, Jian/0000-0001-7484-401X FU ITER-China Program [2013GB111000, 2013GB112005, 2014GB124005]; JSPS-NRF-NSFC A3 Foresight Program [NSFC-11261140328]; National Natural Science Foundation of China [NSFC-11305171, NSFC-11105065]; Fundamental Research Funds for the Central Universities [WK2030020022]; China Postdoctoral Science Foundation [2013M530296]; CAS Program for Interdisciplinary Collaboration Team FX This research is supported by ITER-China Program (2013GB111000, 2013GB112005, and 2014GB124005), the JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics (NSFC-11261140328), the National Natural Science Foundation of China (NSFC-11305171, NSFC-11105065), the Fundamental Research Funds for the Central Universities (WK2030020022), China Postdoctoral Science Foundation (2013M530296), and the CAS Program for Interdisciplinary Collaboration Team. NR 17 TC 1 Z9 1 U1 4 U2 18 PU GLOBAL SCIENCE PRESS PI WANCHAI PA ROOM 3208, CENTRAL PLAZA, 18 HARBOUR RD, WANCHAI, HONG KONG 00000, PEOPLES R CHINA SN 1815-2406 EI 1991-7120 J9 COMMUN COMPUT PHYS JI Commun. Comput. Phys. PD APR PY 2014 VL 15 IS 4 BP 1167 EP 1183 DI 10.4208/cicp.150313.051213s PG 17 WC Physics, Mathematical SC Physics GA AN7LI UT WOS:000340781300017 ER PT J AU Kurt, TD Bett, C Fernandez-Borges, N Jiang, L Joshi-Barr, S Hornemann, S Rulicke, T Eisenberg, D Castilla, J Wuthrich, K Aguzzi, A Sigurdson, CJ AF Kurt, Timothy D. Bett, Cyrus Fernandez-Borges, Natalia Jiang, Lin Joshi-Barr, Shivanjali Hornemann, Simone Ruelicke, Thomas Eisenberg, David Castilla, Joaquin Wuethrich, Kurt Aguzzi, Adriano Sigurdson, Christina J. TI A proposed mechanism for the promotion of prion conversion involving a strictly conserved tyrosine residue in the beta 2-alpha 2 loop of PrPC SO PRION LA English DT Meeting Abstract C1 [Kurt, Timothy D.; Bett, Cyrus; Joshi-Barr, Shivanjali; Sigurdson, Christina J.] Univ Calif San Diego, Dept Pathol, La Jolla, CA USA. [Fernandez-Borges, Natalia; Castilla, Joaquin] Parque Tecnol Bizkaia, CIC BioGUNE, Derio, Spain. [Jiang, Lin; Eisenberg, David] Univ Calif Los Angeles, Howard Hughes Med Inst, UCLA DOE Inst Genom & Prote, Dept Chem & Biochem, Los Angeles, CA 90024 USA. [Jiang, Lin; Eisenberg, David] Univ Calif Los Angeles, Howard Hughes Med Inst, UCLA DOE Inst Genom & Prote, Dept & Biol Chem, Los Angeles, CA 90024 USA. [Hornemann, Simone; Wuethrich, Kurt] ETH, Inst Mol Biol & Biophys, CH-8093 Zurich, Switzerland. [Ruelicke, Thomas] Inst Lab Anim Sci & Biomodels, Vienna, Austria. [Ruelicke, Thomas] Univ Vet Med Vienna, Vienna, Austria. [Castilla, Joaquin] Basque Fdn Sci, IKERBASQUE, Bilbao, Spain. [Wuethrich, Kurt] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Wuethrich, Kurt] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. [Hornemann, Simone; Aguzzi, Adriano] Univ Spital Zurich, Inst Neuropathol, Zurich, Switzerland. NR 0 TC 0 Z9 0 U1 0 U2 4 PU LANDES BIOSCIENCE PI AUSTIN PA 1806 RIO GRANDE ST, AUSTIN, TX 78702 USA SN 1933-6896 EI 1933-690X J9 PRION JI Prion PD APR-JUN PY 2014 VL 8 SU S MA P.64 BP 53 EP 53 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AN5FD UT WOS:000340614900119 ER PT J AU Carney, LT Reinsch, SS Lane, PD Solberg, OD Jansen, LS Williams, KP Trent, JD Lane, TW AF Carney, Laura T. Reinsch, Sigrid S. Lane, Pamela D. Solberg, Owen D. Jansen, Lara S. Williams, Kelly P. Trent, Jonathan D. Lane, Todd W. TI Microbiome analysis of a microalgal mass culture growing in municipal wastewater in a prototype OMEGA photobioreactor SO ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS LA English DT Article DE Photobioreactor; Microbiome; Second generation sequencing; Algal pathogens; Biocontaminant ID DIVERSITY; ALGAE; BACTERIA; GROWTH; RDNA; QUANTIFICATION; IDENTIFICATION; ENVIRONMENT; ASSOCIATION; COMMUNITIES AB Large-scale cultivation of microalgae for biofuels may avoid competing for agriculture, water, and fertilizer by using wastewater and avoid competing for land by using the Offshore Membrane Enclosures for Growing Algae (OMEGA) system. Some microalgae thrive in wastewater; however, wastewater also contains a complex mixture of organisms. An algae culture in wastewater from a San Francisco Treatment Facility in a 1600-L OMEGA culture system was monitored by standard methods. Prima facie evidence of a chytrid infection prompted a detailed investigation of the microbiome over a 13-day period using second generation sequencing of hypervariable regions of the small subunit rRNA genes. The observed bacteria, initially dominated by.-proteobacteria, shifted to Cytophagia, Flavobacteriia, and Sphingobacteriia after addition of exogenous nutrients. The dominant algae genera introduced with the inoculum, Desmodesmus and Scenedesmus, remained over 70% of the sequence reads on day 13, although the optical density and fluorescence of the culture declined. Nonalgal eukarya, initially dominated by unclassified alveolates, chrysophytes, and heliozoan grazers, shifted to chytrid fungi on day 5 and continued to day 13. The results of this microbiome analysis can facilitate the development of probe or primer based surveillance systems for routine monitoring of large-scale microalgae cultures. Published by Elsevier B.V. C1 [Carney, Laura T.; Lane, Pamela D.; Solberg, Owen D.; Jansen, Lara S.; Williams, Kelly P.; Lane, Todd W.] Sandia Natl Labs, Livermore, CA 94551 USA. [Reinsch, Sigrid S.; Trent, Jonathan D.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. RP Lane, TW (reprint author), Sandia Natl Labs, POB 969,MS 9292, Livermore, CA 94551 USA. EM twlane@sandia.gov OI Lane, Todd/0000-0002-5816-2649 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Biomass Program of the Office of Energy Efficiency and Renewable Energy U.S. Department of Energy [NL0022897]; NASA; California Energy Commission 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. Microbiome analysis carried out at Sandia National Laboratories was supported by the Biomass Program of the Office of Energy Efficiency and Renewable Energy U.S. Department of Energy under Award #NL0022897. We thank the OMEGA team for technical support, especially Sasha Tozzi, John Malinowski, Hiromi Kagawa, Tsegereda Embaye, Kit Clark, Linden Harris, Patrick Wiley, John Rask, Rus Adams, Zach Hall and the staff at the San Francisco Southeast Wastewater Treatment Plant. We acknowledge Heather McDonald for editorial assistance. The OMEGA project was funded by NASA and the California Energy Commission. NR 64 TC 15 Z9 15 U1 4 U2 65 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-9264 J9 ALGAL RES JI Algal Res. PD APR PY 2014 VL 4 BP 52 EP 61 DI 10.1016/j.algal.2013.11.006 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AM6MP UT WOS:000339979600008 ER PT J AU Okumura, JE Ihara, Y Doi, M Morokuma, T Pain, R Totani, T Barbary, K Takanashi, N Yasuda, N Aldering, G Dawson, K Goldhaber, G Hook, I Lidman, C Perlmutter, S Spadafora, A Suzuki, N Wang, LF AF Okumura, Jun E. Ihara, Yutaka Doi, Mamoru Morokuma, Tomoki Pain, Reynald Totani, Tomonori Barbary, Kyle Takanashi, Naohiro Yasuda, Naoki Aldering, Greg Dawson, Kyle Goldhaber, Gerson Hook, Isobel Lidman, Chris Perlmutter, Saul Spadafora, Anthony Suzuki, Nao Wang, Lifan TI The Type Ia supernovae rate with Subaru/XMM-Newton Deep Survey SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF JAPAN LA English DT Article DE galaxies: evolution; surveys; stars: evolution; stars: statistics; stars: supernovae: general ID HUBBLE-SPACE-TELESCOPE; DIGITAL SKY SURVEY; HIGH-REDSHIFT SUPERNOVAE; DELAY-TIME DISTRIBUTION; ABSOLUTE MAGNITUDE DISTRIBUTIONS; CORE-COLLAPSE SUPERNOVAE; DARK-ENERGY CONSTRAINTS; STAR-FORMATION HISTORY; II-P SUPERNOVAE; LEGACY SURVEY AB We present measurements of the rates of high-redshift Type Ia supernovae derived from the Subaru/XMM-Newton Deep Survey (SXDS). We carried out repeated deep imaging observations with Suprime-Cam on the Subaru Telescope, and detected 1040 variable objects over 0.918 deg(2) in the Subaru/XMM-Newton Deep Field. From the imaging observations, light curves in the observed i band are constructed for all objects, and we fit the observed light curves with template light curves. Out of the 1040 variable objects detected by the SXDS, 39 objects over the redshift range 0.2 < z < 1.4 are classified as Type Ia supernovae using the light curves. These are among the most distant SN Ia rate measurements to date. We find that the Type Ia supernova rates increase up to z similar to 0.8 and may then flatten at higher redshift. The rates can be fitted by a simple power law, r(V)(z) = r(0)(1 + z)(alpha) with r(0) = 0.20(0.16)(+0.52)(stat.)(0.07)(+0.26)(syst.) x 10(-4) yr(-1) Mpc(-3), and alpha = 2.04(-1.96)(+1.84) (stat.)(-0.86)(+2.11)(syst.). C1 [Okumura, Jun E.; Totani, Tomonori] Kyoto Univ, Sch Sci, Dept Astron, Sakyo Ku, Kyoto 6068502, Japan. [Ihara, Yutaka; Doi, Mamoru; Morokuma, Tomoki] Univ Tokyo, Inst Astron, Mitaka, Tokyo 1810015, Japan. [Ihara, Yutaka] Univ Tokyo, Grad Sch Sci, Dept Astron, Bunkyo Ku, Tokyo 1130033, Japan. [Doi, Mamoru] Univ Tokyo, Grad Sch Sci, Res Ctr Early Universe, Bunkyo Ku, Tokyo 1130033, Japan. [Pain, Reynald] CNRS, IN2P3, Lab Phys Nucl & Haute Energies Paris, F-75005 Paris, France. [Pain, Reynald] Univ Paris VI & VII, F-75005 Paris, France. [Barbary, Kyle; Perlmutter, Saul] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Barbary, Kyle; Aldering, Greg; Dawson, Kyle; Goldhaber, Gerson; Perlmutter, Saul; Spadafora, Anthony] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Takanashi, Naohiro] Univ Tokyo, Execut Management Program, Ito Int Res Ctr, Bunkyo Ku, Tokyo 1130033, Japan. [Yasuda, Naoki; Suzuki, Nao] Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778568, Japan. [Dawson, Kyle] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Hook, Isobel] Univ Oxford Astrophys, Oxford OX1 3RH, England. [Hook, Isobel] Osserv Astron Roma, I-00040 Monte Porzio Catone, RM, Italy. [Lidman, Chris] Australian Astron Observ, N Ryde, NSW 1670, Australia. [Wang, Lifan] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. RP Okumura, JE (reprint author), Kyoto Univ, Sch Sci, Dept Astron, Sakyo Ku, Kyoto 6068502, Japan. EM okumura@kusastro.kyoto-u.ac.jp RI Perlmutter, Saul/I-3505-2015; OI Perlmutter, Saul/0000-0002-4436-4661; Hook, Isobel/0000-0002-2960-978X FU Ministry of Education, Science, Culture, and Sports, Science and Technology (MEXT) of Japan; Japan Society for the Promotion of Science (JSPS); Director, Office of Science, Office of High Energy and Nuclear Physics; Office of Advanced Scientific Computing Research, of the U.S. Department of Energy (DOE) [DE-FG02-92ER40704, DE-AC02-05CH11231, DE-FG02-06ER06-04] FX We would like to thank the Subaru Telescope staff for their invaluable assistance. This work was supported in part with scientific research grants from the Ministry of Education, Science, Culture, and Sports, Science and Technology (MEXT) of Japan, and by the Grant-in-Aid for the Global COE Program "The Next Generation of Physics, Spun from Universality and Emergence" from MEXT. J.O., Y.I., and T. M. have been financially supported by the Japan Society for the Promotion of Science (JSPS) through the JSPS Research Fellowship. This work was also supported in part by the Director, Office of Science, Office of High Energy and Nuclear Physics, and the Office of Advanced Scientific Computing Research, of the U.S. Department of Energy (DOE) under Contract Nos. DE-FG02-92ER40704, DE-AC02-05CH11231, DE-FG02-06ER06-04, and DE-AC02-05CH11231. NR 118 TC 3 Z9 3 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0004-6264 EI 2053-051X J9 PUBL ASTRON SOC JPN JI Publ. Astron. Soc. Jpn. PD APR PY 2014 VL 66 IS 2 AR 49 DI 10.1093/pasj/psu024 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AL8YZ UT WOS:000339427200025 ER PT J AU Keyvanloo, K Mardkhe, MK Alam, TM Bartholomew, CH Woodfield, BF Hecker, WC AF Keyvanloo, Kamyar Mardkhe, Maryam Khosravi Alam, Todd M. Bartholomew, Calvin H. Woodfield, Brian F. Hecker, William C. TI Supported Iron Fischer-Tropsch Catalyst: Superior Activity and Stability Using a Thermally Stable Silica-Doped Alumina Support SO ACS CATALYSIS LA English DT Article DE Fischer-Tropsch; supported iron catalyst; silica-doped alumina; stable; active ID COBALT CATALYSTS; CARBON NANOTUBES; CO HYDROGENATION; SLURRY REACTOR; SELECTIVITY; PHASE; DEACTIVATION; PERFORMANCE; DESIGN; BINDER AB Fischer-Tropsch synthesis (FTS) is a technically proven and economically viable route for the conversion of coal, biomass, and natural gas to hydrocarbon fuels. Although unsupported Fe catalysts are proven for FTS, they lack the physical strength and durability that would make them more viable for large-scale commercial reactors, and their activity is still significantly less than that of Co FT catalysts. In this work, we report on a very active and stable supported Fe FT catalyst that is more active than any supported Fe FT catalyst previously reported and competitive with the best unsupported catalysts. In addition, its productivity, which takes into account selectivity to desired hydrocarbon products, is also very competitive. More importantly, the catalyst is extremely stable, as evidenced by the fact that after 700 h on stream, its activity and productivity are still increasing. These catalyst properties result from using a novel gamma-alumina support material doped with silica and pretreated at 1100 degrees C. This unique support has high pore volume, large pore diameter, and unusually high thermal stability. The ability to pretreat this support at 1100 degrees C enables preparation of a material having a low number of acid sites and weak metal oxide-support interactions, all desirable properties for an FT catalyst. These results demonstrate that the surface chemistry of the support material plays a crucial role in the design of an active and stable supported Fe FT catalyst. C1 [Keyvanloo, Kamyar; Bartholomew, Calvin H.; Hecker, William C.] Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. [Mardkhe, Maryam Khosravi; Woodfield, Brian F.] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. [Alam, Todd M.] Sandia Natl Labs, Dept Elect Opt & Nanostruct Mat, Albuquerque, NM 87185 USA. RP Hecker, WC (reprint author), Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. EM hecker@byu.edu FU Brigham Young University Fischer-Tropsch Consortium; University of Wyoming Clean Coal Technologies program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The financial support for this work was provided by members of the Brigham Young University Fischer-Tropsch Consortium and the University of Wyoming Clean Coal Technologies program. Appreciation is expressed to Michael Albretson, Dane Bennion, Brad Chandler, Phillip Childs, Logan Clark, Grant Harper, Jonathon Horton, and McCallin Fisher of the Brigham Young University Catalysis Group for technical assistance in this work. The solid state NMR was performed at Sandia National Laboratories (TMA) 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 47 TC 24 Z9 24 U1 7 U2 69 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2014 VL 4 IS 4 BP 1071 EP 1077 DI 10.1021/cs401242d PG 7 WC Chemistry, Physical SC Chemistry GA AL0HD UT WOS:000338807100004 ER PT J AU Sun, J Wang, Y AF Sun, Junming Wang, Yong TI Recent Advances in Catalytic Conversion of Ethanol to Chemicals SO ACS CATALYSIS LA English DT Review DE ethanol; catalyst; ethylene; isobutene; 1-butanol; hydrogen; oxygenates; gasoline ID PHOSPHATE HYDROXYAPATITE CATALYSTS; SUPPORTED COBALT CATALYSTS; ZNXZRYOZ MIXED OXIDES; SOLID ACID CATALYSTS; ZSM-5 ZEOLITES; HYDROGEN-PRODUCTION; BIO-ETHANOL; AQUEOUS-ETHANOL; ETHYL-ACETATE; N-BUTANOL AB With increased availability and decreased cost, ethanol is potentially a promising platform molecule for the production of a variety of value-added chemicals. In this review, we provide a detailed summary of recent advances in catalytic conversion of ethanol to a wide range of chemicals and fuels. We particularly focus on catalyst advances and fundamental understanding of reaction mechanisms involved in ethanol steam reforming (ESR) to produce hydrogen, ethanol conversion to hydrocarbons ranging from light olefins to longer chain alkenes/alkanes and aromatics, and ethanol conversion to other oxygenates including 1-butanol, acetaldehyde, acetone, diethyl ether, and ethyl acetate. C1 [Sun, Junming; Wang, Yong] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA. [Wang, Yong] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, Y (reprint author), Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA. EM yong.wang@pnnl.gov RI Sun, Junming/B-3019-2011 OI Sun, Junming/0000-0002-0071-9635 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences FX We acknowledge the financial support from the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. We also thank Rebecca Long (WSU) for the helpful discussions. NR 148 TC 87 Z9 90 U1 44 U2 233 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2014 VL 4 IS 4 BP 1078 EP 1090 DI 10.1021/cs4011343 PG 13 WC Chemistry, Physical SC Chemistry GA AL0HD UT WOS:000338807100005 ER PT J AU Schweitzer, NM Hu, B Das, U Kim, H Greeley, J Curtiss, LA Stair, PC Miller, JT Hock, AS AF Schweitzer, Neil M. Hu, Bo Das, Ujjal Kim, Hacksung Greeley, Jeffrey Curtiss, Larry A. Stair, Peter C. Miller, Jeffrey T. Hock, Adam S. TI Propylene Hydrogenation and Propane Dehydrogenation by a Single-Site Zn2+ on Silica Catalyst SO ACS CATALYSIS LA English DT Article DE single-site catalysts; propane dehydrogenation; propylene hydrogenation; heterogeneous Zn catalysis; Lewis Acid hydrogenation/dehydrogenation catalysis ID HIGH SURFACE-AREA; C-H ACTIVATION; ZINC-OXIDE; REVERSIBLE 1,2-RH-ELIMINATION; HYDROCARBON ACTIVATION; MONOMOLECULAR CRACKING; COMPLEXES; ETHYLENE; ZEOLITES; MECHANISM AB This study reports the highly selective (more than 95%) dehydrogenation of propane to propylene as well as the reverse hydrogenation reaction by silica-supported single-site Zn(II) catalyst. The catalyst is thermally stable at dehydrogenation temperature (550 degrees C and above), and catalytic byproducts are small. In situ UV-resonance Raman, XANES, and EXAFS spectra reveal that tetrahedrally coordinated Zn(II) ions are chemisorbed into the strained three-membered siloxane rings on the amorphous silica surface. Under reaction conditions, the Zn(II) ion loses one Zn-O bond, resulting in a coordinatively unsaturated, 3-coordinate active center. The infrared spectrum of adsorbed pyridine indicates that these are Lewis acid sites. Theoretical calculations based on hybrid density functional theory suggest that the catalyst activates H-H and C-H bonds by a nonredox (metal) mechanism consisting of heterolytic cleavage of C-H bonds, in contrast with the homolytic mechanisms such as oxidative addition/reductive elimination pathways. The computed minority catalytic pathway consists of undesired C-C bond cleavage at Zn(II) site, follows a slightly different mechanism, and has a significantly higher activation energy barrier. These mechanisms are consistent with the high olefin selectivity observed for single-site Zn(II) on SiO2. C1 [Schweitzer, Neil M.; Hu, Bo; Das, Ujjal; Kim, Hacksung; Greeley, Jeffrey; Curtiss, Larry A.; Stair, Peter C.; Miller, Jeffrey T.; Hock, Adam S.] Argonne Natl Lab, Argonne, IL 60439 USA. [Kim, Hacksung; Stair, Peter C.] Northwestern Univ, Evanston, IL 60208 USA. [Hu, Bo; Hock, Adam S.] IIT, Chicago, IL 60616 USA. RP Miller, JT (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM millerjt@anl.gov; ahock@iit.edu RI BM, MRCAT/G-7576-2011; Hock, Adam/D-7660-2012 OI Hock, Adam/0000-0003-1440-1473 FU U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences [DE-AC-02-06CH11357]; Illinois Institute of Technology; DOE Early Career Award of the Chemical Sciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy; U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences under Contract DE-AC-02-06CH11357. B.H. and A.S.H. thank the Illinois Institute of Technology for a Starr-Fieldhouse Fellowship (B.H.) and startup funding support. J.G. acknowledges support through a DOE Early Career Award of the Chemical Sciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. Materials Research Collaborative Access Team (MRCAT, Sector 10-BM) operations are supported by the Department of Energy and the MRCAT member institutions. NR 46 TC 29 Z9 29 U1 19 U2 114 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2014 VL 4 IS 4 BP 1091 EP 1098 DI 10.1021/cs401116p PG 8 WC Chemistry, Physical SC Chemistry GA AL0HD UT WOS:000338807100006 ER PT J AU Alia, SM Larsen, BA Pylypenko, S Cullen, DA Diercks, DR Neyerlin, KC Kocha, SS Pivovar, BS AF Alia, Shaun M. Larsen, Brian A. Pylypenko, Svitlana Cullen, David A. Diercks, David R. Neyerlin, K. C. Kocha, Shyam S. Pivovar, Bryan S. TI Platinum-Coated Nickel Nanowires as Oxygen-Reducing Electrocatalysts SO ACS CATALYSIS LA English DT Article DE oxygen reduction reaction; fuel cells; electrochemistry; galvanic displacement; electrocatalysis ID REDUCTION REACTION ELECTROCATALYSTS; SINGLE-CRYSTAL SURFACES; ALLOY CATALYSTS; NANOTUBES; PT3NI; NANOPARTICLES; SEGREGATION; PEMFCS; AREA AB Platinum (Pt)-coated nickel (Ni) nanowires (PtNiNWs) are synthesized by the partial spontaneous galvanic displacement of NiNWs, with a diameter of 150-250 nm and a length of 100-200 mu m. PtNiNWs are electrochemically characterized for oxygen reduction (ORR) in rotating disk electrode half-cells with an acidic electrolyte and compared to carbon-supported Pt (Pt/HSC) and a polycrystalline Pt electrode. Like other extended surface catalysts, the nanowire morphology yields significant gains in ORR specific activity compared to Pt/HSC. Unlike other extended surface approaches, the resultant materials have yielded exceptionally high surface areas, greater than 90 m(2) g(Pt)(-1). These studies have found that reducing the level of Pt displacement increases Pt surface area and ORR mass activity. PtNiNWs produce a peak mass activity of 917 mA mg(Pt)(-1), 3.0 times greater than Pt/HSC and 2.1 times greater than the U.S. Department of Energy target for proton-exchange membrane fuel cell activity. C1 [Alia, Shaun M.; Larsen, Brian A.; Neyerlin, K. C.; Kocha, Shyam S.; Pivovar, Bryan S.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Pylypenko, Svitlana; Diercks, David R.] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Cullen, David A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Pivovar, BS (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. EM bryan.pivovar@nrel.gov RI Cullen, David/A-2918-2015 OI Cullen, David/0000-0002-2593-7866 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC36-08GO28308] FX Financial support is provided by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, through contract no. DE-AC36-08GO28308 to the National Renewable Energy Laboratory. NR 35 TC 26 Z9 26 U1 21 U2 117 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2014 VL 4 IS 4 BP 1114 EP 1119 DI 10.1021/cs401081w PG 6 WC Chemistry, Physical SC Chemistry GA AL0HD UT WOS:000338807100009 ER PT J AU Darmon, JM Raugei, S Liu, TB Hulley, EB Weiss, CJ Bullock, RM Helm, ML AF Darmon, Jonathan M. Raugei, Simone Liu, Tianbiao Hulley, Elliott B. Weiss, Charles J. Bullock, R. Morris Helm, Monte L. TI Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres SO ACS CATALYSIS LA English DT Article DE iron; electrocatalyst; hydrogen oxidation; proton relay; diphosphine; piano-stool ID PENDANT AMINES; MOLECULAR ELECTROCATALYST; HETEROLYTIC CLEAVAGE; ABUNDANT METALS; RECENT PROGRESS; PROTON RELAYS; HYDRIDE; CATALYSTS; ENERGY; MODEL AB A series of iron hydride complexes featuring p(R)N(R')p(R) (p(R)N(R')p(R) = R2PCH2N(R')CH2PR2 where R = Ph, R' = Me; R = Et, R' = Ph, Bn, Me, Bu-t) and cyclopentadienide (Cp-X = C5H4X where X = H, C5F4N) ligands has been synthesized; characterized by NMR spectroscopy, X-ray diffraction, and cyclic voltammetry; and examined by quantum chemistry calculations. Each compound was tested for the electrocatalytic oxidation of H-2, and the most active complex, (Cp-C5F4N)Fe((PNPEt)-N-Et-P-Me)(H), exhibited a turnover frequency of 8.6 s(-1) at 1 atm of H-2 with an overpotential of 0.41 V, as measured at the potential at half of the catalytic current and using N-methylpyrrolidine as the exogenous base to remove protons. Control complexes that do not contain pendant amine groups were also prepared and characterized, but no catalysis was observed. The rate-limiting steps during catalysis are identified through combined experimental and computational studies as the intramolecular deprotonation of the Fe-III hydride by the pendant amine and the subsequent deprotonation by an exogenous base. C1 [Darmon, Jonathan M.; Raugei, Simone; Liu, Tianbiao; Hulley, Elliott B.; Weiss, Charles J.; Bullock, R. Morris; Helm, Monte L.] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, Richland, WA 99352 USA. RP Helm, ML (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, POB 999,K2-57, Richland, WA 99352 USA. EM monte.helm@pnnl.gov RI Bullock, R. Morris/L-6802-2016 OI Bullock, R. Morris/0000-0001-6306-4851 FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy. NR 55 TC 24 Z9 24 U1 4 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2014 VL 4 IS 4 BP 1246 EP 1260 DI 10.1021/cs500290w PG 15 WC Chemistry, Physical SC Chemistry GA AL0HD UT WOS:000338807100026 ER PT J AU Hayes, DJ Kicklighter, DW McGuire, AD Chen, M Zhuang, QL Yuan, FM Melillo, JM Wullschleger, SD AF Hayes, Daniel J. Kicklighter, David W. McGuire, A. David Chen, Min Zhuang, Qianlai Yuan, Fengming Melillo, Jerry M. Wullschleger, Stan D. TI The impacts of recent permafrost thaw on land-atmosphere greenhouse gas exchange SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE permafrost; carbon; arctic; boreal; modeling ID INTERNATIONAL POLAR YEAR; HIGH-LATITUDE ECOSYSTEMS; NET PRIMARY PRODUCTION; SOIL THERMAL DYNAMICS; CARBON RELEASE; CLIMATE-CHANGE; NORTHERN-HEMISPHERE; ALASKAN TUNDRA; SEQUESTRATION; VULNERABILITY AB Permafrost thaw and the subsequent mobilization of carbon (C) stored in previously frozen soil organic matter (SOM) have the potential to be a strong positive feedback to climate. As the northern permafrost region experiences as much as a doubling of the rate of warming as the rest of the Earth, the vast amount of C in permafrost soils is vulnerable to thaw, decomposition and release as atmospheric greenhouse gases. Diagnostic and predictive estimates of high-latitude terrestrial C fluxes vary widely among different models depending on how dynamics in permafrost, and the seasonally thawed 'active layer' above it, are represented. Here, we employ a process-based model simulation experiment to assess the net effect of active layer dynamics on this 'permafrost carbon feedback' in recent decades, from 1970 to 2006, over the circumpolar domain of continuous and discontinuous permafrost. Over this time period, the model estimates a mean increase of 6.8 cm in active layer thickness across the domain, which exposes a total of 11.6 Pg C of thawed SOM to decomposition. According to our simulation experiment, mobilization of this previously frozen C results in an estimated cumulative net source of 3.7 Pg C to the atmosphere since 1970 directly tied to active layer dynamics. Enhanced decomposition from the newly exposed SOM accounts for the release of both CO2 (4.0 Pg C) and CH4 (0.03 Pg C), but is partially compensated by CO2 uptake (0.3 Pg C) associated with enhanced net primary production of vegetation. This estimated net C transfer to the atmosphere from permafrost thaw represents a significant factor in the overall ecosystem carbon budget of the Pan-Arctic, and a non-trivial additional contribution on top of the combined fossil fuel emissions from the eight Arctic nations over this time period. C1 [Hayes, Daniel J.; Yuan, Fengming; Wullschleger, Stan D.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Hayes, Daniel J.; Yuan, Fengming; Wullschleger, Stan D.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Kicklighter, David W.; Melillo, Jerry M.] Marine Biol Lab, Ctr Ecosyst, Woods Hole, MA 02543 USA. [McGuire, A. David] Univ Alaska Fairbanks, Alaska Cooperat Fish & Wildlife Res Unit, US Geol Survey, Fairbanks, AK 99775 USA. [Chen, Min; Zhuang, Qianlai] Purdue Univ, Dept Earth & Atmospher Sci, W Lafayette, IN 47907 USA. RP Hayes, DJ (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. EM hayesdj@ornl.gov RI Zhuang, Qianlai/A-5670-2009; Wullschleger, Stan/B-8297-2012 OI Wullschleger, Stan/0000-0002-9869-0446 FU National Science Foundation's Arctic System Science Program [NSF OPP-0531047]; Department of Energy (DOE) Early Career Award (DOE-BER) [3ERKP818]; National Aeronautics and Space Administration's New Investigator Program [NNX10AT66G]; Next-Generation Ecosystem Experiments (NGEE Arctic) project - Office of Biological and Environmental Research in the DOE Office of Science FX We thank Jitendru Kumar, Shuhua Yi and three anonymous reviewers for their comments on previous versions of this manuscript, which greatly improved the presentation of our study in this paper. This study was supported through grants provided as part of the National Science Foundation's Arctic System Science Program (NSF OPP-0531047), a Department of Energy (DOE) Early Career Award (DOE-BER #3ERKP818), the National Aeronautics and Space Administration's New Investigator Program (NNX10AT66G) and the Next-Generation Ecosystem Experiments (NGEE Arctic) project supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 59 TC 15 Z9 16 U1 6 U2 77 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD APR PY 2014 VL 9 IS 4 AR 045005 DI 10.1088/1748-9326/9/4/045005 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AK9XD UT WOS:000338781000019 ER PT J AU Kravitz, B MacMartin, DG Leedal, DT Rasch, PJ Jarvis, AJ AF Kravitz, Ben MacMartin, Douglas G. Leedal, David T. Rasch, Philip J. Jarvis, Andrew J. TI Explicit feedback and the management of uncertainty in meeting climate objectives with solar geoengineering SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE feedback; geoengineering; climate modeling ID ALBEDO ENHANCEMENT; POLICY AB Solar geoengineering has been proposed as a method of meeting climate objectives, such as reduced globally averaged surface temperatures. However, because of incomplete understanding of the effects of geoengineering on the climate system, its implementation would be in the presence of substantial uncertainties. In our study, we use two fully coupled atmosphere-ocean general circulation models: one in which the geoengineering strategy is designed, and one in which geoengineering is implemented (a real-world proxy). We show that regularly adjusting the amount of solar geoengineering in response to departures of the observed global mean climate state from the predetermined objective (sequential decision making; an explicit feedback approach) can manage uncertainties and result in achievement of the climate objective in both the design model and the real-world proxy. This approach results in substantially less error in meeting global climate objectives than using a predetermined time series of how much geoengineering to use, especially if the estimated sensitivity to geoengineering is inaccurate. C1 [Kravitz, Ben; Rasch, Philip J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [MacMartin, Douglas G.] CALTECH, Dept Comp & Math Sci, Pasadena, CA 91125 USA. [MacMartin, Douglas G.] Carnegie Inst Sci, Dept Global Ecol, Stanford, CA 94305 USA. [Leedal, David T.; Jarvis, Andrew J.] Univ Lancaster, Lancaster Environm Ctr, Lancaster LA1 4YQ, England. RP Kravitz, B (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, POB 999,MSIN K9-24, Richland, WA 99352 USA. EM ben.kravitz@pnnl.gov RI Kravitz, Ben/P-7925-2014; MacMartin, Douglas/A-6333-2016 OI Kravitz, Ben/0000-0001-6318-1150; MacMartin, Douglas/0000-0003-1987-9417 FU Fund for Innovative Climate and Energy Research (FICER); US Department of Energy [DE-AC05-76RLO 1830]; NASA High-End Computing (HEC) Program through the NASA Center for Climate Simulation (NCCS) at Goddard Space Flight Center; UK Engineering and Physical Science Research Council [EP/I014721/1] FX We thank Jane Long, Andy Ridgwell, and David Keith for helpful discussions about this work, as well as three anonymous reviewers for their comments. BK is supported by the Fund for Innovative Climate and Energy Research (FICER). The Pacific Northwest National Laboratory is operated for the US Department of Energy by Battelle Memorial Institute under contract DE-AC05-76RLO 1830. Resources supporting this work were provided by the NASA High-End Computing (HEC) Program through the NASA Center for Climate Simulation (NCCS) at Goddard Space Flight Center. AJ and DL were supported by UK Engineering and Physical Science Research Council grant EP/I014721/1. NR 28 TC 14 Z9 14 U1 1 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD APR PY 2014 VL 9 IS 4 AR 044006 DI 10.1088/1748-9326/9/4/044006 PG 7 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AK9XD UT WOS:000338781000007 ER PT J AU Lau, KC Lu, J Low, J Peng, D Wu, H Albishri, HM Abd Al-Hady, D Curtiss, LA Amine, K AF Lau, Kah Chun Lu, Jun Low, John Peng, Du Wu, Huiming Albishri, Hassan M. Abd Al-Hady, D. Curtiss, Larry A. Amine, Khalil TI Investigation of the Decomposition Mechanism of Lithium Bis(oxalate)borate (LiBOB) Salt in the Electrolyte of an Aprotic Li-O-2 Battery SO ENERGY TECHNOLOGY LA English DT Article DE electrolytes; Li-air batteries; Li-O-2 batteries; lithium oxalate; LiBOB ID LI-AIR BATTERIES; ENERGY-STORAGE; PERSPECTIVE; LIMITATIONS; CHALLENGES AB The stability of the lithium bis(oxalate) borate (LiBOB) salt against lithium peroxide (Li2O2) formation in an aprotic LiO2 (Li-air) battery is investigated. From theoretical and experimental findings, we find that the chemical decomposition of LiBOB in electrolytes leads to the formation lithium oxalate during the discharge of a Li-O-2 cell. According to density functional theory (DFT) calculations, the formation of lithium oxalate as the reaction product is exothermic and therefore is thermodynamically feasible. This reaction seems to be independent of solvents used in the Li-O-2 cell, and therefore LiBOB is probably not suitable to be used as the salt in Li-O-2 cell electrolytes. C1 [Lau, Kah Chun; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Lu, Jun; Peng, Du; Wu, Huiming; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Low, John] Argonne Natl Lab, Comp Environm & Life Sci Div, Lemont, IL 60439 USA. [Albishri, Hassan M.; Abd Al-Hady, D.; Amine, Khalil] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah 80203, Saudi Arabia. RP Curtiss, LA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 South Cass Ave, Lemont, IL 60439 USA. EM curtiss@anl.gov; amine@anl.gov RI Lau, Kah Chun/A-9348-2013; Faculty of, Sciences, KAU/E-7305-2017 OI Lau, Kah Chun/0000-0002-4925-3397; FU U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE); Office of Energy Efficiency and Renewable Energy (EERE); Department of Energy, Joint Center for Energy Storage Research; Department of Energy (DOE); DOE [DE-AC05-06OR23100]; Deanship of Scientific research (DSR), King Abdulaziz University, Jeddah under the HiCi Project [11-1301424]; DSR FX This work was supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the support provided by the Vehicle Technologies Office, Department of Energy (DOE), and Office of Energy Efficiency and Renewable Energy (EERE). Theoretical work was supported by the Department of Energy, Joint Center for Energy Storage Research. Jun Lu was supported by the Department of Energy (DOE) and Office of Energy Efficiency and Renewable Energy (EERE). A postdoctoral Research Award under the EERE Vehicles Technology Program administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE managed by Oak Ridge Associated Universities (ORAU) under DOE contract number DE-AC05-06OR23100 is acknowledged. We acknowledge grants of computer time allocations on the CNM Carbon Cluster at Argonne National Laboratory, the ALCF Fusion Cluster at Argonne National Laboratory, and the EMSL Chinook Cluster at Pacific Northwest National Laboratory. This work was also funded by the Deanship of Scientific research (DSR), King Abdulaziz University, Jeddah under the HiCi Project (grant No: 11-1301424). The authors (HMA, DAE, and KA) thank the DSR for their technical and financial support. NR 30 TC 6 Z9 6 U1 2 U2 38 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 2194-4288 EI 2194-4296 J9 ENERGY TECHNOL-GER JI Energy Technol. PD APR PY 2014 VL 2 IS 4 SI SI BP 348 EP 354 DI 10.1002/ente.201300164 PG 7 WC Energy & Fuels SC Energy & Fuels GA AK3VH UT WOS:000338352500005 ER PT J AU Wang, ZH Zhang, YL Xia, T Murowchick, J Liu, G Chen, XB AF Wang, Zhihui Zhang, Yuliang Xia, Ting Murowchick, James Liu, Gao Chen, Xiaobo TI Lithium-Ion Battery Performance of (001)-Faceted TiO2 Nanosheets vs. Spherical TiO2 Nanoparticles SO ENERGY TECHNOLOGY LA English DT Article DE lithium-ion batteries; nanoparticles; nanosheets; TiO2; titania ID EXPOSED 001 FACETS; ANATASE TIO2; HIGH-CAPACITY; ELECTRONIC-STRUCTURE; SILICON NANOWIRES; NANOCRYSTALS; INSERTION; STORAGE; ANODES; LI AB The influence of surface morphology on the lithium-ion battery performance of TiO2, a safer anode material than graphite, has been investigated. We demonstrate that (001)-faceted TiO2 nanosheets display better electrochemical energy storage performance, higher charge/discharge rates, larger capacity, and improved stability over spherical TiO2 nanoparticles. The improvement is attributed to the smaller charge diffusion resistance in the TiO2 nanosheets as a result of increased lithium-ion insertion/extraction along the c-axis during the charge/discharge process for the (001)-faceted TiO2 nanosheets in comparison to spherical TiO2 nanoparticles. C1 [Wang, Zhihui; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Zhang, Yuliang; Xia, Ting; Chen, Xiaobo] Univ Missouri, Dept Chem, Kansas City, MO 64110 USA. [Zhang, Yuliang] Shanghai Maritime Univ, Inst Mat Sci & Engn, Shanghai 201306, Peoples R China. [Murowchick, James] Univ Missouri, Dept Geosci, Kansas City, MO 64110 USA. RP Liu, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM GLiu@lbl.gov; chenxiaobo@umkc.edu FU College of Arts and Sciences, University of Missouri-Kansas City; University of Missouri Research Board; National Natural Science Foundation of China [21071096]; Office of Vehicle Technologies of the United States Department of Energy [DE-AC03-76SF00098] FX X.C. is grateful for the support from College of Arts and Sciences, University of Missouri-Kansas City, the University of Missouri Research Board, and the generous gift from Dow Kokam. Y.Z. thanks the National Natural Science Foundation of China (No. 21071096) for its financial support. G. L. thanks the fund by the Assistant Secretary for Energy Efficiency, Office of Vehicle Technologies of the United States Department of Energy under Contract No. DE-AC03-76SF00098. Z. Wang and Y. Zhang contributed equally to this work. NR 44 TC 9 Z9 9 U1 7 U2 51 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 2194-4288 EI 2194-4296 J9 ENERGY TECHNOL-GER JI Energy Technol. PD APR PY 2014 VL 2 IS 4 SI SI BP 376 EP 382 DI 10.1002/ente.201300140 PG 7 WC Energy & Fuels SC Energy & Fuels GA AK3VH UT WOS:000338352500009 ER PT J AU Alexander, CT Kim, C Yaylian, R Cabana, J AF Alexander, Caleb T. Kim, Chunjoong Yaylian, Riley Cabana, Jordi TI Toward General Rules for the Design of Battery Electrodes Based on Titanium Oxides and Free of Conductive Additives SO ENERGY TECHNOLOGY LA English DT Article DE carbon-free electrodes; Li-ion batteries; polymorphs; TiO2; titanium oxides ID LITHIUM-ION BATTERIES; RUTILE TIO2; NEUTRON-DIFFRACTION; CARBON NANOTUBES; ROOM-TEMPERATURE; ENERGY-STORAGE; LI-BATTERIES; ANATASE; INSERTION; NANOPARTICLES AB The functionality of several titanium oxides as active materials in electrodes free of any conductive additive was evaluated and rationalized. Correlations were established between the phase transformation during lithiation and both utilization and durability. Ramsdellite-type Li2Ti3O7 was found to perform well, enabled by the small, isotropic volume change that accompanies lithium intercalation. In contrast, the anatase and rutile polymorphs of TiO2 suffered losses, to different extents. Rutile could be fully lithiated, which resulted in a significant reduction of crystallinity. Changes in the voltage profile suggest that an amorphous fraction existed that was mainly responsible for a very stable activity upon subsequent cycling. In contrast, anatase electrodes could not be fully lithiated, probably due to kinetic limitations imposed by the transformation, and underwent severe decay upon cycling. Both utilization and stability could be improved to some extent by mixing this phase with Li4Ti5O12, which could provide a mechanically stable scaffold during operation. Our work identifies rules and suggests pathways for the design of high-energy-density electrodes based on these phases through the elimination of additives such as high-surface-area carbons. C1 [Alexander, Caleb T.; Kim, Chunjoong; Yaylian, Riley; Cabana, Jordi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Alexander, Caleb T.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. [Kim, Chunjoong; Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. [Yaylian, Riley] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. RP Cabana, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM jcabana@uic.edu RI Cabana, Jordi/G-6548-2012 OI Cabana, Jordi/0000-0002-2353-5986 FU Office of Vehicle Technologies of the U.S. Department of Energy(DOE) under the Batteries for Advanced Transportation Technologies (BATT) Program; LBNL through the Science Undergraduate Laboratory Internship program from the DOE FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy(DOE) under the Batteries for Advanced Transportation Technologies (BATT) Program. Portions of this research were performed at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. R.Y. was supported by LBNL through the Science Undergraduate Laboratory Internship program from the DOE. The authors wish to express their sincerest gratitude to Prof. Flaviano Garcia-Alvarado (Universidad San Pablo-CEU, Spain) for supplying the Li2Ti3O7 sample used in this study. NR 39 TC 1 Z9 1 U1 3 U2 28 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 2194-4288 EI 2194-4296 J9 ENERGY TECHNOL-GER JI Energy Technol. PD APR PY 2014 VL 2 IS 4 SI SI BP 383 EP 390 DI 10.1002/ente.201300143 PG 8 WC Energy & Fuels SC Energy & Fuels GA AK3VH UT WOS:000338352500010 ER PT J AU Negrini, RM McCuan, DT Horton, RA Lopez, JD Cassata, WS Channell, JET Verosub, KL Knott, JR Coe, RS Liddicoat, JC Lund, SP Benson, LV Sarna-Wojcicki, AM AF Negrini, Robert M. McCuan, Daniel T. Horton, Robert A. Lopez, James D. Cassata, William S. Channell, James E. T. Verosub, Kenneth L. Knott, Jeffrey R. Coe, Robert S. Liddicoat, Joseph C. Lund, Steven P. Benson, Larry V. Sarna-Wojcicki, Andrei M. TI Nongeocentric axial dipole field behavior during the Mono Lake excursion SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID LASCHAMP GEOMAGNETIC EXCURSION; EARTHS MAGNETIC-FIELD; CHAINE DES PUYS; SUMMER LAKE; ICE CORE; NORTH-ATLANTIC; TEPHRA LAYERS; PYRAMID LAKE; GREAT-BASIN; SEDIMENTS AB A new record of the Mono Lake excursion (MLE) is reported from the Summer Lake Basin of Oregon, USA. Sediment magnetic properties indicate magnetite as the magnetization carrier and imply suitability of the sediments as accurate recorders of the magnetic field including relative paleointensity (RPI) variations. The magnitudes and phases of the declination, inclination, and RPI components of the new record correlate well with other coeval but lower resolution records from western North America including records from the Wilson Creek Formation exposed around Mono Lake. The virtual geomagnetic pole (VGP) path of the new record is similar to that from another high-resolution record of the MLE from Ocean Drilling Program (ODP) Site 919 in the Irminger Basin between Iceland and Greenland but different from the VGP path for the Laschamp excursion (LE), including that found lower in the ODP-919 core. Thus, the prominent excursion recorded at Mono Lake, California, is not the LE but rather one that is several thousands of years younger. The MLE VGP path contains clusters, the locations of which coincide with nonaxial dipole features found in the Holocene geomagnetic field. The clusters are occupied in the same time progression by VGPs from Summer Lake and the Irminger Basin, but the phase of occupation is offset, a behavior that suggests time-transgressive decay and return of the principal field components at the beginning and end of the MLE, respectively, leaving the nonaxial dipole features associated with the clusters dominant during the excursion. C1 [Negrini, Robert M.; McCuan, Daniel T.; Horton, Robert A.; Lopez, James D.] Calif State Univ, Dept Geol Sci, Bakersfield, CA 93311 USA. [Cassata, William S.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Channell, James E. T.] Univ Florida, Dept Geol Sci, Gainesville, FL USA. [Verosub, Kenneth L.] Univ Calif Davis, Dept Geol, Davis, CA 95616 USA. [Knott, Jeffrey R.] Calif State Univ Fullerton, Dept Geol Sci, Fullerton, CA 92634 USA. [Coe, Robert S.] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. [Liddicoat, Joseph C.] Columbia Univ Barnard Coll, Dept Environm Sci, New York, NY 10027 USA. [Lund, Steven P.] Univ So Calif, Dept Earth Sci, Los Angeles, CA USA. [Benson, Larry V.] Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. [Sarna-Wojcicki, Andrei M.] US Geol Survey, Tephrochronol Lab, Menlo Pk, CA 94025 USA. RP Negrini, RM (reprint author), Calif State Univ, Dept Geol Sci, Bakersfield, CA 93311 USA. EM rnegrini@csub.edu FU NSF [0911351, 1137774, 030332]; Chevron USA REVS-UP summer research program; Institute of Rock Magnetism FX All data used herein are available upon request from the first author. This study was funded by NSF grants EAR#0911351, HRD#1137774, and EHR#030332 and by the Chevron USA REVS-UP summer research program. This work benefited from a graduate student fellowship awarded to Dan McCuan at the Institute of Rock Magnetism. R. Reynolds is acknowledged for his guidance regarding reflected-light microscopy of magnetic separates. Tephra analyses were done by F. Foit, Jr., in the Geoanalytical Laboratory of Washington State University, Pullman, WA. We are grateful to K. Danley, R. Rodriquez, and A. Kylasa for assistance with characterization of the 12.6m unconformity, to I. Herrera, K. Sevier, C. Soto, G. Thompson, and A. Ying Wang for assistance with SEM EDS analysis of magnetic separates, and to T. Osborn, E. Powers, and K. Eickenhorst for technical assistance at CSUB. M. Harden, S. Pezzopane, and P. Arredondo assisted with coring as did Julie Bryant and other personnel of the Summer Lake Playa Residence for writers, artists, and natural scientists. Supportive reviews by A. Roberts and two anonymous reviewers greatly improved the manuscript. NR 67 TC 6 Z9 6 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD APR PY 2014 VL 119 IS 4 BP 2567 EP 2581 DI 10.1002/2013JB010846 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AJ4ZG UT WOS:000337688600002 ER PT J AU Vialle, S Contraires, S Zinzsner, B Clavaud, JB Mahiouz, K Zuddas, P Zamora, M AF Vialle, Stephanie Contraires, Simon Zinzsner, Bernard Clavaud, Jean-Baptiste Mahiouz, Karim Zuddas, Pierpaolo Zamora, Maria TI Percolation of CO2-rich fluids in a limestone sample: Evolution of hydraulic, electrical, chemical, and structural properties SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID POROUS-MEDIA; CALCITE DISSOLUTION; MIXING ZONE; SEA-WATER; CARBONATE; FLOW; PRECIPITATION; PERMEABILITY; ROCKS; KINETICS AB Percolation of CO2-rich fluids in limestones causes the dissolution (and eventual reprecipitation) of calcium carbonate minerals, which affect the rock microstructure and change the rock petrophysical properties (i.e., hydraulic, electrical, and elastic properties). In addition, microstructural changes further feed back to affect the chemical reactions. To better understand this coupled problem and to assess the possibility of geophysical monitoring, we performed reactive percolation laboratory experiments on a well-characterized carbonate sample 35 cm in length and 10 cm in diameter. In a comprehensive study, we present integrated measurements of aqueous chemistry (pH, calcium concentration, and total alkalinity), petrophysical properties (permeability, electrical formation factor, and acoustic velocities), and X-ray tomography imaging. The measured chemical and electrical parameters allowed rapid detection of the dissolution of calcite in the downstream fluid. After circulating fluids of various salinities at 5mL min(-1) for 32 days (about 290 pore sample volumes) at a pCO(2) of 1 atm (pH = 4), porosity increased by 7% (from 0.29 to 0.31), permeability increased by 1 order of magnitude (from 0.12 D to 0.97 D), and the electrical formation factor decreased by 15% (from 15.7 to 13.3). X-ray microtomography revealed the creation of wormholes; these, along with the convex curvature of the permeability-porosity relationship, are consistent with a transport-controlled dissolution regime for which advection processes are greater than diffusion processes, confirming results from previous numerical studies. This study shows that nonseismic geophysical techniques (i.e., electrical measurements) are promising for monitoring geochemical changes within the subsurface due to fluid-rock interactions. C1 [Vialle, Stephanie; Contraires, Simon; Zinzsner, Bernard; Clavaud, Jean-Baptiste; Mahiouz, Karim; Zamora, Maria] Univ Paris Diderot, Inst Phys Globe Paris, Sorbonne Paris Cite, Paris, France. [Zuddas, Pierpaolo] UPMC Sorbonne Univ, Inst Sci Terre, Paris, France. RP Vialle, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM svialle@stanford.edu FU CNRS-INSU programs ACI Eau-Environnement; program ECCO; Schlumberger Water Services FX The authors are grateful to Jean-Pierre Delhomme and Olivier Lopez for fruitful discussions. Ionic chromatography was performed by Caroline Gorge at the Laboratoire de Geochimie et Cosmochimie (IPG, Paris). This research was supported by CNRS-INSU programs ACI Eau-Environnement, program ECCO, and Schlumberger Water Services. The authors want to thank the Associate Editor and two anonymous reviewers for their comments and suggestions. This is IPG contribution 3497. NR 71 TC 9 Z9 9 U1 1 U2 14 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD APR PY 2014 VL 119 IS 4 BP 2828 EP 2847 DI 10.1002/2013JB010656 PG 20 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AJ4ZG UT WOS:000337688600015 ER PT J AU Masson, YJ Pride, SR AF Masson, Y. J. Pride, S. R. TI On the correlation between material structure and seismic attenuation anisotropy in porous media SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID PARTIALLY SATURATED ROCKS; INVASION PERCOLATION; COMPOSITE-MATERIALS; FRACTURES; WAVES; FLOW; POROELASTICITY; INCLUSIONS; LOG AB Through numerical experiments and analytical analysis, we show that a strong correlation exists between anisotropy in the material structure (i.e., the elongation of inclusions present within rocks in the different directions of space) and anisotropy in seismic attenuation (i.e., the values of the inverse quality factors associated with the anisotropic moduli that control wave propagation). This is especially true for weakly anisotropic materials where a power law is shown to relate the aspect ratios of the inclusions (i.e., the ratios of the lengths of the inclusions in the different spatial directions) to the peak attenuation ratios (i.e., the ratios of the maximum values of the quality factors describing wave attenuation in the different spatial directions). Analytical results show that small deviations from this simple power law relation are to be expected for general anisotropic materials. For axisymmetric spheroidal inclusions, a perfectly bijective analytical relation is obtained between aspect ratios of the inclusions and attenuation ratios. This relation is not a power law in general but may be considered to reduce to one as aspect ratios approach 1 (a perfect sphere). C1 [Masson, Y. J.] Inst Phys Globe Paris, Paris, France. [Pride, S. R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Pride, SR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM SRPride@lbl.gov OI masson, yder/0000-0001-6884-8823 FU U.S. Department of Energy; Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences BES [DEACO2O5CH11231]; European Union's Seventh Framework Program (FP-7-IDEAS-ERC), ERC Advanced grant (WAVETOMO) FX This work was performed under the auspices of the U.S. Department of Energy and supported specifically by the Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences BES, contract DEACO2O5CH11231. Y. Masson has recently been supported through the European Union's Seventh Framework Program (FP-7-IDEAS-ERC), ERC Advanced grant (WAVETOMO). NR 42 TC 5 Z9 5 U1 2 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD APR PY 2014 VL 119 IS 4 BP 2848 EP 2870 DI 10.1002/2013JB010798 PG 23 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AJ4ZG UT WOS:000337688600016 ER PT J AU Hubble, AA Barnat, EV Weatherford, BR Foster, JE AF Hubble, A. A. Barnat, E. V. Weatherford, B. R. Foster, J. E. TI The electron spatial distribution and leak width in a magnetic cusp SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE magnetosheath; magnetic cusp; plasma; laser; ion source; plasma diagnostics ID PLASMA CONFINEMENT; LINE-CUSP AB The electron spatial distribution within a magnetic cusp and surrounding regions were measured noninvasively using laser-collision induced fluorescence. The spatial density profiles were used to infer the plasma leak width. Leak widths were found to scale with the hybrid gyroradius. The scaling constant of proportionality was found to increase with pressure, consistent with theoretical predictions. C1 [Hubble, A. A.; Foster, J. E.] Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Barnat, E. V.; Weatherford, B. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hubble, AA (reprint author), Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. NR 19 TC 4 Z9 4 U1 2 U2 9 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 APR PY 2014 VL 23 IS 2 AR 022001 DI 10.1088/0963-0252/23/2/022001 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AJ7QH UT WOS:000337890700001 ER PT J AU Huo, CQ Lundin, D Raadu, MA Anders, A Gudmundsson, JT Brenning, N AF Huo, Chunqing Lundin, Daniel Raadu, Michael A. Anders, Andre Gudmundsson, Jon Tomas Brenning, Nils TI On the road to self-sputtering in high power impulse magnetron sputtering: particle balance and discharge characteristics SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE magnetron sputtering; high power impulse magnetron sputtering (HiPIMS) discharge; self-sputtering; plasma modeling ID PLANAR MAGNETRON; DEPOSITION; PLASMAS AB The onset and development of self-sputtering (SS) in a high power impulse magnetron sputtering (HiPIMS) discharge have been studied using a plasma chemical model and a set of experimental data, taken with an aluminum target and argon gas. The model is tailored to duplicate the discharge in which the data are taken. The pulses are long enough to include both an initial transient and a following steady state. The model is used to unravel how the internal discharge physics evolves with pulse power and time, and how it is related to features in the discharge current-voltage-time characteristics such as current densities, maxima, kinks and slopes. The connection between the self-sputter process and the discharge characteristics is quantified and discussed in terms of three parameters: a critical target current density J(crit) based on the maximum refill rate of process (argon) gas above the target, an SS recycling factor Pi(SS-recycle), and an approximation alpha a of the probabilities of ionization of species that come from the target (both sputtered metal and embedded argon atoms). For low power pulses, discharge voltages UD <= 380V with peak current densities below approximate to 0.2A cm(-2), the discharge is found to be dominated by process gas sputtering. In these pulses there is an initial current peak in time, associated with partial gas rarefaction, which is followed by a steady-state-like plateau in all parameters similar to direct current magnetron sputtering. In contrast, high power pulses, with U-D >= 500V and peak current densities above J(D) approximate to 1.6Acm(-2), make a transition to a discharge mode where SS dominates. The transition is found not to be driven by process gas rarefaction which is only about 10% at this time. Maximum gas rarefaction is found later in time and always after the initial peak in the discharge current. With increasing voltage, and pulse power, the discharge can be described as following a route where the role of SS increases in four steps: process gas sputtering, gas-sustained SS, self-sustained SS and SS runaway. At the highest voltage, 1000V, the discharge is very close to, but does not go into, the SS runaway mode. This absence of runaway is proposed to be connected to an unexpected finding: that twice ionized ions of the target species play almost no role in this discharge, not even at the highest powers. This reduces ionization by secondary-emitted energetic electrons almost to zero in the highest power range of the discharge. C1 [Huo, Chunqing; Lundin, Daniel; Raadu, Michael A.; Brenning, Nils] KTH Royal Inst Technol, Sch Elect Engn, Div Space & Plasma Phys, SE-10044 Stockholm, Sweden. [Lundin, Daniel] Univ Paris 11, CNRS, Lab Phys Gaz & Plasmas, UMR 8578, F-91405 Orsay, France. [Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [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. RP Huo, CQ (reprint author), KTH Royal Inst Technol, Sch Elect Engn, Div Space & Plasma Phys, SE-10044 Stockholm, Sweden. EM nils.brenning@ee.kth.se RI Lundin, Daniel/C-8741-2009; Gudmundsson, Jon/D-2345-2012; Brenning, Nils/B-5965-2017; Anders, Andre/B-8580-2009 OI Lundin, Daniel/0000-0001-8591-1003; Gudmundsson, Jon/0000-0002-8153-3209; Anders, Andre/0000-0002-5313-6505 FU Swedish Research Council Post-Doctoral Fellowship [623-2011-757]; Icelandic Research Fund [130029-051]; US Department of Energy [DE-AC02-05CH11231] FX This work was partially supported by the Swedish Research Council Post-Doctoral Fellowship Grant no 623-2011-757 as well as by the Icelandic Research Fund Grant no 130029-051. This work benefited from stimulating discussion within the COST action MP0804. Work at LBNL, Berkeley, was supported by the US Department of Energy under Contract No DE-AC02-05CH11231. NR 30 TC 13 Z9 13 U1 6 U2 28 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 APR PY 2014 VL 23 IS 2 AR 025017 DI 10.1088/0963-0252/23/2/025017 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AJ7QH UT WOS:000337890700020 ER PT J AU Panjan, M Franz, R Anders, A AF Panjan, Matjaz Franz, Robert Anders, Andre TI Asymmetric particle fluxes from drifting ionization zones in sputtering magnetrons SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE high-power impulse magnetron sputtering; magnetron sputtering; ion flux; energy distribution functions ID PLASMA-OSCILLATIONS; ION-ENERGY; DISCHARGE; GAS; RAREFACTION; FLUCTUATIONS; SYSTEM AB Electron and ion fluxes from direct current and high-power impulse magnetron sputtering (dcMS and HiPIMS) plasmas were measured in the plane of the target surface. Biased collector probes and a particle energy and mass analyzer showed asymmetric emission of electrons and of singly and doubly charged ions. For both HiPIMS and dcMS discharges, higher fluxes of all types of particles were observed in the direction of the electrons' E x B drift. These results are put in the context with ionization zones that drift over the magnetron's racetrack. The measured currents of time-resolving collector probes suggest that a large fraction of the ion flux originates from drifting ionization zones, while energy-resolving mass spectrometry indicates that a large fraction of the ion energy is due to acceleration by an electric field. This supports the recently proposed hypothesis that each ionization zone is associated with a negative-positive-negative space charge structure, thereby producing an electric field that accelerates ions from the location where they were formed. C1 [Panjan, Matjaz; Franz, Robert; Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Panjan, Matjaz] Jozef Stefan Inst, SI-1000 Ljubljana, Slovenia. [Franz, Robert] Univ Leoben, A-8700 Leoben, Austria. RP Anders, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 53, Berkeley, CA 94720 USA. EM aanders@lbl.gov RI Anders, Andre/B-8580-2009; Franz, Robert/G-5263-2010 OI Anders, Andre/0000-0002-5313-6505; Franz, Robert/0000-0003-4842-7276 FU Fulbright Scholar Grant; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, of the US Department of Energy [DE-AC02-05CH11231]; Erwin Schrodinger Fellowship (Austrian Science Fund (FWF)) [J3168-N20] FX M Panjan and R Franz gratefully acknowledge support of a Fulbright Scholar Grant and an Erwin Schrodinger Fellowship (Austrian Science Fund (FWF), Project J3168-N20), respectively, which enabled their research at LBNL. A Anders was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, of the US Department of Energy, under Contract No DE-AC02-05CH11231. NR 45 TC 13 Z9 13 U1 1 U2 19 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 APR PY 2014 VL 23 IS 2 AR 025007 DI 10.1088/0963-0252/23/2/025007 PG 12 WC Physics, Fluids & Plasmas SC Physics GA AJ7QH UT WOS:000337890700010 ER PT J AU Manard, BT Gonzalez, JJ Sarkar, A Dong, MR Chirinos, J Mao, XL Russo, RE Marcus, RK AF Manard, Benjamin T. Gonzalez, Jhanis J. Sarkar, Arnab Dong, Meirong Chirinos, Jose Mao, Xianglei Russo, Richard E. Marcus, R. Kenneth TI Liquid sampling-atmospheric pressure glow discharge as a secondary excitation source: Assessment of plasma characteristics SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE LS-APGD; Laser ablation; Liquid sampling-atmospheric pressure glow discharge ID APGD IONIZATION SOURCE; ICP-MS MEASUREMENTS; LASER-ABLATION; OPTICAL-EMISSION; SOLUTION NEBULIZATION; ELEMENTAL ANALYSIS; SPECTROMETRY; SPECTROSCOPY; TEMPERATURE; DIAGNOSTICS AB The liquid sampling-atmospheric pressure glow discharge (LS-APGD) has been assessed as a secondary excitation source with a parametric evaluation regarding carrier gas flow rate, applied current, and electrode distance. With this parametric evaluation, plasma optical emission was monitored in order to obtain a fundamental understanding with regards to rotational temperature (T-rot), excitation temperature (T-exc), electron number density (n(e)), and plasma robustness. Incentive for these studies is not only for a greater overall fundamental knowledge of the APGD, but also in instrumenting a secondary excitation/ionization source following laser ablation (LA). Rotational temperatures were determined through experimentally fitting of the N-2 and OH molecular emission bands while atomic excitation temperatures were calculated using a Boltzmann distribution of He and Mg atomic lines. The rotational and excitation temperatures were determined to be -1000 K and -2700 K respectively. Electron number density was calculated to be on the order of similar to 3 x 10(15) cm(-3) utilizing Stark broadening effects of the Ha line of the Balmer series and a He I transition. In addition, those diagnostics were performed introducing magnesium (by solution feed and laser ablation) into the plasma in order to determine any perturbation under heavy matrix sampling. The so-called plasma robustness factor, derived by monitoring Mg II/Mg I emission ratios, is also employed as a reflection of potential perturbations in microplasma energetics across the various operation conditions and sample loadings. While truly a miniaturized source (<1 mm(3) volume), the LS-APGD is shown to be quite robust with plasma characteristics and temperatures being unaffected upon introduction of metal species, whether by liquid or laser ablation sample introduction. (C) 2014 Elsevier B.V. All rights reserved. C1 [Manard, Benjamin T.; Marcus, R. Kenneth] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. [Manard, Benjamin T.; Gonzalez, Jhanis J.; Sarkar, Arnab; Dong, Meirong; Chirinos, Jose; Mao, Xianglei; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sarkar, Arnab] Bhabha Atom Res Ctr, Div Fuel Chem, Bombay 400085, Maharashtra, India. RP Russo, RE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. OI Gonzalez, Jhanis/0000-0001-7271-1184; Sarkar, Arnab/0000-0003-3783-8299 FU Separations and Analysis Program, Chemical Sciences, Biosciences, and Geosciences Division, Office of Basic Energy Sciences of the U.S. Department of Energy at the Lawrence Berkeley National Laboratory [DE-ACO2-05CH11231] FX Research was supported by the Separations and Analysis Program, Chemical Sciences, Biosciences, and Geosciences Division, Office of Basic Energy Sciences of the U.S. Department of Energy under contract number DE-AC02-05CH11231 at the Lawrence Berkeley National Laboratory. NR 53 TC 12 Z9 12 U1 2 U2 27 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 APR-MAY PY 2014 VL 94-95 BP 39 EP 47 DI 10.1016/j.sab.2014.03.004 PG 9 WC Spectroscopy SC Spectroscopy GA AJ9AB UT WOS:000337998100007 ER PT J AU Noh, S Kasada, R Kimura, A Nagasaka, T Sokolov, MA Kim, TK AF Noh, Sanghoon Kasada, Ryuta Kimura, Akihiko Nagasaka, Takuya Sokolov, Mikhail A. Kim, Tae Kyu TI Interfacial microstructures and hardness distributions of vacuum plasma spraying W-coated ODS ferritic steels for fusion plasma facing applications SO FUSION ENGINEERING AND DESIGN LA English DT Article DE Tungsten; Oxide dispersion strengthened steels; Vacuum plasma spraying ID FERRITIC/MARTENSITIC STEEL; TUNGSTEN; DESIGN AB In the present study, interfacial microstructures and hardness distributions of W-coated ODS steels as plasma facing structural materials were investigated. A vacuum plasma spraying (VPS) technique was employed to fabricate a W layer on the surface of the ODS ferritic steel substrates. The microstructural observations revealed that the VPS-W has very fine grains aligned toward the spraying direction, and a favorable interface between W and ODS ferritic steels by a mechanical inter-locking without an intermetallic layer. However, crack-type defects were found in VPS-W. Because a brittle inter-diffused layer does not exist at the joint interface, the hardness was gradually distributed in the joint region. After neutron irradiation, irradiation hardening significantly occurred in the VPS-W. However, the hardening of VPS-W was less than that of bulk W irradiated at 773 K. Thus, the VPS is considered to be one of the promising ways to join dissimilar materials between Wand ODS steels, which can avoid the formation of an interfacial intermetallic layer and create favorable irradiation hardening resistance on the W coated layer. (C) 2014 Elsevier B.V. All rights reserved. C1 [Noh, Sanghoon; Kim, Tae Kyu] Korea Atom Energy Res Inst, Nucl Mat Div, Taejon, South Korea. [Kasada, Ryuta; Kimura, Akihiko] Kyoto Univ, Inst Adv Energy, Uji, Kyoto, Japan. [Nagasaka, Takuya] Natl Inst Nat Sci, Natl Inst Fus Sci, Toki, Gifu 5095292, Japan. [Sokolov, Mikhail A.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Noh, S (reprint author), Korea Atom Energy Res Inst, Nucl Mat Div, Taejon, South Korea. EM shnoh@kaeri.re.kr FU National Research Foundation of Korea (NRF) - Korea government(MEST) [2012M2A8A1027872]; japan/U.S. joint research project, TITAN (Tritium, Irradiation and Thermofluid for America and Nippon) FX This work was supported by japan/U.S. joint research project, TITAN (Tritium, Irradiation and Thermofluid for America and Nippon). This work was also supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government(MEST) (No. 2012M2A8A1027872). NR 16 TC 5 Z9 5 U1 1 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 EI 1873-7196 J9 FUSION ENG DES JI Fusion Eng. Des. PD APR PY 2014 VL 89 IS 4 BP 289 EP 293 DI 10.1016/j.fusengdes.2014.01.084 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AJ6AP UT WOS:000337772400004 ER PT J AU Zheng, JX Song, YT Breslau, J Neilson, GH AF Zheng, Jinxing Song, Yuntao Breslau, Joshua Neilson, George Hutch TI A Systematic study of modular coil characteristics for 2-field periods quasi-axisymmetric stellarator QAS-LA SO FUSION ENGINEERING AND DESIGN LA English DT Article DE QAS-LA; Magnet system; Modular coil; Stellarator ID PHYSICS; DESIGN AB Modular coil characteristics of a 2-field periods quasi-axisymmetric stellarator QAS-LA configuration with an aspect ratio A(p) =3, magnetic pressure similar to 4% and rotational transform t similar to 0.15 per field period supplied by its own shaping have been detailed studied. In addition, the characteristics of modular coils for QAS-LA were compared with those of an intermediate QA configuration QAS-LAx and a tokamak based on the same center magnet field B-0, aspect ratio and number of coils. As expected, the B-max/B-0, force F and overturning moment M, increase with the increased complexity of the coil shape. The relationships between the modular coils' parameters (such as radius curvature rho, distance from coil to coil Delta(c-c) and the cross-section of coils) and the electromagnetic characteristics have been systematically summarized. The approximate formula for the maximum magnetic field in the coil body as functions of modular coil parameters (Delta(c-c,) rho) was derived for a simple two wire system which will be useful when optimizations of coil properties are called for. (c) 2014 Elsevier B.V. All rights reserved. C1 [Zheng, Jinxing; Song, Yuntao] Chinese Acad Sci, Inst Plasma Phys, Hefei 230021, Anhui, Peoples R China. [Breslau, Joshua; Neilson, George Hutch] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Zheng, JX (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230021, Anhui, Peoples R China. EM jxzheng@ipp.ac.cn FU China National Magnetic Confinement Fusion Science Program [2011GB114000]; USA DoE grant [DE-AC02-09CH11466] FX The authors would like to express their sincere gratitude to L.P. Ku for guiding this work. The authors are also indebted to the Princeton Plasma Physics Laboratory for hosting the visit of the first two authors and making the computer codes available. We would like to thank authors and co-authors of VMEC, NESCOIL, and COILOPT. The work was supported by China National Magnetic Confinement Fusion Science Program (Grant No. 2011GB114000) for the first two authors and USA DoE grant DE-AC02-09CH11466 for the last two authors. NR 18 TC 1 Z9 1 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 EI 1873-7196 J9 FUSION ENG DES JI Fusion Eng. Des. PD APR PY 2014 VL 89 IS 4 BP 487 EP 501 DI 10.1016/j.fusengdes.2014.04.029 PG 15 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AJ6AP UT WOS:000337772400030 ER PT J AU Teague, M Gorman, B AF Teague, Melissa Gorman, Brian TI Utilization of dual-column focused ion beam and scanning electron microscope for three dimensional characterization of high burn-up mixed oxide fuel SO PROGRESS IN NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT 1st Symposium on the Scientific Basis of the Nuclear Fuel Cycle of the European-Material-Research-Society (EMRS) CY MAY 27-31, 2013 CL Strasbourg, FRANCE SP European Mat Res Soc DE Focused ion beam; Novel characterization techniques; High burn-up mixed oxide fuel ID RIM STRUCTURE; UO2 FUEL; MICROSTRUCTURAL CHARACTERIZATION; TEM; 3D; TOMOGRAPHY; BEHAVIOR; PELLETS; SAMPLE AB Developing a more fundamental understanding of fuel performance requires detailed characterization of irradiated fuel under a variety of conditions. Historically characterization was limited by instrumentation available. Great strides have been made in new characterization techniques, yet there application to irradiated fuels has been delayed due to the difficulty of working with the samples. This paper outlines the first results from the application of a dual-column focused ion beam along with energy dispersive spectroscopy and electron backscatter diffraction detectors to analyze the 3D structure of high burn-up MOX fuel. The applicability and advantages of the advanced techniques to irradiated fuel are also discussed. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Teague, Melissa] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Gorman, Brian] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. EM Melissa.teague@inl.gov; bgorman@mines.edu NR 28 TC 6 Z9 6 U1 2 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0149-1970 J9 PROG NUCL ENERG JI Prog. Nucl. Energy PD APR PY 2014 VL 72 SI SI BP 67 EP 71 DI 10.1016/j.pnucene.2013.08.006 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AJ4MV UT WOS:000337651400014 ER PT J AU Archer, CL Colle, BA Delle Monache, L Dvorak, MJ Lundquist, J Bailey, BH Beaucage, PE Churchfield, MJ Fitch, AC Kosovic, B Lee, S Moriarty, PJ Simao, H Stevens, RJAM Veron, D Zack, J AF Archer, Cristina L. Colle, Brian A. Delle Monache, Luca Dvorak, Michael J. Lundquist, Julie Bailey, Bruce H. Beaucage, Philipp E. Churchfield, Matthew J. Fitch, Anna C. Kosovic, Branko Lee, Sang Moriarty, Patrick J. Simao, Hugo Stevens, Richard J. A. M. Veron, Dana Zack, John TI Meteorology for Coastal/Offshore Wind Energy in the United States Recommendations and Research Needs for the Next 10 Years SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Editorial Material C1 [Archer, Cristina L.; Veron, Dana] Univ Delaware, Coll Earth Ocean & Environm, Newark, DE 19716 USA. [Colle, Brian A.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Delle Monache, Luca; Fitch, Anna C.; Kosovic, Branko] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Dvorak, Michael J.] Sailors Energy, Berkeley, CA USA. [Lundquist, Julie] Univ Colorado, Boulder, CO 80309 USA. [Lundquist, Julie; Churchfield, Matthew J.; Lee, Sang; Moriarty, Patrick J.] Natl Renewable Energy Lab, Golden, CO USA. [Bailey, Bruce H.; Beaucage, Philipp E.; Zack, John] AWS Truepower LLC, Albany, NY USA. [Simao, Hugo] Princeton Univ, Princeton, NJ 08544 USA. [Stevens, Richard J. A. M.] Johns Hopkins Univ, Baltimore, MD USA. [Stevens, Richard J. A. M.] Univ Twente, NL-7500 AE Enschede, Netherlands. RP Archer, CL (reprint author), Univ Delaware, Coll Earth Ocean & Environm, Newark, DE 19716 USA. EM carcher@udel.edu RI Stevens, Richard/A-5427-2009; Archer, Cristina/H-3105-2013; OI Stevens, Richard/0000-0001-6976-5704; Archer, Cristina/0000-0002-7837-7575; LUNDQUIST, JULIE/0000-0001-5490-2702 NR 0 TC 12 Z9 12 U1 2 U2 15 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD APR PY 2014 VL 95 IS 4 BP 515 EP 519 DI 10.1175/BAMS-D-13-00108.1 PG 5 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AI8MK UT WOS:000337170300003 ER PT J AU Wuebbles, D Meehl, G Hayhoe, K Karl, TR Kunkel, K Santer, B Wehner, M Colle, B Fischer, EM Fu, R Goodman, A Janssen, E Kharin, V Lee, H Li, WH Long, LN Olsen, SC Pan, ZT Seth, A Sheffield, J Sun, LQ AF Wuebbles, Donald Meehl, Gerald Hayhoe, Katharine Karl, Thomas R. Kunkel, Kenneth Santer, Benjamin Wehner, Michael Colle, Brian Fischer, Erich M. Fu, Rong Goodman, Alex Janssen, Emily Kharin, Viatcheslav Lee, Huikyo Li, Wenhong Long, Lindsey N. Olsen, Seth C. Pan, Zaitao Seth, Anji Sheffield, Justin Sun, Liqiang TI CMIP5 CLIMATE MODEL ANALYSES Climate Extremes in the United States SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID NORTH-AMERICAN MONSOON; PRECIPITATION EXTREMES; SIMULATIONS; TRENDS; UNCERTAINTIES; TEMPERATURE; KNOWLEDGE; TRACKING; EVENTS C1 [Wuebbles, Donald; Goodman, Alex; Janssen, Emily; Lee, Huikyo; Olsen, Seth C.] Univ Illinois, Urbana, IL 61801 USA. [Meehl, Gerald] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Hayhoe, Katharine] Texas Tech Univ, Lubbock, TX 79409 USA. [Karl, Thomas R.] NOAA, Natl Climat Data Ctr, Asheville, NC USA. [Kunkel, Kenneth; Sun, Liqiang] NOAA, Cooperat Inst Climate & Satellites, Asheville, NC USA. [Santer, Benjamin] Lawrence Livermore Natl Lab, Livermore, CA USA. [Wehner, Michael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Colle, Brian] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Fischer, Erich M.] ETH, Zurich, Switzerland. [Fu, Rong] Univ Texas Austin, Austin, TX 78712 USA. [Li, Wenhong] Duke Univ, Durham, NC USA. [Kharin, Viatcheslav] Canadian Ctr Climate Modelling & Anal, Victoria, BC, Canada. [Long, Lindsey N.] NOAA, NWS, NCEP, Camp Springs, MD USA. [Long, Lindsey N.] Wyle Labs, Camp Springs, MD USA. [Pan, Zaitao] St Louis Univ, St Louis, MO 63103 USA. [Seth, Anji] Univ Connecticut, Storrs, CT USA. [Sheffield, Justin] Princeton Univ, Princeton, NJ 08544 USA. RP Wuebbles, D (reprint author), Univ Illinois, Dept Atmospher Sci, 105 S Gregory Ave, Urbana, IL 61801 USA. EM wuebbles@illinois.edu RI Fischer, Erich/B-6067-2011; Santer, Benjamin/F-9781-2011 OI Fischer, Erich/0000-0003-1931-6737; FU NASA [NNX12AF32G]; Office of Biological and Environmental Research in the Department of Energy Office of Science [DE-AC02-05CH11231]; NSF [AGS-1147608]; NOAA [NA11OAR4310097]; NOAA Climate Program Office Modeling, Analysis, Predictions and Projections (MAPP) Program as part of the CMIP5 Task Force [NA11OAR4310104]; NOAA NESDIS through the Cooperative Institute for Climate and Satellites-North Carolina [NA09NES4400006] FX This work was supported in part by NASA Award NNX12AF32G (University of Illinois), from the Regional and Global Climate Modeling Program and the Earth System Modeling Program of the Office of Biological and Environmental Research in the Department of Energy Office of Science under Contract DE-AC02-05CH11231 (LBL), from NSF Grant AGS-1147608 (Duke), and by NOAA Award NA11OAR4310097 (Princeton University). We also acknowledge the support of NOAA Climate Program Office Modeling, Analysis, Predictions and Projections (MAPP) Program as part of the CMIP5 Task Force under Grant NA11OAR4310104 (Stony Brook) and NOAA NESDIS through the Cooperative Institute for Climate and Satellites-North Carolina under Cooperative Agreement NA09NES4400006. NR 48 TC 52 Z9 52 U1 8 U2 56 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD APR PY 2014 VL 95 IS 4 BP 571 EP 583 DI 10.1175/BAMS-D-12-00172.1 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AI8MK UT WOS:000337170300008 ER PT J AU Pleim, J Mathur, R Rao, ST Fast, J Baklanov, A AF Pleim, Jonathan Mathur, Rohit Rao, S. T. Fast, Jerome Baklanov, Alexander TI INTEGRATED METEOROLOGY AND CHEMISTRY MODELING Evaluation and Research Needs SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Editorial Material C1 [Pleim, Jonathan; Mathur, Rohit] US EPA, Res Triangle Pk, NC 27711 USA. [Rao, S. T.] N Carolina State Univ, Raleigh, NC 27695 USA. [Fast, Jerome] Pacific NW Natl Lab, Richland, WA 99352 USA. [Baklanov, Alexander] Danish Meteorol Inst, Lyngbyvej, Denmark. RP Pleim, J (reprint author), US EPA, E243-03, Res Triangle Pk, NC 27711 USA. EM pleim.jon@epa.gov RI Pleim, Jonathan Pleim/C-1331-2017 OI Pleim, Jonathan Pleim/0000-0001-6190-6082 NR 6 TC 0 Z9 0 U1 3 U2 10 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD APR PY 2014 VL 95 IS 4 BP ES81 EP ES84 DI 10.1175/BAMS-D-13-00107.1 PG 4 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AI8MK UT WOS:000337170300001 ER PT J AU Tfaily, MM Cooper, WT Kostka, JE Chanton, PR Schadt, CW Hanson, PJ Iversen, CM Chanton, JP AF Tfaily, Malak M. Cooper, William T. Kostka, Joel E. Chanton, Patrick R. Schadt, Christopher W. Hanson, Paul J. Iversen, Colleen M. Chanton, Jeffrey P. TI Organic matter transformation in the peat column at Marcell Experimental Forest: Humification and vertical stratification SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article DE peatlands; FT-IR spectroscopy; NMR spectroscopy; organic matter; vertical stratification; humification ID MAGNETIC-RESONANCE-SPECTROSCOPY; C-13 NMR-SPECTROSCOPY; STABLE CARBON-ISOTOPE; NORTHERN MINNESOTA; METHANE PRODUCTION; FTIR SPECTROSCOPY; HUMIC SUBSTANCES; WETLAND SOILS; DECOMPOSITION; PEATLANDS AB We characterized peat decomposition at the Marcell Experimental Forest (MEF), Minnesota, USA, to a depth of 2m to ascertain the underlying chemical changes using Fourier transform infrared (FT IR) and C-13 nuclear magnetic resonance (NMR) spectroscopy) and related these changes to decomposition proxies C:N ratio, C-13 and N-15, bulk density, and water content. FT IR determined that peat humification increased rapidly between 30 and 75cm, indicating a highly reactive intermediate-depth zone consistent with changes in C:N ratio, C-13 and N-15, bulk density, and water content. Peat decomposition at the MEF, especially in the intermediate-depth zone, is mainly characterized by preferential utilization of O-alkyl-C, carboxyl-C, and other oxygenated functionalities with a concomitant increase in the abundance of alkyl- and nitrogen-containing compounds. Below 75cm, less change was observed but aromatic functionalities and lignin accumulated with depth. Significant correlations with humification indices, identified by FT IR spectroscopy, were found for C:N ratios. Incubation studies at 22 degrees C revealed the highest methane production rates, greatest CH4:CO2 production ratios, and significant O-alkyl-C utilization within this 30 and 75cm zone. Oxygen-containing functionalities, especially O-alkyl-C, appear to serve as excellent proxies for soil decomposition rate and should be a sensitive indicator of the response of the solid phase peat to increased temperatures caused by climate change and the field study manipulations that are planned to occur at this site. Radiocarbon signatures of microbial respiration products in deeper pore waters at the MEF resembled the signatures of more modern dissolved organic carbon rather than solid phase peat, indicating that recently photosynthesized organic matter fueled the bulk of subsurface microbial respiration. These results indicate that carbon cycling at depth at the MEF is not isolated from surface processes. C1 [Tfaily, Malak M.; Chanton, Jeffrey P.] Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA. [Cooper, William T.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Kostka, Joel E.; Chanton, Patrick R.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Kostka, Joel E.; Chanton, Patrick R.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Schadt, Christopher W.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Schadt, Christopher W.; Hanson, Paul J.; Iversen, Colleen M.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA. [Hanson, Paul J.; Iversen, Colleen M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Tfaily, Malak M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Tfaily, MM (reprint author), Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA. EM malak.m.tfaily@gmail.com RI Hanson, Paul J./D-8069-2011; Schadt, Christopher/B-7143-2008; OI Hanson, Paul J./0000-0001-7293-3561; Schadt, Christopher/0000-0001-8759-2448; TFAILY, MALAK/0000-0002-3036-2833 FU Office of Biological and Environmental Research, Terrestrial Ecosystem Science Program under U.S. DOE [ER65245]; United States Department of Energy, Office of Science, Biological and Environmental Research [DE-AC05-00OR22725] FX We thank Randall Kolka, MN forest services, Xueju Lin, J. Megan Steinweg, and the rest of SPRUCE team for help with sample handling and providing laboratory space support. We thank Erik Hobbie for his valuable comments on the manuscript. Radiocarbon samples were run at the National Ocean Sciences Accelerator Mass Spectrometry Facility (NOSAMS). We thank Kathryn Elder, Sue Handwork, and Ann McNichol at NOSAMS for their expert work. We also would like to acknowledge Deanne Brice; Joanne Childs; Charles Garten, Jr.; Les Hook; Jana Phillips; Richard Norby; and David Weston for help with vegetation collection and processing. This work was supported by the Office of Biological and Environmental Research, Terrestrial Ecosystem Science Program, under U.S. DOE contract ER65245. The SPRUCE experiment is supported by the United States Department of Energy, Office of Science, Biological and Environmental Research under contract DE-AC05-00OR22725. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the United States Department of Energy. NR 71 TC 14 Z9 14 U1 5 U2 66 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-8953 EI 2169-8961 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD APR PY 2014 VL 119 IS 4 BP 661 EP 675 DI 10.1002/2013JG002492 PG 15 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA AI9UN UT WOS:000337285500012 ER PT J AU Qu, MH Wang, RZ Chen, Y Zhang, Y Li, KY Zhou, H Yan, H AF Qu, Ming-Hao Wang, Ru-Zhi Chen, Yan Zhang, Ying Li, Kai-Yu Zhou, Hua Yan, Hui TI Enhancing upconversion emission of Er, Yb co-doped highly transparent YF3 films by synergistic tuning nano-textured morphology and crystallinity SO JOURNAL OF LUMINESCENCE LA English DT Article DE Upconversion; Er, Yb codoped YF3 transparent films; Morphology and crystallinity ID SOLAR-CELLS; OXIDE-FILMS; TEMPERATURE; LUMINESCENCE; FLUORESCENCE; IONS AB Highly transparent Er, Yb codoped YF3 upconversion films were successfully prepared by electron beam deposition method. The effects of the substrate temperature on the morphology, crystallinity and emission characteristics of Er, Yb codoped YF3 films were studied carefully. It was found that the morphology and crystallinity varied from smooth amorphous to root intertwined polycrystalline structure with the substrate temperature increase. Besides, the emission characteristics of the films can be modulated by the synergy of their surface morphologies and crystallinities. Remarkably, a large enhancement of the upconversion emission, up to five decades while only an insignificant decrease of the optical transmittance (10% at most), was achieved by forming root-intertvvined polycrystalline structures. These highly transparent upconversion films may have good potential for enhancing the conversion efficiency of wide band gap solar cells. (C) 2013 Elsevier B.V. All rights reserved. C1 [Qu, Ming-Hao; Wang, Ru-Zhi; Zhang, Ying; Li, Kai-Yu; Yan, Hui] Beijing Univ Technol, Coll Mat Sci & Engn, Lab Thin Film Mat, Beijing 100124, Peoples R China. [Chen, Yan] Hong Kong Polytech Univ, Dept Appl Phys, Hunghom, Hong Kong, Peoples R China. [Zhou, Hua] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Wang, RZ (reprint author), Beijing Univ Technol, Coll Mat Sci & Engn, Lab Thin Film Mat, Beijing 100124, Peoples R China. EM wrz@bjut.edu.cn; hyan@bjut.edu.cn FU National Natural Science Foundation of China (NSFC) [51032002, 11274029, 11274028, 11074017]; Jing-Hua Talents Project of Beijing University of Technology [2014-JH-L07]; Beijing Nova Program [20081310]; Importation and Development of High-Caliber Talents Project of Beijing Municipal Institutions [CITTCD201204037)]; Foundation on the Creative Research Team Construction Promotion Project of Beijing Municipal Institution [IDHT20140506]; Basic Research Foundation of Beijing University of Technology FX The work was financially supported by the National Natural Science Foundation of China (NSFC) (Grant Nos. 51032002, 11274029, 11274028, and 11074017), the Jing-Hua Talents Project of Beijing University of Technology (No. 2014-JH-L07), the Beijing Nova Program (Grant No. 20081310), the Importation and Development of High-Caliber Talents Project of Beijing Municipal Institutions(No. CIT&TCD201204037), the Foundation on the Creative Research Team Construction Promotion Project of Beijing Municipal Institution (No. IDHT20140506), and the Basic Research Foundation of Beijing University of Technology. NR 20 TC 4 Z9 6 U1 5 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD APR PY 2014 VL 148 BP 181 EP 185 DI 10.1016/j.jlumin.2013.12.032 PG 5 WC Optics SC Optics GA AJ2TL UT WOS:000337516000031 ER PT J AU Zaluzec, NJ Burke, MG Haigh, SJ Kulzick, MA AF Zaluzec, Nestor J. Burke, M. Grace Haigh, Sarah J. Kulzick, Matthew A. TI X-ray Energy-Dispersive Spectrometry During In Situ Liquid Cell Studies Using an Analytical Electron Microscope SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE liquid cell; XEDS; EELS; microanalysis; eCell; STEM; TEM; AEM; spectroscopy; in situ ID LOSS SPECTROSCOPY; SPECIMENS; TEM AB The use of analytical spectroscopies during scanning/transmission electron microscope (S/TEM) investigations of micro- and nano-scale structures has become a routine technique in the arsenal of tools available to today's materials researchers. Essential to implementation and successful application of spectroscopy to characterization is the integration of numerous technologies, which include electron optics, specimen holders, and associated detectors. While this combination has been achieved in many instrument configurations, the integration of X-ray energy-dispersive spectroscopy and in situ liquid environmental cells in the S/TEM has to date been elusive. In this work we present the successful incorporation/modifications to a system that achieves this functionality for analytical electron microscopy. C1 [Zaluzec, Nestor J.] Argonne Natl Lab, Ctr Electron Microscopy, Argonne, IL 60439 USA. [Zaluzec, Nestor J.; Burke, M. Grace; Haigh, Sarah J.] Univ Manchester, Sch Mat, Mat Performance Ctr, Manchester M13 9PL, Lancs, England. [Zaluzec, Nestor J.; Burke, M. Grace; Haigh, Sarah J.] Univ Manchester, Ctr Electron Microscopy, Manchester M13 9PL, Lancs, England. [Kulzick, Matthew A.] BP Corp Res Ctr, Naperville, IL 60563 USA. RP Zaluzec, NJ (reprint author), Argonne Natl Lab, Ctr Electron Microscopy, 9700 S Cass Ave, Argonne, IL 60439 USA. EM Zaluzec@microscopy.com RI Haigh, Sarah/D-1309-2014 OI Haigh, Sarah/0000-0001-5509-6706 FU US DoE, Office of Basic Energy Sciences at the Electron Microscopy Center of Argonne National Laboratory [DE-AC02-06CH11357]; BP DRL Innovation Fund, EPSRC [EP/G035954/1, EP/J021172/1]; Defense Threat Reduction Agency [HDTRA1-12-1-0013]; FEI Titan [G2 80-200 200S/TEM]; University of Manchester FX The authors wish to acknowledge technical discussions and support from Protochips Inc., which facilitated this study. This work was supported by multiple research grants including: the US DoE, Office of Basic Energy Sciences, and Contract No. DE-AC02-06CH11357 at the Electron Microscopy Center of Argonne National Laboratory, the BP 2013 DRL Innovation Fund, EPSRC Grants # EP/G035954/1 and EP/J021172/1, and Defense Threat Reduction Agency grant HDTRA1-12-1-0013, the FEI Titan G2 80-200 200S/TEM and associated with research capability of the Nuclear Advanced Manufacturing Research Centre at the School of Materials, University of Manchester, Manchester, UK was provided by HM Government (UK). N.J.Z. also wishes to acknowledge support by the University of Manchester in the form of an appointment as a visiting professor in the School of Materials. NR 17 TC 13 Z9 13 U1 7 U2 45 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 APR PY 2014 VL 20 IS 2 BP 323 EP 329 DI 10.1017/S1431927614000154 PG 7 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700002 PM 24564969 ER PT J AU Niu, KY Liao, HG Zheng, HM AF Niu, Kai-Yang Liao, Hong-Gang Zheng, Haimei TI Visualization of the Coalescence of Bismuth Nanoparticles SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE liquid cell TEM; in situ TEM; coalescence; surface diffusion; grain boundary diffusion ID GRAIN-BOUNDARY DIFFUSION; MOLECULAR-DYNAMICS; AGGREGATIVE GROWTH; SURFACE-DIFFUSION; QUANTUM WIRES; 2 PARTICLES; IN-SITU; CAPILLARITY; PRECURSOR; PATHWAY AB Coalescence is a significant pathway for the growth of nanostructures. Here we studied the coalescence of Bi nanoparticles in situ by liquid cell transmission electron microscopy (TEM). The growth of Bi nanoparticles was initiated from a bismuth neodecanoate precursor solution by electron beam irradiation inside a liquid cell under the TEM. A significant number of coalescence events occurred from the as-grown Bi nanodots. Both symmetric coalescence of two equal-sized nanoparticles and asymmetric coalescence of two or more unequal-sized nanoparticles were analyzed along their growth trajectories. Our observation suggests that two mass transport mechanisms, i.e., surface diffusion and grain boundary diffusion, are responsible for the shape evolution of nanoparticles after a coalescence event. C1 [Niu, Kai-Yang; Liao, Hong-Gang; Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Zheng, HM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM hmzheng@lbl.gov RI Niu, Kaiyang/M-4765-2013; Liao, hong-gang/M-2476-2015 OI Niu, Kaiyang/0000-0003-3289-1322; FU US Department of Energy (DOE) [DE-AC02-05CH11231]; DOE Office of Science Early Career Research Program FX We performed in situ TEM experiments using Materials Sciences Division TEM facilities at Lawrence Berkeley National Laboratories (LBNL). We did ex situ liquid cell tests at the National Center for Electron Microscopy of LBNL, which is funded by the US Department of Energy (DOE) under Contract # DE-AC02-05CH11231. Niu would like to thank Dr. Huolin Xin for his help with image processing. We thank funding support from the DOE Office of Science Early Career Research Program. NR 42 TC 8 Z9 8 U1 6 U2 52 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 APR PY 2014 VL 20 IS 2 BP 416 EP 424 DI 10.1017/S1431927614000282 PG 9 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700010 PM 24636580 ER PT J AU Nielsen, MH Li, DS Zhang, HZ Aloni, S Han, TYJ Frandsen, C Seto, J Banfield, JF Colfen, H De Yoreo, JJ AF Nielsen, Michael H. Li, Dongsheng Zhang, Hengzhong Aloni, Shaul Han, T. Yong-Jin Frandsen, Cathrine Seto, Jong Banfield, Jillian F. Coelfen, Helmut De Yoreo, James J. TI Investigating Processes of Nanocrystal Formation and Transformation via Liquid Cell TEM SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE liquid cell TEM; nucleation; oriented attachment; crystal growth ID TRANSMISSION ELECTRON-MICROSCOPY; AMORPHOUS CALCIUM-CARBONATE; IN-SITU OBSERVATION; ORIENTED ATTACHMENT; CRYSTAL-GROWTH; PRENUCLEATION CLUSTERS; PRECURSOR PHASE; NUCLEATION; NANOPARTICLES; TEMPLATE AB Recent ex situ observations of crystallization in both natural and synthetic systems indicate that the classical models of nucleation and growth are inaccurate. However, in situ observations that can provide direct evidence for alternative models have been lacking due to the limited temporal and spatial resolution of experimental techniques that can observe dynamic processes in a bulk solution. Here we report results from liquid cell transmission electron microscopy studies of nucleation and growth of Au, CaCO3, and iron oxide nanoparticles. We show how these in situ data can be used to obtain direct evidence for the mechanisms underlying nanoparticle crystallization as well as dynamic information that provide constraints on important energetic parameters not available through ex situ methods. C1 [Nielsen, Michael H.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Li, Dongsheng; De Yoreo, James J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Zhang, Hengzhong; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Aloni, Shaul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Han, T. Yong-Jin] Lawrence Livermore Natl Lab, Phys Sci Directorate, Livermore, CA 94720 USA. [Frandsen, Cathrine] Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark. [Seto, Jong; Coelfen, Helmut] Univ Konstanz, Dept Phys Chem, D-78457 Constance, Germany. [Seto, Jong] Ecole Normale Super, Dept Chem, F-75005 Paris, France. RP De Yoreo, JJ (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM james.deyoreo@pnnl.gov RI Frandsen, Cathrine/A-5729-2011; Nielsen, Michael/D-1881-2015; Foundry, Molecular/G-9968-2014 OI Frandsen, Cathrine/0000-0001-5006-924X; FU US Department of Energy Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231]; US Department of Energy Office of Science, Office of Basic Energy Sciences; National Science Foundation [DMR-1312697, CHE-1213835]; DoD, Air Force Office of Scientific Research, National Defense Science and Engineering Graduate (NDSEG) Fellowship [32 CFR 168a]; Foundation Pierre-Gilles de Gennes in Paris, France; Danish Council for Independent Research; US Department of Energy [DE-AC02-05CH11231] FX Transmission electron microscopy was performed at the Molecular Foundry and the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, with support from the US Department of Energy Office of Science, Office of Basic Energy Sciences under Contract DE-AC02-05CH11231. Research on iron oxide was performed with support from US Department of Energy Office of Science, Office of Basic Energy Sciences. Research on calcium carbonate was performed with support from the National Science Foundation under grant DMR-1312697. M. H. Nielsen acknowledges Government support under and awarded by DoD, Air Force Office of Scientific Research, National Defense Science and Engineering Graduate (NDSEG) Fellowship, 32 CFR 168a. J. Seto acknowledges financial support from the Foundation Pierre-Gilles de Gennes in Paris, France. C. Frandsen acknowledges support from The Danish Council for Independent Research. H. Zhang and J. F. Banfield acknowledge support from the National Science Foundation (Grant no. CHE-1213835) and US Department of Energy (Contract no. DE-AC02-05CH11231). NR 55 TC 23 Z9 23 U1 22 U2 147 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 APR PY 2014 VL 20 IS 2 BP 425 EP 436 DI 10.1017/S1431927614000294 PG 12 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700011 PM 24625923 ER PT J AU Rudolph, AR Jungjohann, KL Wheeler, DR Brozik, SM AF Rudolph, Angela R. Jungjohann, Katherine L. Wheeler, David R. Brozik, Susan M. TI Drying Effect Creates False Assemblies in DNA-Coated Gold Nanoparticles as Determined Through In Situ Liquid Cell STEM SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE STEM; in situ; liquid cell; drying; nanoparticle; DNA; ordered; assembly ID TRANSMISSION ELECTRON-MICROSCOPY; GROWTH; NANOCRYSTALS AB The drying effect associated with utilizing transmission electron microscopy to study deoxyribonucleic acid (DNA)-coated gold nanoparticles (AuNPs) remains largely uninvestigated, though this technique is frequently utilized to characterize nanoparticle-DNA interactions. Investigation of the drying effect is essential to the progress of the many fields that utilize AuNPs, including cancer research. In this study, we compare DNA hybridization-directed nanoparticle assemblies with control samples omitting the necessary complementary DNA, effectively blocking directed assembly, in both the liquid state and the dry state, within a scanning transmission electron microscope. We show that the dry samples contain AuNPs spaced at significantly smaller intervals than identical samples measured in situ, with no dependence on the DNA bound to the AuNPs in the dry samples. A partially wet sample, with distances measured along the drying edge, provided an intermediate binding distance, strengthening the conclusion that drastic differences observed between the dry and in situ samples are due to a pronounced drying effect. This drying effect will falsely indicate certain grouping arrangements and will change the impression of the size of the groups formed, providing misinformation for the development of these controlled assemblies that could impact applications such as targeted drug vehicles for cancer treatment. C1 [Rudolph, Angela R.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. [Rudolph, Angela R.; Wheeler, David R.; Brozik, Susan M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Jungjohann, Katherine L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Jungjohann, KL (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM kljungj@sandia.gov FU Sandia National Laboratories under Laboratory Directed Research and Development (LDRD); US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX In situ STEM and low voltage TEM experiments were performed at the Center for Integrated Nanotechnologies, a DOE-BES supported national user facility. We recognize the assistance from Dr. M. Josefina Arellano-Jimenez for the low voltage TEM imaging. A. R. R., D. R. W, and S. M. B. acknowledge support provided through Sandia National Laboratories under Laboratory Directed Research and Development (LDRD). Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 26 TC 0 Z9 0 U1 1 U2 17 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 APR PY 2014 VL 20 IS 2 BP 437 EP 444 DI 10.1017/S143192761400018X PG 8 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700012 PM 24641789 ER PT J AU Unocic, RR Sacci, RL Brown, GM Veith, GM Dudney, NJ More, KL Walden, FS Gardiner, DS Damiano, J Nackashi, DP AF Unocic, Raymond R. Sacci, Robert L. Brown, Gilbert M. Veith, Gabriel M. Dudney, Nancy J. More, Karren L. Walden, Franklin S., II Gardiner, Daniel S. Damiano, John Nackashi, David P. TI Quantitative Electrochemical Measurements Using In Situ ec-S/TEM Devices SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE in situ ec-S; TEM; electrochemistry; microfluidic electrochemical cells; microelectrodes ID TRANSMISSION ELECTRON-MICROSCOPY; CYCLIC VOLTAMMETRY; LIQUID CELL; GROWTH; BEHAVIOR; MICROELECTRODES; SPECTROSCOPY; KINETICS; SYSTEMS; ABSENCE AB Insight into dynamic electrochemical processes can be obtained with in situ electrochemical-scanning/transmission electron microscopy (ec-S/TEM), a technique that utilizes microfluidic electrochemical cells to characterize electrochemical processes with S/TEM imaging, diffraction, or spectroscopy. The microfluidic electrochemical cell is composed of microfabricated devices with glassy carbon and platinum microband electrodes in a three-electrode cell configuration. To establish the validity of this method for quantitative in situ electrochemistry research, cyclic voltammetry (CV), choronoamperometry (CA), and electrochemical impedance spectroscopy (EIS) were performed using a standard one electron transfer redox couple [Fe(CN)(6)](3-/4-)-based electrolyte. Established relationships of the electrode geometry and microfluidic conditions were fitted with CV and chronoamperometic measurements of analyte diffusion coefficients and were found to agree with well-accepted values that are on the order of 10(-5) cm(2)/s. Influence of the electron beam on electrochemical measurements was found to be negligible during CV scans where the current profile varied only within a few nA with the electron beam on and off, which is well within the hysteresis between multiple CV scans. The combination of experimental results provides a validation that quantitative electrochemistry experiments can be performed with these small-scale microfluidic electrochemical cells provided that accurate geometrical electrode configurations, diffusion boundary layers, and microfluidic conditions are accounted for. C1 [Unocic, Raymond R.; More, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sacci, Robert L.; Veith, Gabriel M.; Dudney, Nancy J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Brown, Gilbert M.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Walden, Franklin S., II; Gardiner, Daniel S.; Damiano, John; Nackashi, David P.] Protochips Inc, Raleigh, NC 27606 USA. RP Unocic, RR (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM unocicrr@ornl.gov RI More, Karren/A-8097-2016; Dudney, Nancy/I-6361-2016; OI More, Karren/0000-0001-5223-9097; Dudney, Nancy/0000-0001-7729-6178; Unocic, Raymond/0000-0002-1777-8228 FU Fluid Interface Reactions Structures and Transport (FIRST) Center, an Energy Frontier Research Center - Department of Energy's Office of Basic Energy Sciences Division; Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS) - Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX Research supported by the Fluid Interface Reactions Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the Department of Energy's Office of Basic Energy Sciences Division. Research supported in part by Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 29 TC 16 Z9 16 U1 7 U2 57 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 APR PY 2014 VL 20 IS 2 BP 452 EP 461 DI 10.1017/S1431927614000166 PG 10 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700014 PM 24618013 ER PT J AU Mehdi, BL Gu, M Parent, LR Xu, W Nasybulin, EN Chen, XL Unocic, RR Xu, PH Welch, DA Abellan, P Zhang, JG Liu, J Wang, CM Arslan, I Evans, J Browning, ND AF Mehdi, B. Layla Gu, Meng Parent, Lucas R. Xu, Wu Nasybulin, Eduard N. Chen, Xilin Unocic, Raymond R. Xu, Pinghong Welch, David A. Abellan, Patricia Zhang, Ji-Guang Liu, Jun Wang, Chong-Min Arslan, Ilke Evans, James Browning, Nigel D. TI In-Situ Electrochemical Transmission Electron Microscopy for Battery Research SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE in-situ liquid ec-TEM; assembly of in-situ liquid electrochemical TEM cell; Li-ion battery; Si anode; Si nanowire lithiation; delithiation; Li-ion battery ID LITHIUM-ION BATTERIES; CYCLING EFFICIENCY; STRUCTURAL-CHANGES; THIN-FILMS; SILICON; LIQUID; LI; LITHIATION; GROWTH; DELITHIATION AB The recent development of in-situ liquid stages for (scanning) transmission electron microscopes now makes it possible for us to study the details of electrochemical processes under operando conditions. As electrochemical processes are complex, care must be taken to calibrate the system before any in-situ/operando observations. In addition, as the electron beam can cause effects that look similar to electrochemical processes at the electrolyte/electrode interface, an understanding of the role of the electron beam in modifying the operando observations must also be understood. In this paper we describe the design, assembly, and operation of an in-situ electrochemical cell, paying particular attention to the method for controlling and quantifying the experimental parameters. The use of this system is then demonstrated for the lithiation/delithiation of silicon nanowires. C1 [Mehdi, B. Layla; Parent, Lucas R.; Abellan, Patricia; Arslan, Ilke; Browning, Nigel D.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Gu, Meng; Wang, Chong-Min; Evans, James] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Xu, Wu; Nasybulin, Eduard N.; Chen, Xilin; Zhang, Ji-Guang; Liu, Jun] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Unocic, Raymond R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Xu, Pinghong; Welch, David A.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. RP Mehdi, BL (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM layla.mehdi@pnnl.gov RI Abellan, Patricia/G-4255-2011; OI Abellan, Patricia/0000-0002-5797-1102; Unocic, Raymond/0000-0002-1777-8228; Browning, Nigel/0000-0003-0491-251X; Xu, Wu/0000-0002-2685-8684 FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - US Department of Energy, Office of Science, Basic Energy Sciences; Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL); US Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) program [DE-AC02-05CH11231, 18769]; DOE's Office of Biological and Environmental Research; Battelle for the Department of Energy [DE-AC05-76RLO1830]; Fluid Interface Reactions Structures and Transport (FIRST) Center, an Energy Frontier Research Center - Office of Basic Energy Sciences (BES)-DOE (RRU) FX This work was supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the US Department of Energy, Office of Science, Basic Energy Sciences. Development of the electrochemical liquid cell is supported by the Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL). J. Zhang and Jun Liu would like to acknowledge the support of their time by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the US Department of Energy under Contract No. DE-AC02-05CH11231, Subcontract No. 18769 under the Batteries for Advanced Transportation Technologies (BATT) program. The work was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle for the Department of Energy under Contract DE-AC05-76RLO1830. The work in Oak Ridge is supported by the Fluid Interface Reactions Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the Office of Basic Energy Sciences (BES)-DOE (RRU). NR 45 TC 11 Z9 11 U1 13 U2 142 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 APR PY 2014 VL 20 IS 2 BP 484 EP 492 DI 10.1017/S1431927614000488 PG 9 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700017 PM 24755142 ER PT J AU Dahmen, T Baudoin, JP Lupini, AR Kubel, C Slusallek, P de Jonge, N AF Dahmen, Tim Baudoin, Jean-Pierre Lupini, Andrew R. Kuebel, Christian Slusallek, Philipp de Jonge, Niels TI Combined Scanning Transmission Electron Microscopy Tilt- and Focal Series SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE STEM; tomography; 3D; focal series; whole cell; nanoparticle; SART; 3D reconstruction; back projection ID STEM TOMOGRAPHY; BIOLOGICAL SPECIMENS; 3-DIMENSIONAL RECONSTRUCTION; AXIAL RESOLUTION; CELLS; ART; ALGORITHM AB In this study, a combined tilt- and focal series is proposed as a new recording scheme for high-angle annular dark-field scanning transmission electron microscopy (STEM) tomography. Three-dimensional (3D) data were acquired by mechanically tilting the specimen, and recording a through-focal series at each tilt direction. The sample was a whole-mount macrophage cell with embedded gold nanoparticles. The tilt-focal algebraic reconstruction technique (TF-ART) is introduced as a new algorithm to reconstruct tomograms from such combined tilt- and focal series. The feasibility of TF-ART was demonstrated by 3D reconstruction of the experimental 3D data. The results were compared with a conventional STEM tilt series of a similar sample. The combined tilt- and focal series led to smaller missing wedge artifacts, and a higher axial resolution than obtained for the STEM tilt series, thus improving on one of the main issues of tilt series-based electron tomography. C1 [Dahmen, Tim; Slusallek, Philipp] German Res Ctr Artificial Intelligence GmbH DFKI, D-66123 Saarbrucken, Germany. [Baudoin, Jean-Pierre; de Jonge, Niels] Vanderbilt Univ, Sch Med, Dept Mol Physiol & Biophys, Nashville, TN 37232 USA. [Lupini, Andrew R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Kuebel, Christian] Karlsruhe Inst Technol, D-76344 Eggenstein Leopoldshafen, Germany. [de Jonge, Niels] Leibniz Inst New Mat INM, D-66123 Saarbrucken, Germany. RP de Jonge, N (reprint author), Vanderbilt Univ, Sch Med, Dept Mol Physiol & Biophys, Nashville, TN 37232 USA. EM niels.dejonge@inm-gmbh.de RI de Jonge, Niels/B-5677-2008; OI Kuebel, Christian/0000-0001-5701-4006 FU US Department of Energy, Basic Energy Sciences, Material Sciences and Engineering Division; NIH [R01-GM081801] FX We thank Lukas Marsallek and Steve Pennycook for discussions, and Eduard Arzt for support through the Leibniz Institute for New Materials. Electron microscopy was performed at the SHaRE user facility at Oak Ridge National Laboratory, sponsored by the Office of Basic Energy Sciences, US Department of Energy, and at the Karlsruhe Nano Micro Facility, a Helmholtz research infrastructure at the Karlsruhe Institute of Technology. This research was supported by the US Department of Energy, Basic Energy Sciences, Material Sciences and Engineering Division, and by NIH grant R01-GM081801. NR 49 TC 11 Z9 11 U1 0 U2 11 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 APR PY 2014 VL 20 IS 2 BP 548 EP 560 DI 10.1017/S1431927614000075 PG 13 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700023 PM 24548618 ER PT J AU Parish, CM Miller, MK AF Parish, Chad M. Miller, Michael K. TI Aberration-Corrected X-Ray Spectrum Imaging and Fresnel Contrast to Differentiate Nanoclusters and Cavities in Helium-Irradiated Alloy 14YWT SO MICROSCOPY AND MICROANALYSIS LA English DT Review DE EDS; Fresnel contrast; aberration correction; multivariate statistical analysis; nanostructured ferritic alloy ID TRANSMISSION ELECTRON-MICROSCOPY; NANOSTRUCTURED FERRITIC ALLOY; MULTIVARIATE STATISTICAL-ANALYSIS; DISPERSION-STRENGTHENED STEELS; RADIATION-DAMAGE; MICROSTRUCTURAL EVOLUTION; MECHANICAL-PROPERTIES; STRUCTURAL-MATERIALS; MATERIALS CHALLENGES; SPATIAL-RESOLUTION AB Helium accumulation negatively impacts structural materials used in neutron-irradiated environments, such as fission and fusion reactors. Next-generation fission and fusion reactors will require structural materials, such as steels, that are resistant to large neutron doses yet see service temperatures in the range most affected by helium embrittlement. Previous work has indicated the difficulty of experimentally differentiating nanometer-sized cavities such as helium bubbles from the Ti-Y-O rich nanoclusters (NCs) in radiation-tolerant nanostructured ferritic alloys (NFAs). Because the NCs are expected to sequester helium away from grain boundaries and reduce embrittlement, experimental methods to study simultaneously the NC and bubble populations are needed. In this study, aberration-corrected scanning transmission electron microscopy (STEM) results combining high-collection-efficiency X-ray spectrum images (SIs), multivariate statistical analysis (MVSA), and Fresnel-contrast bright-field STEM imaging, have been used for such a purpose. Fresnel-contrast imaging, with careful attention to TEM-STEM reciprocity, differentiates bubbles from NCs. MVSA of X-ray SIs unambiguously identifies NCs. Therefore, combined Fresnel-contrast STEM and X-ray SI is an effective STEM-based method to characterize helium-bearing NFAs. C1 [Parish, Chad M.; Miller, Michael K.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Parish, CM (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM parishcm@ornl.gov RI Parish, Chad/J-8381-2013 FU Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy; ORNL's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; State of North Carolina; National Science Foundation FX This research was sponsored by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy, and through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. We acknowledge the use of the Analytical Instrumentation Facility (AIF) at North Carolina State University, which is supported by the State of North Carolina and the National Science Foundation. We thank Dr. D. T. Hoelzer of ORNL for providing the samples of the extruded 14YWT nanostructured ferritic alloy, Prof. A. Hallen of the Royal Institute of Technology, Kista, Sweden for performing the helium ion implantation, Prof. J.M. LeBeau, Dr. Xiahan Sang, and Dr. Yi Liu, NCSU, for assistance with the NCSU Titan, Prof. S.J. Zinkle, University of Tennessee, for suggesting the calculations relating to electron-beam sputtering and displacement, and Dr. D. A. Cullen and Dr. K. G. Field, ORNL, for critiquing the manuscript. NR 103 TC 9 Z9 9 U1 2 U2 25 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 APR PY 2014 VL 20 IS 2 BP 613 EP 626 DI 10.1017/S1431927614000312 PG 14 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700031 PM 24598435 ER PT J AU Sun, T Treacy, MMJ Li, T Zaluzec, NJ Gibson, JM AF Sun, Tao Treacy, Michael M. J. Li, Tian Zaluzec, Nestor J. Gibson, J. Murray TI The Importance of Averaging to Interpret Electron Correlographs of Disordered Materials SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE electron correlograph analysis; angular autocorrelation; amorphous; medium-range order; scanning transmission electron microscopy; electron diffraction ID MEDIUM-RANGE ORDER; FLUCTUATION MICROSCOPY; LOCAL-STRUCTURE; CRYSTALLIZATION; SCATTERING; PROBE AB The development of effective new tools for structural characterization of disordered materials and systems is becoming increasingly important as such tools provide the key to understanding, and ultimately controlling, their properties. The relatively novel technique of correlograph analysis (i.e., the approach of calculating angular autocorrelations within diffraction patterns) promises unique advantages for probing the local symmetries of disordered structures. Because correlograph analysis examines a component of the high-order four-body correlation function, it is more sensitive to medium-range ordering than conventional diffraction methods. As a follow-up of our previous publication, where we studied thin samples of sputtered amorphous silicon, we describe here the practical experimental method and common systematic errors of electron correlograph analysis. Using both experimental data and numerical simulations, we demonstrate that reliable structural information about the sample can only be extracted from the mean correlograph averaged over a sufficient number of individual results. C1 [Sun, Tao] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Treacy, Michael M. J.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Li, Tian] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Zaluzec, Nestor J.] Argonne Natl Lab, Electron Microscopy Ctr, Argonne, IL 60439 USA. [Gibson, J. Murray] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. RP Sun, T (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM taosun@aps.anl.gov; m.gibson@neu.edu FU US Department of Energy Office of Science Laboratory [DE-AC02-06CH11357]; US Department of Energy [DE-SC0004929] FX The authors would like to thank Prof. John Abelson's group at the University of Illinois at Urbana-Champaign for preparing the amorphous silicon thin films. The experiments were accomplished at the Electron Microscopy Center at Argonne National Laboratory, a US Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. MMJT is grateful for support under US Department of Energy, Contract No. DE-SC0004929. NR 20 TC 2 Z9 2 U1 0 U2 14 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 APR PY 2014 VL 20 IS 2 BP 627 EP 634 DI 10.1017/S1431927613014116 PG 8 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA AI9YQ UT WOS:000337304700032 PM 24552842 ER PT J AU Burr, T Hamada, MS AF Burr, T. Hamada, M. S. TI Analyzing censored data in the analysis of multiplicative repeatability and reproducibility studies SO ACCREDITATION AND QUALITY ASSURANCE LA English DT Article DE Censored data; Likelihood; Markov Chain Monte Carlo; Repeatability and reproducibility studies ID RESOLUTION; UNCERTAINTY AB Measurements from instruments are sometimes censored at or below the instrument's lower or upper limit of detection because the instruments have a calibrated response only over a certain data range. Near the ends of the range, the system reports a censored value such as "measurand value is less than threshold,'' or "measurand value is more than threshold.'' How should one analyze data that includes such "less than'' and/or "more than'' results and what is the impact of such censoring on estimation of variance components? To answer these two questions, this article makes three contributions: (1) It illustrates a straightforward numerical Bayesian analysis of such censored data based on the likelihood function, (2) it provides a simulation study to show the impact of increased amounts of censoring, and (3) it shows that if the true likelihood has an unknown form for measurand values near the threshold and another known form away from the threshold, then it is prudent for the measurement system to report censored values rather than actual values. Open source software to analyze censored data is provided as supplementary material. C1 [Burr, T.; Hamada, M. 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, Los Alamos, NM 87545 USA. EM tburr@lanl.gov FU DHS/DNDO FX We thank DHS/DNDO for supporting this work. NR 15 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-1775 EI 1432-0517 J9 ACCREDIT QUAL ASSUR JI Accredit. Qual. Assur. PD APR PY 2014 VL 19 IS 2 BP 75 EP 80 DI 10.1007/s00769-014-1044-9 PG 6 WC Chemistry, Analytical; Instruments & Instrumentation SC Chemistry; Instruments & Instrumentation GA AI6XH UT WOS:000337019900005 ER PT J AU Gao, W Wu, G Janicke, MT Cullen, DA Mukundan, R Baldwin, JK Brosha, EL Galande, C Ajayan, PM More, KL Dattelbaum, AM Zelenay, P AF Gao, Wei Wu, Gang Janicke, Michael T. Cullen, David A. Mukundan, Rangachary Baldwin, Jon K. Brosha, Eric L. Galande, Charudatta Ajayan, Pulickel M. More, Karren L. Dattelbaum, Andrew M. Zelenay, Piotr TI Ozonated Graphene Oxide Film as a Proton-Exchange Membrane SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE fuel cells; graphene oxide; ionic conductivity; ozonation; proton-exchange membrane ID GRAPHITE OXIDE; NANOSHEETS; TRANSPORT; CELLS AB Graphene oxide (GO) contains several chemical functional groups that are attached to the graphite basal plane and can be manipulated to tailor GO for specific applications. It is now revealed that the reaction of GO with ozone results in a high level of oxidation, which leads to significantly improved ionic (protonic) conductivity of the GO. Freestanding ozonated GO films were synthesized and used as efficient polymer electrolyte fuel cell membranes. The increase in protonic conductivity of the ozonated GO originates from enhanced proton hopping, which is due to the higher content of oxygenated functional groups in the basal planes and edges of ozonated GO as well as the morphology changes in GO that are caused by ozonation. The results of this study demonstrate that the modification of dispersed GO presents a powerful opportunity for optimizing a nanoscale material for proton-exchange membranes. C1 [Gao, Wei; Wu, Gang; Mukundan, Rangachary; Baldwin, Jon K.; Brosha, Eric L.; Dattelbaum, Andrew M.; Zelenay, Piotr] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Janicke, Michael T.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Cullen, David A.; More, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Galande, Charudatta; Ajayan, Pulickel M.] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77251 USA. RP Dattelbaum, AM (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM amdattel@lanl.gov; zelenay@lanl.gov RI Wu, Gang/E-8536-2010; Cullen, David/A-2918-2015; More, Karren/A-8097-2016; OI Wu, Gang/0000-0003-4956-5208; Cullen, David/0000-0002-2593-7866; More, Karren/0000-0001-5223-9097; Janicke, Michael/0000-0002-3139-2882; Mukundan, Rangachary/0000-0002-5679-3930 FU Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy (DOE) through the Fuel Cell Technologies Office; Los Alamos National Laboratory through the Laboratory Directed Research and Development (LDRD) program; Los Alamos National Laboratory through Director's Postdoctoral Fellowship; Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE FX Support from the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy (DOE) through the Fuel Cell Technologies Office and from Los Alamos National Laboratory through the Laboratory Directed Research and Development (LDRD) program and a Director's Postdoctoral Fellowship for W. G. is gratefully acknowledged. This work was done in part at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. DOE Office of Science by Los Alamos National Laboratory and Sandia National Laboratories. This research was supported in part by Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE. NR 26 TC 47 Z9 48 U1 12 U2 166 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD APR PY 2014 VL 53 IS 14 BP 3588 EP 3593 DI 10.1002/anie.201310908 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AI8NW UT WOS:000337176800003 PM 24677748 ER PT J AU Files, MD Kajimoto, M Priddy, CMO Ledee, DR Xu, C Rosiers, CD Isern, N Portman, MA AF Files, Matthew D. Kajimoto, Masaki Priddy, Colleen M. O'Kelly Ledee, Dolena R. Xu, Chun Des Rosiers, Christine Isern, Nancy Portman, Michael A. TI Triiodothyronine Facilitates Weaning From Extracorporeal Membrane Oxygenation by Improved Mitochondrial Substrate Utilization SO JOURNAL OF THE AMERICAN HEART ASSOCIATION LA English DT Article DE cardiac metabolism; congenital heart defects; extracorporeal circulation; thyroid hormone ID CITRIC-ACID CYCLE; IMMATURE SWINE HEART; CARDIOPULMONARY BYPASS; IN-VIVO; REPERFUSION; METABOLISM; PYRUVATE; FLUX; ISCHEMIA; CHILDREN AB Background-Extracorporeal membrane oxygenation (ECMO) provides a bridge to recovery after myocardial injury in infants and children, yet morbidity and mortality remain high. Weaning from the circuit requires adequate cardiac contractile function, which can be impaired by metabolic disturbances induced either by ischemia-reperfusion and/or by ECMO. We tested the hypothesis that although ECMO partially ameliorates metabolic abnormalities induced by ischemia-reperfusion, these abnormalities persist or recur with weaning. We also determined if thyroid hormone supplementation (triiodothyronine) during ECMO improves oxidative metabolism and cardiac function. Methods and Results-Neonatal piglets underwent transient coronary ischemia to induce cardiac injury then were separated into 4 groups based on loading status. Piglets without coronary ischemia served as controls. We infused into the left coronary artery [2-C-13]pyruvate and [C-13(6), N-15](L)-leucine to evaluate oxidative metabolism by gas chromatography-mass spectroscopy and nuclear magnetic resonance methods. ECMO improved survival, increased oxidative substrate contribution through pyruvate dehydrogenase, reduced succinate and fumarate accumulation, and ameliorated ATP depletion induced by ischemia. The functional and metabolic benefit of ECMO was lost with weaning, yet triiodothyronine supplementation during ECMO restored function, increased relative pyruvate dehydrogenase flux, reduced succinate and fumarate, and preserved ATP stores. Conclusions-Although ECMO provides metabolic rest by decreasing energy demand, metabolic impairments persist, and are exacerbated with weaning. Treating ECMO-induced thyroid depression with triiodothyronine improves substrate flux, myocardial oxidative capacity and cardiac contractile function. This translational model suggests that metabolic targeting can improve weaning. C1 [Files, Matthew D.; Portman, Michael A.] Seattle Childrens Hosp, Dept Cardiol, Seattle, WA USA. [Files, Matthew D.; Kajimoto, Masaki; Ledee, Dolena R.; Xu, Chun; Portman, Michael A.] Seattle Childrens Res Inst, Ctr Dev Therapeut, Seattle, WA 98101 USA. [Priddy, Colleen M. O'Kelly] Univ Washington, Dept Surg, Seattle, WA 98195 USA. [Des Rosiers, Christine] Univ Montreal, Dept Nutr, Montreal, PQ H3C 3J7, Canada. [Des Rosiers, Christine] Montreal Heart Inst, Montreal, PQ H1T 1C8, Canada. [Isern, Nancy] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA USA. RP Portman, MA (reprint author), Seattle Childrens Res Inst, 1900 9th Ave, Seattle, WA 98101 USA. EM michael.portman@seat-tlechildrens.org RI Des Rosiers, Christine/O-6285-2014 FU National Institutes of Health [R01HL60666] FX This work was supported by the National Institutes of Health (R01HL60666 to M. A. Portman). NR 35 TC 7 Z9 7 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2047-9980 J9 J AM HEART ASSOC JI J. Am. Heart Assoc. PD APR PY 2014 VL 3 IS 2 AR e000680 DI 10.1161/JAHA.113.000680 PG 12 WC Cardiac & Cardiovascular Systems SC Cardiovascular System & Cardiology GA AI3XC UT WOS:000336798000009 PM 24650924 ER PT J AU Xu, P Dauter, Z Kovac, P AF Xu, Peng Dauter, Zbigniew Kovac, Pavol TI Synthesis, Characterization, and Crystal Structure of Sodium (Methyl alpha-D-Mannopyranosid)uronate Monohydrate SO SYNTHESIS-STUTTGART LA English DT Article DE mannuronic acid; oxidation; chemoselective methylation; TEMPO; HPLC ID X-RAY-DIFFRACTION; D-MANNURONIC ACID; GLUCURONIC-ACID; HYPOCHLORITE; DERIVATIVES; OXIDATION; ALCOHOLS; ETHERS; TEMPO AB TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl)-mediated oxidation of methyl alpha-D-mannopyranoside with sodium hypochlorite gave sodium (methyl alpha-D-mannopyranosid)uronate, which was obtained as a crystalline monohydrate in similar to 70% yield without chromatography. Its purity was proved by NMR spectroscopy, a newly developed HPLC method, combustion analysis, and X-ray crystallography. The crystal structure, solved from synchrotron diffraction data in space group P2(1)2(1)2(1), revealed that the packing of the uronate molecules is connected by an extensive network of hydrogen bonds, and that the Na+ ion is coordinated by six oxygen ligands from one water and three surrounding sugar molecules. C1 [Xu, Peng; Kovac, Pavol] NIDDK, LBC, NIH, Bethesda, MD 20892 USA. [Dauter, Zbigniew] NCI, Macromol Crystallog Lab, Argonne Natl Lab, Argonne, IL 60439 USA. RP Kovac, P (reprint author), NIDDK, LBC, NIH, Bethesda, MD 20892 USA. EM kpn@helix.nih.gov FU NIH, NCI; NIH, NIDDK FX This research was supported by the Intramural Research Program of the NIH, NCI, and NIDDK. NR 24 TC 1 Z9 1 U1 1 U2 6 PU GEORG THIEME VERLAG KG PI STUTTGART PA RUDIGERSTR 14, D-70469 STUTTGART, GERMANY SN 0039-7881 EI 1437-210X J9 SYNTHESIS-STUTTGART JI Synthesis PD APR PY 2014 VL 46 IS 8 BP 1073 EP 1078 DI 10.1055/s-0033-1340843 PG 6 WC Chemistry, Organic SC Chemistry GA AI4MG UT WOS:000336838900007 ER PT J AU Lundmark, T Bergh, J Hofer, P Lundstrom, A Nordin, A Poudel, BC Sathre, R Taverna, R Werner, F AF Lundmark, Tomas Bergh, Johan Hofer, Peter Lundstrom, Anders Nordin, Annika Poudel, Bishnu Chandra Sathre, Roger Taverna, Ruedi Werner, Frank TI Potential Roles of Swedish Forestry in the Context of Climate Change Mitigation SO FORESTS LA English DT Article DE forest growth; harvest; substitution; carbon dioxide; abroad; in-country ID NORTH-CENTRAL SWEDEN; BIOMASS PRODUCTION; CARBON; MODEL; WOOD; CO2; SUBSTITUTION; MANAGEMENT; BALANCES; SINKS AB In Sweden, where forests cover more than 60% of the land area, silviculture and the use of forest products by industry and society play crucial roles in the national carbon balance. A scientific challenge is to understand how different forest management and wood use strategies can best contribute to climate change mitigation benefits. This study uses a set of models to analyze the effects of different forest management and wood use strategies in Sweden on carbon dioxide emissions and removals through 2105. If the present Swedish forest use strategy is continued, the long-term climate change mitigation benefit will correspond to more than 60 million tons of avoided or reduced emissions of carbon dioxide annually, compared to a scenario with similar consumption patterns in society but where non-renewable products are used instead of forest-based products. On average about 470 kg of carbon dioxide emissions are avoided for each cubic meter of biomass harvested, after accounting for carbon stock changes, substitution effects and all emissions related to forest management and industrial processes. Due to Sweden's large export share of forest-based products, the climate change mitigation effect of Swedish forestry is larger abroad than within the country. The study also shows that silvicultural methods to increase forest biomass production can further reduce net carbon dioxide emissions by an additional 40 million tons of per year. Forestry's contribution to climate change mitigation could be significantly increased if management of the boreal forest were oriented towards increased biomass production and if more wood were used to substitute fossil fuels and energy-intensive materials. C1 [Lundmark, Tomas] Swedish Univ Agr Sci SLU, Dept Forest Ecol & Management, S-90183 Umea, Sweden. [Bergh, Johan] Swedish Univ Agr Sci, Swedish Forest Res Ctr, S-23053 Alnarp, Sweden. [Hofer, Peter; Taverna, Ruedi] GEO Partner AG, CH-8050 Zurich, Switzerland. [Lundstrom, Anders] Swedish Univ Agr Sci SLU, Dept Forest Resource Management, S-90183 Umea, Sweden. [Nordin, Annika] Swedish Univ Agr Sci SLU, Dept Forest Genet & Plant Physiol, S-90183 Umea, Sweden. [Poudel, Bishnu Chandra] Mid Sweden Univ, S-83125 Ostersund, Sweden. [Sathre, Roger] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Werner, Frank] Werner Environm & Dev, CH-8003 Zurich, Switzerland. RP Lundmark, T (reprint author), Swedish Univ Agr Sci SLU, Dept Forest Ecol & Management, S-90183 Umea, Sweden. EM tomas.lundmark@slu.se; johan.bergh@slu.se; hofer@geopartner.ch; anders.lundstrom@slu.se; annika.nordin@slu.se; bishnu.poudel@miun.se; rsathre@lbl.gov; taverna@geopartner.ch; frank@frankwerner.ch RI Bergh, Johan/R-4501-2016 OI Bergh, Johan/0000-0003-4723-1626 FU European Union's Regional Development Fund; Future Forests research program at the Swedish University of Agricultural Sciences (SLU), Sweden FX We gratefully acknowledge financial support from the European Union's Regional Development Fund, and from the Future Forests research program at the Swedish University of Agricultural Sciences (SLU), Sweden. We thank the staff member of SLU Unit of Field Based Forest Research, for providing us with several statistical datasets. We are also very thankful to Goran Agren and Riita Hyvonen for advice and support provided on the use of soil carbon modeling. We are also thankful for the contribution of the anonymous reviewers. NR 66 TC 22 Z9 22 U1 10 U2 59 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1999-4907 J9 FORESTS JI Forests PD APR PY 2014 VL 5 IS 4 BP 557 EP 578 DI 10.3390/f5040557 PG 22 WC Forestry SC Forestry GA AI5KL UT WOS:000336905000001 ER PT J AU Choi, JH Dai, S Cha, JH Seol, Y AF Choi, Jeong-Hoon Dai, Sheng Cha, Jong-Ho Seol, Yongkoo TI Laboratory formation of noncementing hydrates in sandy sediments SO GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS LA English DT Article DE noncementing hydrate; saline water injection; temperature warming; cooling; compressional wave velocity; rock physics model ID METHANE HYDRATE; GAS-HYDRATE; PHYSICAL-PROPERTIES; MARINE-SEDIMENTS; POROUS-MEDIUM; WATER; DISSOCIATION; VELOCITIES; BEHAVIOR; GROWTH AB Natural hydrate-bearing sediment (HBS) predominantly exists in noncementing habit, and its limited availability for use in laboratory studies demands a time-effective and repeatable laboratory process for forming representative samples with natural accumulation habit. This study reports on a three-step laboratory process for forming noncementing methane hydrate in sandy sediments: (1) initial HBS formation under excess-gas conditions; (2) slow saline water (5 wt % CaCl2) injection under strictly controlled pressure-temperature (P-T) conditions; and (3) a temperature warming/cooling cycle. Changes in compressional wave velocity (V-p) of sediment, as well as P-T condition, were monitored throughout the tests. The evolution of V-p, in good agreement with rock physics model calculations, suggested that the transition from cementing hydrate into noncementing hydrate occurs during saline injection as well as temperature warming/cooling cycle. The proposed process appeared to be an efficient and consistent substitute for the existing methods, to form noncementing hydrate habit in sandy sediments. C1 [Choi, Jeong-Hoon; Dai, Sheng; Cha, Jong-Ho; Seol, Yongkoo] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Seol, Y (reprint author), US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM Yongkoo.seol@netl.doe.gov RI Dai, Sheng/A-1691-2015; OI Dai, Sheng/0000-0003-0221-3993 FU Oak Ridge Institute for Science and Education (ORISE) under U.S. Department of Energy (DOE) Postgraduate Research Program at NETL FX We thank Karl Jarvis (URS) for technical support and Wu Zhang (NETL), Richard Baker (NETL), Evgeniy Myshakin (URS), and Timothy Kneafsey (LBNL) for their discussions. J.-H. Choi, S. Dai, and J.-H. Cha are supported via the Oak Ridge Institute for Science and Education (ORISE) under a grant from the U.S. Department of Energy (DOE) Postgraduate Research Program at NETL. NR 45 TC 8 Z9 8 U1 3 U2 17 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1525-2027 J9 GEOCHEM GEOPHY GEOSY JI Geochem. Geophys. Geosyst. PD APR PY 2014 VL 15 IS 4 BP 1648 EP 1656 DI 10.1002/2014GC005287 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AH9VR UT WOS:000336493400050 ER PT J AU Kneifel, S Redl, S Orlandi, E Lohnert, U Cadeddu, MP Turner, DD Chen, MT AF Kneifel, Stefan Redl, Stephanie Orlandi, Emiliano Loehnert, Ulrich Cadeddu, Maria P. Turner, David D. Chen, Ming-Tang TI Absorption Properties of Supercooled Liquid Water between 31 and 225 GHz: Evaluation of Absorption Models Using Ground-Based Observations SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID CLOUD LIQUID; DIELECTRIC-RELAXATION; MICROWAVE RADIOMETER; ICE; PERMITTIVITY; TEMPERATURE; THZ; FREQUENCIES; RETRIEVAL; VAPOR AB Microwave radiometers (MWR) are commonly used to quantify the amount of supercooled liquid water (SLW) in clouds; however, the accuracy of the SLW retrievals is limited by the poor knowledge of the SLW dielectric properties at microwave frequencies. Six liquid water permittivity models were compared with ground-based MWR observations between 31 and 225 GHz from sites in Greenland, the German Alps, and a low-mountain site; average cloud temperatures of observed thin cloud layers range from 0 degrees to -33 degrees C. A recently published method to derive ratios of liquid water opacity from different frequencies was employed in this analysis. These ratios are independent of liquid water path and equal to the ratio of alpha(L) at those frequencies that can be directly compared with the permittivity model predictions. The observed opacity ratios from all sites show highly consistent results that are generally within the range of model predictions; however, none of the models are able to approximate the observations over the entire frequency and temperature range. Findings in earlier published studies were used to select one specific model as a reference model for alpha(L) at 90 GHz; together with the observed opacity ratios, the temperature dependence of alpha(L) at 31.4, 52.28, 150, and 225 GHz was derived. The results reveal that two models fit the opacity ratio data better than the other four models, with one of the two models fitting the data better for frequencies below 90GHz and the other for higher frequencies. These findings are relevant for SLW retrievals and radiative transfer in the 31-225-GHz frequency region. C1 [Kneifel, Stefan; Redl, Stephanie] Univ Cologne, Climate Monitoring Branch, Hans Ertel Ctr Weather Res, D-50969 Cologne, Germany. [Kneifel, Stefan; Orlandi, Emiliano; Loehnert, Ulrich] Univ Cologne, Inst Geophys & Meteorol, D-50969 Cologne, Germany. [Cadeddu, Maria P.] Argonne Natl Lab, Argonne, IL 60439 USA. [Turner, David D.] NOAA, Natl Severe Storms Lab, Norman, OK 73069 USA. [Chen, Ming-Tang] Acad Sinica, Inst Astron & Astrophys, Taipei 115, Taiwan. RP Kneifel, S (reprint author), Univ Cologne, Inst Geophys & Meteorol, Pohligstr 3, D-50969 Cologne, Germany. EM skneifel@meteo.uni-koeln.de RI Lohnert, Ulrich/C-3303-2013; Kneifel, Stefan/A-2044-2015 OI Lohnert, Ulrich/0000-0002-9023-0269; Kneifel, Stefan/0000-0003-2220-2968 FU German Science Foundation (DFG) [LO 901/3-1]; DFG [WU 356/4-2]; U.S. National Science Foundation under Arctic Observing Network (AON) program [ARC-0856773, 0904152, 0856559]; U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; DFG priority program High Altitude and Long Range Research Aircraft [SPP 1294, GZ: CR 111/9-1] FX The data from the UFS site used in this study were collected as part of the TOSCA campaign, which has been funded by the German Science Foundation (DFG) under Grant LO 901/3-1. The radiosonde, cloud radar, and lidar observations at the FKB site were collected by the U.S. Department of Energy ARM's mobile facility as part of COPS; the MWR data at the FKB site have been collected during the GOP campaign, which has been funded by DFG under Grant WU 356/4-2. ICECAPS is supported by the U.S. National Science Foundation under Grants ARC-0856773, 0904152, and 0856559 as part of the Arctic Observing Network (AON) program, with additional instrumentation support provided by the NOAA Earth System Research Laboratory, ARM, and Environment Canada. ICECAPS data are available via the ARM data archive. Argonne National Laboratory's work was supported by the U.S. Department of Energy, Office of Science, under Contract DE-AC02-06CH11357. Research done by Stefan Kneifel and Stephanie Redl has been carried out within the Hans Ertel Centre for Weather Research. Climate Monitoring Branch. Contributions from Emiliano Orlandi have been financed by the DFG priority program High Altitude and Long Range Research Aircraft [HALO (SPP 1294) Project: Using the HALO Microwave Package (HAMP) for cloud and precipitation research, GZ: CR 111/9-1]. The authors are also very grateful to Susanne Crewell (University of Cologne) for many fruitful discussions. Constructive comments from three anonymous reviewers are also gratefully recognized. NR 40 TC 9 Z9 9 U1 1 U2 6 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 APR PY 2014 VL 53 IS 4 BP 1028 EP 1045 DI 10.1175/JAMC-D-13-0214.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AH9GG UT WOS:000336449300015 ER PT J AU Rubenchik, AM Fedoruk, MP Turitsyn, SK AF Rubenchik, Alexander M. Fedoruk, Michail P. Turitsyn, Sergei K. TI The effect of self-focusing on laser space-debris cleaning SO LIGHT-SCIENCE & APPLICATIONS LA English DT Article DE laser; self-focusing; space debris ID ROTATIONAL RAMAN-SCATTERING AB A ground-based laser system for space-debris cleaning will use powerful laser pulses that can self-focus while propagating through the atmosphere. We demonstrate that for the relevant laser parameters, this self-focusing can noticeably decrease the laser intensity on the target. We show that the detrimental effect can be, to a great extent, compensated for by applying the optimal initial beam defocusing. The effect of laser elevation on the system performance is discussed. C1 [Rubenchik, Alexander M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fedoruk, Michail P.] Russian Acad Sci, Siberian Branch, Inst Computat Technol, Novosibirsk 630090, Russia. [Fedoruk, Michail P.; Turitsyn, Sergei K.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Turitsyn, Sergei K.] Aston Univ, Sch Engn & Appl Sci, Aston Inst Photon Technol, Birmingham B4 7ET, W Midlands, England. RP Turitsyn, SK (reprint author), Aston Univ, Sch Engn & Appl Sci, Aston Inst Photon Technol, Birmingham B4 7ET, W Midlands, England. EM s.k.turitsyn@aston.ac.uk FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; ERC; Ministry of Education and Science of the Russian Federation [14.B25.31.0003] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The support of the ERC and the grant from the Ministry of Education and Science of the Russian Federation (agreement no. 14.B25.31.0003) are acknowledged. NR 14 TC 9 Z9 9 U1 3 U2 12 PU CHINESE ACAD SCIENCES, CHANGCHUN INST OPTICS FINE MECHANICS AND PHYSICS PI CHANGCHUN PA 3888, DONGNANHU ROAD, CHANGCHUN, 130033, PEOPLES R CHINA SN 2047-7538 J9 LIGHT-SCI APPL JI Light-Sci. Appl. PD APR PY 2014 VL 3 AR e159 DI 10.1038/lsa.2014.40 PG 6 WC Optics SC Optics GA AI5JL UT WOS:000336902100002 ER PT J AU Canini, L Conway, JM Perelson, AS Carrat, F AF Canini, Laetitia Conway, Jessica M. Perelson, Alan S. Carrat, Fabrice TI Impact of Different Oseltamivir Regimens on Treating Influenza A Virus Infection and Resistance Emergence: Insights from a Modelling Study SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID NEURAMINIDASE INHIBITOR OSELTAMIVIR; RANDOMIZED CONTROLLED-TRIAL; ADAPTIVE IMMUNE-RESPONSE; EFFICACY; CHILDREN; SAFETY; PHARMACOKINETICS; SURVEILLANCE; METAANALYSIS; BANGLADESH AB Several studies have proven oseltamivir to be efficient in reducing influenza viral titer and symptom intensity. However, the usefulness of oseltamivir can be compromised by the emergence and spread of drug-resistant virus. The selective pressure exerted by different oseltamivir therapy regimens have received little attention. Combining models of drug pharmacokinetics, pharmacodynamics, viral kinetics and symptom dynamics, we explored the efficacy of oseltamivir in reducing both symptoms (symptom efficacy) and viral load (virological efficacy). We simulated samples of 1000 subjects using previously estimated between-subject variability in viral and symptom dynamic parameters to describe the observed heterogeneity in a patient population. We simulated random mutations conferring resistance to oseltamivir. We explored the effect of therapy initiation time, dose, intake frequency and therapy duration on influenza infection, illness dynamics, and emergence of viral resistance. Symptom and virological efficacies were strongly associated with therapy initiation time. The proportion of subjects shedding resistant virus was 27-fold higher when prophylaxis was initiated during the incubation period compared with no treatment. It fell to below 1% when treatment was initiated after symptom onset for twice-a-day intakes. Lower doses and prophylaxis regimens led to lower efficacies and increased risk of resistance emergence. We conclude that prophylaxis initiated during the incubation period is the main factor leading to resistance emergence. C1 [Canini, Laetitia; Carrat, Fabrice] Inst Pierre Louis Epidemiol & Sante Publ, INSERM, UMR S 1136, Paris, France. [Canini, Laetitia; Carrat, Fabrice] Univ Paris 06, Sorbonne Univ, Inst Pierre Louis Epidemiol & Sante Publ, UMR S 1136, Paris, France. [Canini, Laetitia; Conway, Jessica M.; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Carrat, Fabrice] Hop St Antoine, AP HP, F-75571 Paris, France. RP Canini, L (reprint author), Inst Pierre Louis Epidemiol & Sante Publ, INSERM, UMR S 1136, Paris, France. EM laetitia.canini@gmail.com OI CARRAT, fabrice/0000-0002-8672-7918 FU European Union [20160]; French Ministere de l'Enseignement Superieur et de la Recherche; National Institute of Health [OD011095]; NIH [HH5N272201000055C] FX This work was supported by grants from the European Union FP7 project FLUMODCONT (no. 20160), from the French Ministere de l'Enseignement Superieur et de la Recherche, the National Institute of Health (OD011095) and NIH contract HH5N272201000055C. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 55 TC 13 Z9 13 U1 2 U2 14 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-734X EI 1553-7358 J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD APR PY 2014 VL 10 IS 4 AR e1003568 DI 10.1371/journal.pcbi.1003568 PG 12 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA AI0AF UT WOS:000336507500033 PM 24743564 ER PT J AU Back, BB Clark, JA Pardo, RC Rehm, KE Savard, G AF Back, B. B. Clark, J. A. Pardo, R. C. Rehm, K. E. Savard, G. TI Astrophysics experiments with radioactive beams at ATLAS SO AIP ADVANCES LA English DT Article ID NEUTRON-RICH ISOTOPES; X-RAY-BURSTS; PENNING TRAP; R-PROCESS; NUCLEAR ASTROPHYSICS; MASS MEASUREMENTS; HEAVY-ELEMENTS; ION-BEAMS; ENERGIES; STARS AB Reactions involving short-lived nuclei play an important role in nuclear astrophysics, especially in explosive scenarios which occur in novae, supernovae or X-ray bursts. This article describes the nuclear astrophysics program with radioactive ion beams at the ATLAS accelerator at Argonne National Laboratory. The CARIBU facility as well as recent improvements for the in-flight technique are discussed. New detectors which are important for studies of the rapid proton or the rapid neutron-capture processes are described. At the end we briefly mention plans for future upgrades to enhance the intensity, purity and the range of in-flight and CARIBU beams. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Back, B. B.; Clark, J. A.; Pardo, R. C.; Rehm, K. E.; Savard, G.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Back, BB (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM rehm@anl.gov OI Pardo, Richard/0000-0002-8264-9430 FU US Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357] FX We thank Benjamin Kay for a careful reading of this manuscript. We also are grateful to Martin Alcorta, Clayton Dickerson, Shashi Manaconda, and Brahim Mustapha for their contributions to the reaction simulations presented in this review. This work was supported by the US Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357. NR 81 TC 1 Z9 1 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD APR PY 2014 VL 4 IS 4 AR 041005 DI 10.1063/1.4865588 PG 29 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AH4FG UT WOS:000336082000006 ER PT J AU Bertolli, M Chipps, KA AF Bertolli, M. Chipps, K. A. TI Preface to Special Topic: Stardust: Progress and Problems in Nuclear Astrophysics SO AIP ADVANCES LA English DT Editorial Material C1 [Bertolli, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Chipps, K. A.] Univ Tennessee, Knoxville, TN 37996 USA. [Chipps, K. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Bertolli, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM bertollimg@ornl.gov; kchipps@nuclearemail.org NR 22 TC 0 Z9 0 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD APR PY 2014 VL 4 IS 4 AR 040901 DI 10.1063/1.4874555 PG 3 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AH4FG UT WOS:000336082000001 ER PT J AU Fryer, CL Even, W Grefenstette, BW Wong, TW AF Fryer, Chris L. Even, Wesley Grefenstette, Brian W. Wong, Tsing-Wai TI Observational constraints of stellar collapse: Diagnostic probes of nature's extreme matter experiment SO AIP ADVANCES LA English DT Article ID METAL-POOR STARS; R-PROCESS NUCLEOSYNTHESIS; GAMMA-RAY BURST; COMPACT OBJECT FORMATION; NEUTRINO-DRIVEN WINDS; II-P SUPERNOVAE; MASS-DISTRIBUTION; BLACK-HOLES; CASSIOPEIA-A; BINARY CHARACTERISTICS AB Supernovae are Nature's high-energy, high density laboratory experiments, reaching densities in excess of nuclear densities and temperatures above 10 MeV. Astronomers have built up a suite of diagnostics to study these supernovae. If we can utilize these diagnostics, and tie them together with a theoretical understanding of supernova physics, we can use these cosmic explosions to study the nature of matter at these extreme densities and temperatures. Capitalizing on these diagnostics will require understanding a wide range of additional physics. Here we review the diagnostics and the physics neeeded to use them to learn about the supernova engine, and ultimate nuclear physics. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Fryer, Chris L.; Even, Wesley] Los Alamos Natl Lab, CCS Div, Los Alamos, NM 87545 USA. [Grefenstette, Brian W.] CALTECH, Space Radiat Lab, Pasadena, CA 91125 USA. [Wong, Tsing-Wai] Northwestern Univ, CIERA, Evanston, IL 60208 USA. [Wong, Tsing-Wai] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Wong, Tsing-Wai] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Fryer, Chris L.] Los Alamos Natl Lab, Dept Phys & Astron, Los Alamos, NM 87545 USA. [Fryer, Chris L.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. RP Fryer, CL (reprint author), Los Alamos Natl Lab, CCS Div, POB 1663, Los Alamos, NM 87545 USA. EM fryer@lanl.gov OI Even, Wesley/0000-0002-5412-3618 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX The work of C.L.F. and W.E. was done 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. NR 166 TC 3 Z9 3 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD APR PY 2014 VL 4 IS 4 AR 041014 DI 10.1063/1.4870404 PG 26 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AH4FG UT WOS:000336082000015 ER PT J AU Hix, WR Lentz, EJ Endeve, E Baird, M Chertkow, MA Harris, JA Messer, OEB Mezzacappa, A Bruenn, S Blondin, J AF Hix, W. Raphael Lentz, Eric J. Endeve, Eirik Baird, Mark Chertkow, M. Austin Harris, J. Austin Messer, O. E. Bronson Mezzacappa, Anthony Bruenn, Stephen Blondin, John TI Essential ingredients in core-collapse supernovae SO AIP ADVANCES LA English DT Article ID ACCRETION-SHOCK INSTABILITY; EQUATION-OF-STATE; RAYLEIGH-TAYLOR INSTABILITIES; SPECTRAL NEUTRINO TRANSPORT; ROTATING MASSIVE STARS; HEAVY-ION COLLISIONS; X-RAY OBSERVATIONS; CIRCLE-DOT STARS; II SUPERNOVAE; DRIVEN SUPERNOVA AB Carrying 10(44) joules of kinetic energy and a rich mix of newly synthesized atomic nuclei, core-collapse supernovae are the preeminent foundries of the nuclear species which make up our solar system and ourselves. Signaling the inevitable death of a massive star, and the birth of a neutron star or black hole, core-collapse supernovae combine physics over a wide range in spatial scales, from kilometer-sized hydrodynamic motions (eventually growing to gigameter scale) down to femtometer-scale nuclear reactions. We will discuss our emerging understanding of the convectively-unstable, neutrino-driven explosion mechanism, based on increasingly realistic neutrino radiation hydrodynamic simulations that include progressively better nuclear and particle physics. Multi-dimensional models with spectral neutrino transport from several research groups, which slowly develop successful explosions for a range of progenitors, have recently motivated changes in our understanding of the neutrino reheating mechanism. In a similar fashion, improvements in nuclear physics, most notably explorations of weak interactions on nuclei and the nuclear equation of state, continue to refine our understanding of the births of neutron stars and the supernovae that result. Recent progress on both the macroscopic and microscopic effects that affect core-collapse supernovae are discussed. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Hix, W. Raphael; Messer, O. E. Bronson] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Hix, W. Raphael; Lentz, Eric J.; Chertkow, M. Austin; Harris, J. Austin; Messer, O. E. Bronson; Mezzacappa, Anthony] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Endeve, Eirik] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Baird, Mark] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. [Messer, O. E. Bronson] Oak Ridge Natl Lab, Ctr Computat Sci, Oak Ridge, TN 37831 USA. [Mezzacappa, Anthony] Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. [Bruenn, Stephen] Florida Atlantic Univ, Dept Phys, Boca Raton, FL 33431 USA. [Blondin, John] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. RP Hix, WR (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RI Messer, Bronson/G-1848-2012; Lentz, Eric/M-7173-2015; Hix, William/E-7896-2011; Mezzacappa, Anthony/B-3163-2017; OI Messer, Bronson/0000-0002-5358-5415; Lentz, Eric/0000-0002-5231-0532; Hix, William/0000-0002-9481-9126; Mezzacappa, Anthony/0000-0001-9816-9741; Endeve, Eirik/0000-0003-1251-9507; Harris, J. Austin/0000-0003-3023-7140 FU NASA Astrophysics Theory Program [NNH11AQ72I]; NSF [OCI-0749242, AST-0653376]; Department of Energy Offices of Nuclear Physics and Advanced Scientific Computing Research; NSF's TeraGrid at the National Institute for Computational Sciences [TG-MCA08X010]; U.S. DoE Office of Science [DE-AC02-05CH11231, DE-AC05-00OR22725] FX This work has been supported by grants from the NASA Astrophysics Theory Program (NNH11AQ72I) and the NSF PetaApps, Nuclear Physics and Stellar Astrophysics Programs (OCI-0749242,AST-0653376) and by the Department of Energy Offices of Nuclear Physics and Advanced Scientific Computing Research. Computational resources were provided by the NSF's TeraGrid at the National Institute for Computational Sciences under grant number TG-MCA08X010; by the National Energy Research Scientific Computing Center, supported by the U.S. DoE Office of Science under Contract No. DE-AC02-05CH11231; and by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program at the Oak Ridge Leadership Computing Facility, supported by the U.S. DoE Office of Science under Contract No. DE-AC05-00OR22725. NR 227 TC 10 Z9 10 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD APR PY 2014 VL 4 IS 4 AR 041013 DI 10.1063/1.4870009 PG 32 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AH4FG UT WOS:000336082000014 ER PT J AU Pain, SD AF Pain, S. D. TI Advances in instrumentation for nuclear astrophysics SO AIP ADVANCES LA English DT Article ID GAS-JET TARGET; RECOIL SEPARATOR; DRAGON FACILITY; CONSTRUCTION; BEAM; GAMMASPHERE; SCATTERING; DETECTOR; CAPTURE; ARES AB The study of the nuclear physics properties which govern energy generation and nucleosynthesis in the astrophysical phenomena we observe in the universe is crucial to understanding how these objects behave and how the chemical history of the universe evolved to its present state. The low cross sections and short nuclear lifetimes involved in many of these reactions make their experimental determination challenging, requiring developments in beams and instrumentation. A selection of developments in nuclear astrophysics instrumentation is discussed, using as examples projects involving the nuclear astrophysics group at Oak Ridge National Laboratory. These developments will be key to the instrumentation necessary to fully exploit nuclear astrophysics opportunities at the Facility for Rare Isotope Beams which is currently under construction. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Pain, SD (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RI Pain, Steven/E-1188-2011 OI Pain, Steven/0000-0003-3081-688X FU US Department of Energy; National Science Foundation FX The author wishes to express thanks to D. W. Bardayan, K. A. Chipps, R. L. Kozub, P. D. O'Malley, A. Ratkiewicz and H. Schatz for material and discussions presented herein. Work presented was funded in part by the US Department of Energy and the National Science Foundation. NR 37 TC 9 Z9 9 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD APR PY 2014 VL 4 IS 4 AR 041015 DI 10.1063/1.4874116 PG 14 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AH4FG UT WOS:000336082000016 ER PT J AU Surman, R Mumpower, M Sinclair, R Jones, KL Hix, WR McLaughlin, GC AF Surman, R. Mumpower, M. Sinclair, R. Jones, K. L. Hix, W. R. McLaughlin, G. C. TI Sensitivity studies for the weak r process: neutron capture rates SO AIP ADVANCES LA English DT Article ID DRIVEN WINDS; PROCESS NUCLEOSYNTHESIS; NUCLEAR-PHYSICS; S-PROCESS; ELEMENTS; STARS AB Rapid neutron capture nucleosynthesis involves thousands of nuclear species far from stability, whose nuclear properties need to be understood in order to accurately predict nucleosynthetic outcomes. Recently sensitivity studies have provided a deeper understanding of how the r process proceeds and have identified pieces of nuclear data of interest for further experimental or theoretical study. A key result of these studies has been to point out the importance of individual neutron capture rates in setting the final r-process abundance pattern for a 'main' (A similar to 130 peak and above) r process. Here we examine neutron capture in the context of a 'weak' r process that forms primarily the A similar to 80 r-process abundance peak. We identify the astrophysical conditions required to produce this peak region through weak r-processing and point out the neutron capture rates that most strongly influence the final abundance pattern. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Surman, R.] Union Coll, Dept Phys & Astron, Schenectady, NY 12308 USA. [Mumpower, M.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Sinclair, R.; Jones, K. L.; Hix, W. R.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Hix, W. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [McLaughlin, G. C.] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. RP Surman, R (reprint author), Union Coll, Dept Phys & Astron, Schenectady, NY 12308 USA. EM surmanr@union.edu RI Jones, Katherine/B-8487-2011; Hix, William/E-7896-2011 OI Jones, Katherine/0000-0001-7335-1379; Hix, William/0000-0002-9481-9126 FU Department of Energy [DE-FG02-05ER41398, DE-FG02-02ER41216, DE-SC0001174]; National Science Foundation ADVANCE Grant [0820032]; U.S. Department of Energy [DE-AC05-000R22725] FX This work was partially supported by the Department of Energy under contracts DE-FG02-05ER41398 (RAS), DE-FG02-02ER41216 (GCM), and DE-SC0001174 (KLJ), and the National Science Foundation ADVANCE Grant 0820032 (RAS). Oak Ridge National Laboratory (WRH) is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-000R22725. NR 41 TC 12 Z9 12 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD APR PY 2014 VL 4 IS 4 AR 041008 DI 10.1063/1.4867191 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AH4FG UT WOS:000336082000009 ER PT J AU Shiga, T Murakami, T Hori, T Delaire, O Shiomi, J AF Shiga, Takuma Murakami, Takuru Hori, Takuma Delaire, Olivier Shiomi, Junichiro TI Origin of anomalous anharmonic lattice dynamics of lead telluride SO APPLIED PHYSICS EXPRESS LA English DT Article ID PBTE; CHALCOGENIDES; PBS AB The origin of the anomalous anharmonic lattice dynamics of lead telluride is investigated by molecular dynamics simulations with interatomic force constants (IFCs) obtained up to quartic terms from first principles. The calculations reproduce the asymmetry of the radial distribution function and the double peaks of transverse optical phonon previously observed with neutron diffraction and scattering experiments. They are identified to be due to the extremely large nearest-neighbor cubic IFCs in the [100] direction. The outstanding strength of the nearest-neighbor cubic IFCs, compared with the longer-range interactions, explains why the distortion in the radial distribution function is local. (C) 2014 The Japan Society of Applied Physics C1 [Shiga, Takuma; Murakami, Takuru; Hori, Takuma; Shiomi, Junichiro] Univ Tokyo, Dept Engn Mech, Bunkyo Ku, Tokyo 1138656, Japan. [Delaire, Olivier] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Shiomi, Junichiro] Japan Sci & Technol Agcy, PRESTO, Saitama 3320012, Japan. RP Shiomi, J (reprint author), Univ Tokyo, Dept Engn Mech, Bunkyo Ku, Tokyo 1138656, Japan. RI Shiga, Takuma/C-5112-2012 FU Japan Society for the Promotion of Science; Japan Science and Technology Agency PRESTO; Initiative on Promotion of Supercomputing for Young or Women Researchers; Supercomputing Division, Information Technology Center, The University of Tokyo; KAKENHI [23760178] FX The authors are grateful to Dr. Gang Chen and Dr. Keivan Esfarjani for fruitful discussions. This work was partially supported by Research Fellowships of the Japan Society for the Promotion of Science for Young Scientists, Japan Science and Technology Agency PRESTO, Initiative on Promotion of Supercomputing for Young or Women Researchers, Supercomputing Division, Information Technology Center, The University of Tokyo, and KAKENHI 23760178. NR 24 TC 9 Z9 9 U1 1 U2 21 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1882-0778 EI 1882-0786 J9 APPL PHYS EXPRESS JI Appl. Phys. Express PD APR PY 2014 VL 7 IS 4 AR 041801 DI 10.7567/APEX.7.041801 PG 4 WC Physics, Applied SC Physics GA AH4SK UT WOS:000336118100007 ER PT J AU Wang, WK Chen, YY Wang, H Zhang, DW Liu, Y Li, ZT AF Wang, Wei-Kun Chen, Yuan-Yuan Wang, Hui Zhang, Dan-Wei Liu, Yi Li, Zhan-Ting TI Tetrathiafulvalene-Based Macrocycles Formed by Radical Cation Dimerization: The Role of Intramolecular Hydrogen Bonding and Solvent SO CHEMISTRY-AN ASIAN JOURNAL LA English DT Article DE foldamers; hydrogen bonds; macrocyclization; radical cation dimerization; solvent effects ID AROMATIC OLIGOAMIDE FOLDAMERS; MIXED-VALENCE; ELECTRON-TRANSFER; CHARGE-TRANSFER; ROOM-TEMPERATURE; DONOR-ACCEPTOR; SUPRAMOLECULAR POLYMER; SHAPE-PERSISTENT; DIMER STATES; PI-DIMERS AB Compounds 1a and 1b were prepared by appending two tetrathiafulvalene (TTF) units to an aromatic amide segment that is driven by six or two intramolecular NHO hydrogen bonds to adopt a folded conformation. UV/Vis absorption experiments revealed that if the TTF units were oxidized to TTF.+ radical cations, the two compounds could form a stable single molecular noncovalent macrocycle in less polar dichloromethane or dichloroethane or a bimolecular noncovalent macrocycle in a binary mixture of dichloromethane with a more polar solvent owing to remarkably enhanced dimerization of the TTF.+ units. The stability of the (TTF.+)(2) dimer was evaluated through UV/Vis absorption, electron paramagnetic resonance, and cyclic voltammetry experiments and also by comparing the results with those of control compound 2. The results showed that introduction of the intramolecular hydrogen bonds played a crucial role in promoting the stability of the (TTF.+)(2) dimer and thus the noncovalent macrocyclization of the two backbones in both uni- and bimolecular manners. C1 [Wang, Wei-Kun; Chen, Yuan-Yuan; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting] Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China. [Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Wang, H (reprint author), Fudan Univ, Dept Chem, 220 Handan Rd, Shanghai 200433, Peoples R China. EM wanghui@fudan.edu.cn; yliu@lbl.gov; ztli@fudan.edu.cn RI Liu, yi/A-3384-2008; Foundry, Molecular/G-9968-2014 OI Liu, yi/0000-0002-3954-6102; FU Ministry of Science and Technology [2013CB834501]; Ministry of Education [IRT1117]; Science and Technology Commission of Shanghai Municipality [13M1400200]; Postdoctoral Science Foundation; National Natural Science Foundation of China [91227108, 21228203, J1103304]; Molecular Foundry, Lawrence Berkeley National Laboratory; Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division; U.S. Department of Energy [DE-AC02-05CH11231] FX We are grateful to the Ministry of Science and Technology (2013CB834501), the Ministry of Education (IRT1117), the Science and Technology Commission of Shanghai Municipality (13M1400200), and the Postdoctoral Science Foundation and National Natural Science Foundation (91227108, 21228203, and J1103304) of China for financial support. Y.L. thanks the support of the Molecular Foundry, Lawrence Berkeley National Laboratory, supported by the Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 76 TC 9 Z9 9 U1 2 U2 43 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1861-4728 EI 1861-471X J9 CHEM-ASIAN J JI Chem.-Asian J. PD APR PY 2014 VL 9 IS 4 BP 1039 EP 1044 DI 10.1002/asia.201301729 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AD3NO UT WOS:000333153000013 PM 24554644 ER PT J AU Lewis, SM Fitts, G Kelly, M Dale, L AF Lewis, Sarah M. Fitts, Gary Kelly, Maggi Dale, Larry TI A fuzzy logic-based spatial suitability model for drought-tolerant switchgrass in the United States SO COMPUTERS AND ELECTRONICS IN AGRICULTURE LA English DT Article DE Switchgrass; GIS; Fuzzy modeling; Bioenergy; Drought ID MULTICRITERIA EVALUATION; BIOENERGY PRODUCTION; DECISION-SUPPORT; SEVERITY INDEX; CLIMATE-CHANGE; MARGINAL LAND; ENERGY; GIS; BIOMASS; SURFACE AB Switchgrass (Panicum virgatum) has been targeted by the U.S. Department of Agriculture as an exemplary bioenergy crop, however it requires a significant amount of water and experiences reduced yields in water-stressed conditions. To avoid competition for prime agricultural areas, lands that receive adequate rainfall but are marginal due to highly variable timing of rain are potentially ideal locations to grow drought-tolerant biofuels. As scientists develop a modified variety of switchgrass that can withstand periods of drought while not substantially affecting overall yield, it is important to identify the potential geographical niche for this xerophytic crop to maximize its environmental and economic sustainability. This project uses a spatial suitability modeling approach that incorporates fuzzy logic and utilizes both physical and economic variables. We assess several fuzzy overlay techniques to identify and synthesize trade-offs between suitability criteria. Our results highlight the Great Plains region of the United States as a suitable region, and within this area we focus on Kansas for a more detailed analysis to calculate land areas within varying dryness index thresholds. For this we develop a specialized dryness index using high resolution (spatial 82 temporal) weather and soil data to provide a spatially explicit measure of dry spell severity for switchgrass across a landscape. We estimate that 80% of the suitable land area in Kansas falls within a dryness index equivalent to about four 22-day long dry stretches, or one 45-day long dry stretch. By identifying the dryness threshold where land area is maximized, the results of this analysis inform the development of drought-tolerant varieties of switchgrass and identify marginal areas where efforts to plant such a species may prosper. (C) 2014 Elsevier B.V. All rights reserved. C1 [Lewis, Sarah M.; Kelly, Maggi] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Fitts, Gary; Dale, Larry] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Kelly, M (reprint author), Univ Calif Berkeley, 130 Mulford Hall 3114, Berkeley, CA 94720 USA. EM maggi@berkeley.edu; LLDale@lbl.gov OI Kelly, Nina Maggi/0000-0002-0198-2822 FU FY12 EETD LDRD project FX This paper is the result of collaboration between University of California at Berkeley and Lawrence Berkeley National Labs. The yield map is thanks to Stan Wullschleger. The authors greatly appreciate discussions and feedback with Daniel Putnam, University of California Davis. The work here was supported by the FY12 EETD LDRD project. NR 55 TC 6 Z9 6 U1 4 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0168-1699 EI 1872-7107 J9 COMPUT ELECTRON AGR JI Comput. Electron. Agric. PD APR PY 2014 VL 103 BP 39 EP 47 DI 10.1016/j.compag.2014.02.006 PG 9 WC Agriculture, Multidisciplinary; Computer Science, Interdisciplinary Applications SC Agriculture; Computer Science GA AH4PP UT WOS:000336110800006 ER PT J AU Simoes, MG Muljadi, E Singh, M Gevorgian, V AF Simoes, Marcelo G. Muljadi, Eduard Singh, Mohit Gevorgian, Vahan TI Measurement-Based Performance Analysis of Wind Energy Systems SO IEEE INSTRUMENTATION & MEASUREMENT MAGAZINE LA English DT Article DE Wind turbines; Wind speed; Wind power generation; Generators; Blades; Instruments ID GENERATION SYSTEM; DESIGN C1 [Simoes, Marcelo G.] Colorado Sch Mines, Dept Elect Engn & Comp Sci, Golden, CO 80401 USA. [Simoes, Marcelo G.] CSM, ACEPS Ctr Adv Control Energy & Power Syst, Wolfville, NS, Canada. [Muljadi, Eduard; Singh, Mohit; Gevorgian, Vahan] Natl Renewable Energy Lab, Golden, CO USA. RP Simoes, MG (reprint author), Colorado Sch Mines, Dept Elect Engn & Comp Sci, Golden, CO 80401 USA. RI Simoes, Marcelo/J-9600-2012 OI Simoes, Marcelo/0000-0003-4124-061X NR 16 TC 0 Z9 0 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1094-6969 EI 1941-0123 J9 IEEE INSTRU MEAS MAG JI IEEE Instrum. Meas. Mag. PD APR PY 2014 VL 17 IS 2 BP 15 EP 20 PG 6 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA AH7MM UT WOS:000336317500006 ER PT J AU Soufli, R AF Soufli, Regina TI Breakthroughs in Photonics 2013: X-Ray Optics SO IEEE PHOTONICS JOURNAL LA English DT Article DE X-ray optics; multilayer interference coatings; metrology; EUV; X-ray applications ID PHASE CHARACTERIZATION; MULTILAYER MIRRORS; NM WAVELENGTH; RESOLUTION; DESIGN; SYSTEM AB This review discusses the latest advances in extreme ultraviolet/X-ray optics development, which are motivated by the availability and demands of new X-ray sources and scientific and industrial applications. Among the breakthroughs highlighted are the following: i) fabrication, metrology, and mounting technologies for large-area optical substrates with improved figure, roughness, and focusing properties; ii) multilayer coatings with especially optimized layer properties, achieving improved reflectance, stability, and out-of-band suppression; and iii) nanodiffractive optics with improved efficiency and resolution. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Soufli, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM regina.soufli@llnl.gov FU U.S. Department of Energy through the Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was supported by the U.S. Department of Energy through the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Corresponding author: R. Soufli (e-mail: regina.soufli@llnl.gov). NR 39 TC 1 Z9 1 U1 1 U2 19 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1943-0655 EI 1943-0647 J9 IEEE PHOTONICS J JI IEEE Photonics J. PD APR PY 2014 VL 6 IS 2 AR 0700606 DI 10.1109/JPHOT.2014.2309640 PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA AH5YC UT WOS:000336206100007 ER PT J AU Mernild, SH Hanna, E Yde, JC Cappelen, J Malmros, JK AF Mernild, Sebastian H. Hanna, Edward Yde, Jacob C. Cappelen, John Malmros, Jeppe K. TI Coastal Greenland air temperature extremes and trends 1890-2010: annual and monthly analysis SO INTERNATIONAL JOURNAL OF CLIMATOLOGY LA English DT Article DE annual and monthly values; extreme temperature observations; Greenland; mean; maximum; and minimum temperature observations ID NORTH-ATLANTIC OSCILLATION; CLIMATE-CHANGE; MASS-BALANCE; ICE-SHEET; PRECIPITATION; EVENTS AB We use observed air temperature data series from 14 meteorological stations in coastal Greenland (located all around the Greenland Ice Sheet) for 1960-2010, where long-term records for five of the stations extend back to 1890, to illustrate the annual and monthly temporal and spatial distribution of temperature extremes, with the main focus on the latest decade 2001-2010 (2000s). We find that the 2000s had the highest number of mean annual air temperature (MAAT) warm extremes, and the 1890s the highest number of cold extremes, and that a high (low) positive North Atlantic Oscillation (NAO) Index equals a high number of cold (warm) extreme events. For the 2000s the number of warm extremes was significantly higher by around 50% than the number in the 1940s (the early twentieth century warm period): the latter being the decade with the second highest occurrence of MAAT warm extremes. Since 1960, based on MAAT the number of cold extremes has overall decreased on the decadal timescale, besides a peak in 1980s, while warm extremes have increased, leading to a higher occurrence of extremes (cold plus warm extremes): an almost similar pattern occurred for monthly mean temperatures and monthly mean daily maximum and minimum temperature datasets. Furthermore, a division of Greenland into east and west sectors shows that the occurrence of cold (warm) extremes was more pronounced in the East than in the West in the 1960s and 1970s (mid-1980s to the 2000s). C1 [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM USA. [Mernild, Sebastian H.; Malmros, Jeppe K.] Ctr Estudios Cient, Ctr Sci Studies, Glaciol & Climate Change Lab, Valdivia 5110466, Chile. [Hanna, Edward] Univ Sheffield, Dept Geog, Sheffield S10 2TN, S Yorkshire, England. [Yde, Jacob C.] Sogn Og Fjordane Univ Coll, Fac Sci & Engn, Sogndal, Norway. [Cappelen, John] Danish Meteorol Inst, Copenhagen, Denmark. RP Mernild, SH (reprint author), Ctr Estudios Cient, Ctr Sci Studies, Glaciol & Climate Change Lab, Valdivia 5110466, Chile. EM mernild@cecs.cl RI Hanna, Edward/H-2219-2016; OI Hanna, Edward/0000-0002-8683-182X; Yde, Jacob Clement/0000-0002-6211-2601 FU Earth System Modeling Program; Scientific Discovery for Advanced Computing (SciDAC) Program within the U.S. Department of Energy's Office of Science; Los Alamos National Laboratory (LANL) Director's Fellowship; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; European Community [262693] FX This work was supported by the Earth System Modeling Program and by the Scientific Discovery for Advanced Computing (SciDAC) Program within the U.S. Department of Energy's Office of Science and by a Los Alamos National Laboratory (LANL) Director's Fellowship. LANL is operated under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396), and partly from the European Community's Seventh Framework Programme under grant agreement No. 262693. Special thanks are given to the Danish Meteorological Institute (DMI) for providing observed meteorological station data. GBI data were derived from the 20CR Reanalysis dataset provided by the NOAA-ESRL Physical Sciences Division, Boulder Colorado on their Web site at http://www.esrl.noaa.gov/psd/. NR 38 TC 12 Z9 13 U1 2 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0899-8418 EI 1097-0088 J9 INT J CLIMATOL JI Int. J. Climatol. PD APR PY 2014 VL 34 IS 5 BP 1472 EP 1487 DI 10.1002/joc.3777 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AE1VN UT WOS:000333759100012 ER PT J AU Evans, AM Rice, GE Teuschler, LK Wright, JM AF Evans, Amanda M. Rice, Glenn E. Teuschler, Linda K. Wright, J. Michael TI Joint Exposure to Chemical and Nonchemical Neurodevelopmental Stressors in U. S. Women of Reproductive Age in NHANES SO INTERNATIONAL JOURNAL OF ENVIRONMENTAL RESEARCH AND PUBLIC HEALTH LA English DT Article DE allostatic load (AL); chronic stress; cumulative exposure assessment; cumulative risk assessment (CRA); hazard index (HI); nonchemical stressors; neurodevelopment; physiological dysregulation; susceptibility; vulnerability ID NUTRITION EXAMINATION SURVEY; ALLOSTATIC LOAD; LEAD-EXPOSURE; BLOOD LEAD; PRENATAL EXPOSURE; AIR-POLLUTION; PHYSIOLOGICAL DYSREGULATION; ENVIRONMENTAL LEAD; NATIONAL-HEALTH; RISK-ASSESSMENT AB Lead (Pb) and methyl mercury (MeHg) are well established neurodevelopmental toxicants (NDTs), but joint exposure to chemical and nonchemical (e.g., maternal stress) stressors has rarely been considered. We characterized exposure to Pb, MeHg and a measure of physiological dysregulation associated with chronic stress and examined race/ethnicity as a predictor of joint NDT exposure. Using data from the 2003-2004 NHANES, potential chronic stress exposure was estimated using allostatic load (AL), a quantitative measure of physiological dysregulation. A Hazard Index was calculated for joint exposure to Pb and MeHg (HINDT). Logistic regression was used to assess the relationship between an indicator of elevated joint NDT exposures (HINDT > 1) and race/ethnicity. The multivariate model was stratified by AL groups to examine effect measure modification. African American (adjusted odds ratio [OR] [95% confidence interval] = 2.2 [1.4, 3.3]) and Mexican American (1.4 [0.7, 2.6]) women were more likely to have an HINDT > 1 compared to Caucasian women. Chronic stress was identified as an effect measure modifier with the largest ORs among women with high AL scores (African Americans = 4.3 [2.0, 9.5]; Mexican Americans = 4.2 [1.3, 14.1]). Chronic stress was found to modify the association between elevated joint NDT exposure and race/ethnicity, highlighting the importance of evaluating chemical and nonchemical stressor exposures leading to a common endpoint. C1 [Evans, Amanda M.] US EPA, ORISE, Off Res & Dev, Natl Ctr Environm Assessment, Cincinnati, OH 45268 USA. [Rice, Glenn E.; Wright, J. Michael] US EPA, Off Res & Dev, Natl Ctr Environm Assessment, Cincinnati, OH 45268 USA. [Teuschler, Linda K.] Linda Teuschler & Associates, St Petersburg, FL 33707 USA. RP Evans, AM (reprint author), US EPA, ORISE, Off Res & Dev, Natl Ctr Environm Assessment, Cincinnati, OH 45268 USA. EM Evans.AmandaM@epa.gov; Rice.Glenn@epa.gov; lindateuschler@gmail.com; Wright.Michael@epa.gov FU National Center for Environmental Assessment, Office of Research and Development, U.S. EPA FX We would like to thank Rita Schoeny and Deborah Cory-Slechta for their helpful comments on earlier versions of this manuscript. This project was supported in part by an appointment to the Research Participation Program at the National Center for Environmental Assessment, Office of Research and Development, U.S. EPA, administered by ORISE through an interagency agreement between the U.S. Department of Energy and U.S. EPA. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the EPA. NR 45 TC 4 Z9 4 U1 1 U2 7 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1660-4601 J9 INT J ENV RES PUB HE JI Int. J. Environ. Res. Public Health PD APR PY 2014 VL 11 IS 4 BP 4384 EP 4401 DI 10.3390/ijerph110404384 PG 18 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA AG9TM UT WOS:000335762700046 PM 24758893 ER PT J AU Wing, S Ohtani, S Johnson, J Wilson, GR Higuchi, T AF Wing, Simon Ohtani, Shinichi Johnson, Jay Wilson, Gordon R. Higuchi, Tomoyuki TI Field-aligned currents during the extreme solar minimum between the solar cycles 23 and 24 SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE field-aligned current; particle precipitation; solar cycle; magnetosphere-ionosphere coupling; current width; solar wind-magnetosphere coupling ID INTERPLANETARY MAGNETIC-FIELD; LATITUDE BOUNDARY-LAYER; PLASMA SHEET; BIRKELAND CURRENTS; ELECTRIC-FIELD; PRESSURE; PRECIPITATION; CONFIGURATION; REGIONS; MODEL AB The solar minimum between solar cycles 23 and 24 was unusually long and deep. The upward region-1 (R1) field-aligned current (FAC) response to this extreme solar minimum was investigated using Defense Meteorological Satellite Program observations. The solar cycle responses on the dayside are different than those on the nightside. The field-aligned current density (J(//)) on the dayside, at 12-17 magnetic local time (MLT), peaks in the declining phase of the solar cycle, in 2003, when the solar wind speed also peaks, whereas J(//) on the nightside, at 18-23 MLT, appears insensitive to the solar cycle. In 1995-2010, J(//) at 15-17 MLT reaches the lowest value during the extreme solar minimum in 2009, when the solar wind speed also reaches the lowest value. At 12-17 MLT, R1 is located mostly on open field lines or at the boundary layer, where the current is driven mostly by the velocity shear at the magnetopause boundary. However, on the nightside, R1 is located mostly on the closed field lines where J(//) is not driven directly and immediately by the solar wind. The nightside current width () exhibits a solar cycle effect such that is smaller at the solar minimum and smallest in 2009. However, the dayside exhibits little solar cycle effect. As a result, the FAC intensity (latitudinally integrated J(//)) exhibits a solar cycle variation at all local times and the FAC intensity is lower during the extreme solar minimum than that of the previous solar minimum. C1 [Wing, Simon; Ohtani, Shinichi] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 21218 USA. [Johnson, Jay] Princeton Plasma Phys Lab, Princeton, NJ USA. [Wilson, Gordon R.] Air Force Res Lab, Albuquerque, NM USA. [Higuchi, Tomoyuki] Inst Stat Math, Dept Stat Modeling, Tokyo, Japan. RP Wing, S (reprint author), Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 21218 USA. EM simon.wing@jhuapl.edu RI Ohtani, Shinichi/E-3914-2016 OI Ohtani, Shinichi/0000-0002-9565-6840 FU NSF [ATM-0802715, AGS-1058456, ATM0902730]; NASA [NNX10AE63G, NNX13AE12G, NNH09AM53I, NNH09AK63I, NNH11AR07I]; DOE [DE-AC02-09CH11466] FX AFRL has been helpful in acquisition of DMSP SSJ4/SSJ5 and magnetometer data, as has the World Data Center in Boulder, Colorado. Simon Wing gratefully acknowledges support from NSF grants ATM-0802715 and AGS-1058456 and NASA grants NNX10AE63G and NNX13AE12G. Jay Johnson was funded by NASA grants (NNH09AM53I, NNH09AK63I, and NNH11AR07I), NSF grant ATM0902730, and DOE contract DE-AC02-09CH11466. NR 44 TC 2 Z9 2 U1 0 U2 9 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 APR PY 2014 VL 119 IS 4 BP 2466 EP 2475 DI 10.1002/2013JA019452 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6CP UT WOS:000336218600008 ER PT J AU Chen, LJ Jordanova, VK Spasojevic, M Thorne, RM Horne, RB AF Chen, Lunjin Jordanova, Vania K. Spasojevic, Maria Thorne, Richard M. Horne, Richard B. TI Electromagnetic ion cyclotron wave modeling during the geospace environment modeling challenge event SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE EMIC waves; Ring current; plasmaspheric plume; ray tracing; instability ID PARTICLE INTERACTIONS; PROTON PRECIPITATION; INNER MAGNETOSPHERE; GEOMAGNETIC STORMS; EMIC WAVES; PLASMAPAUSE; GENERATION; PLASMASPHERE; PROPAGATION; MECHANISM AB We investigate the temporal evolution and the spatial distribution of electromagnetic ion cyclotron (EMIC) waves during the 8-11 June 2001 geomagnetic storm, one of the storms selected for study by the Geospace Environment Modeling program. Generations of EMIC waves in the H+, He+, and O+ bands are simulated using the kinetic ring current-atmosphere interactions model with a self-consistent magnetic field and a ray tracing code. Simulations show that strong wave gain occurs in the afternoon sector at L > 5 and overlaps with a high-density plasmaspheric drainage plume. EMIC wave gain maximizes during the main phase and decreases in the recovery phase. We find that EMIC wave gain is stronger in the He+ band than in the other two bands in the inner magnetosphere, except the region of low L (< 3) where the H+ band is dominant due to an enhancement in the ring current anisotropy. Little wave gain is obtained for the O+ band. Comparison with in situ EMIC events and EMIC event proxies at five geosynchronous satellites shows consistence in the temporal and local time evolution of the wave distribution. Our simulations of the EMIC wave distribution also agree with proton aurora at subauroral latitudes observed from the Imager for Magnetopause-to-Aurora Global Exploration satellite. C1 [Chen, Lunjin] Univ Texas Dallas, Dept Phys, Richardson, TX 75083 USA. [Jordanova, Vania K.] Los Alamos Natl Lab, Los Alamos, NM USA. [Spasojevic, Maria] Stanford Univ, Space Telecommun & Radiosci Lab, Stanford, CA 94305 USA. [Thorne, Richard M.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA. [Horne, Richard B.] British Antarctic Survey, NERC, Cambridge CB3 0ET, England. RP Chen, LJ (reprint author), Univ Texas Dallas, Dept Phys, Richardson, TX 75083 USA. EM lunjin.chen@gmail.com OI Horne, Richard/0000-0002-0412-6407; Jordanova, Vania/0000-0003-0475-8743 FU NASA [NNX13AI61G, NNX11AR64G]; United States Department of Energy; NASA/LWS; NSF/GEM program; NSF [0902846] FX The authors would like to acknowledge NASA grants NNX13AI61G and NNX11AR64G. Work at Los Alamos was conducted under the auspices of the United States Department of Energy with partial support from NASA/LWS and NSF/GEM program. Work at Stanford was supported by NSF award 0902846. Interplanetary data were provided by the CDAWeb at NASA, and the Dst indices were provided by the World Data Center in Kyoto, Japan. NR 65 TC 6 Z9 6 U1 0 U2 6 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 APR PY 2014 VL 119 IS 4 BP 2963 EP 2977 DI 10.1002/2013JA019595 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6CP UT WOS:000336218600038 ER PT J AU Alvarez, V Borges, FIGM Carcel, S Castel, J Cebrian, S Cervera, A Conde, CAN Dafni, T Dias, THVT Diaz, J Egorov, M Esteve, R Evtoukhovitch, P Fernandes, LMP Ferrario, P Ferreira, AL Freitas, EDC Gehman, VM Gil, A Goldschmidt, A Gomez, H Gomez-Cadenas, JJ Gonzalez-Diaz, D Gutieerrez, RM Hauptman, J Morata, JAH Herrera, DC Iguaz, FJ Irastorza, IG Jinete, MA Labarga, L Laing, A Liubarsky, I Lopes, JAM Lorca, D Losada, M Luzoon, G Marii, A Martin-Albo, J Martinez, A Martinez-Lema, G Miller, T Moiseenko, A Monrabal, F Monteiro, CMB Mora, FJ Moutinho, LM Vidal, JM da Luz, HN Navarro, G Nebot-Guinot, M Nygren, D Oliveira, CAB Palma, R Perez, J Aparicio, JLP Renner, J Ripoll, L Rodriguez, A Rodriguez, J Santos, FP dos Santos, JMF Segui, L Serra, L Shuman, D Simon, A Sofka, C Sorel, M Toledo, JF Tomas, A Torrent, J Tsamalaidze, Z Vazquez, D Veloso, JFCA Villar, JA Webb, RC White, JT Yahlali, N Aznar, F Calvet, D Druillole, F Ferrer-Ribas, E Garcia, JA Giomataris, I Gracia, J Le Coguie, A Mols, JP Pons, P Ruiz, E AF Alvarez, V. Borges, F. I. G. M. Carcel, S. Castel, J. Cebrian, S. Cervera, A. Conde, C. A. N. Dafni, T. Dias, T. H. V. T. Diaz, J. Egorov, M. Esteve, R. Evtoukhovitch, P. Fernandes, L. M. P. Ferrario, P. Ferreira, A. L. Freitas, E. D. C. Gehman, V. M. Gil, A. Goldschmidt, A. Gomez, H. Gomez-Cadenas, J. J. Gonzalez-Diaz, D. Gutierrez, R. M. Hauptman, J. Hernando Morata, J. A. Herrera, D. C. Iguaz, F. J. Irastorza, I. G. Jinete, M. A. Labarga, L. Laing, A. Liubarsky, I. Lopes, J. A. M. Lorca, D. Losada, M. Luzon, G. Mari, A. Martin-Albo, J. Martinez, A. Martinez-Lema, G. Miller, T. Moiseenko, A. Monrabal, F. Monteiro, C. M. B. Mora, F. J. Moutinho, L. M. Munoz Vidal, J. da Luz, H. Natal Navarro, G. Nebot-Guinot, M. Nygren, D. Oliveira, C. A. B. Palma, R. Perez, J. Perez Aparicio, J. L. Renner, J. Ripoll, L. Rodriguez, A. Rodriguez, J. Santos, F. P. dos Santos, J. M. F. Segui, L. Serra, L. Shuman, D. Simon, A. Sofka, C. Sorel, M. Toledo, J. F. Tomas, A. Torrent, J. Tsamalaidze, Z. Vazquez, D. Veloso, J. F. C. A. Villar, J. A. Webb, R. C. White, J. T. Yahlali, N. Aznar, F. Calvet, D. Druillole, F. Ferrer-Ribas, E. Garcia, J. A. Giomataris, I. Gracia, J. Le Coguie, A. Mols, J. P. Pons, P. Ruiz, E. CA NEXT Collaboration TI Characterization of a medium size Xe/TMA TPC instrumented with microbulk Micromegas, using low-energy gamma-rays SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT 3rd International Conference on Micro Pattern Gaseous Detectors CY JUL 01-06, 2013 CL Zaragoza, SPAIN DE Time projection Chambers (TPC); Micropattern gaseous detectors (MSGC, GEM, THGEM, RETHGEM, MHSP, MICROPIC, MICROMEGAS, InGrid, etc); Double-beta decay detectors; Charge transport and multiplication in gas ID HIGH-PRESSURE XENON; PROPORTIONAL-COUNTERS; ELECTRON-ATTACHMENT; SCATTERING; MIXTURES; KRYPTON; DRIFT AB NEXT-MM is a general-purpose high pressure (10 bar, similar to 251 active volume) Xenon-based TPC, read out in charge mode with an 0.8 cm x 0.8 cm-segmented 700 cm(2) plane (1152 ch) of the latest microbulk-Micromegas technology. It has been recently commissioned at University of Zaragoza as part of the R&D of the NEXT 0v beta beta experiment, although the experiment's first stage is currently being built based on a SiPM/PMT-readout concept relying on electroluminescence. Around 2 million events were collected during the last months, stemming from the low energy gamma-rays emitted by a Am-241 source when interacting with the Xenon gas (E-gamma = 26, 30, 59.5 keV). The localized nature of such events around atmospheric pressure, the long drift times, as well as the possibility to determine their production time from the associated alpha particle in coincidence, allow the extraction of primordial properties of the TPC filling gas, namely the drift velocity, diffusion and attachment coefficients. In this work we focus on the little explored combination of Xe and trimethylamine (TMA) for which, in particular, such properties are largely unknown. This gas mixture offers potential advantages over pure Xenon when aimed at Rare Event Searches, mainly due to its Penning characteristics, wave-length shifting properties and reduced diffusion, and it is being actively investigated by our collaboration. The chamber is currently operated at 2.7 bar, as an intermediate step towards the envisaged 10 bar. We report here its performance as well as a first implementation of the calibration procedures that have allowed the extension of the previously reported energy resolution to the whole readout plane (10.6% FWHM@30keV). C1 [Alvarez, V.; Carcel, S.; Cervera, A.; Diaz, J.; Ferrario, P.; Gil, A.; Gomez-Cadenas, J. J.; Laing, A.; Liubarsky, I.; Lorca, D.; Martin-Albo, J.; Martinez, A.; Monrabal, F.; Munoz Vidal, J.; Nebot-Guinot, M.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] CSIC, IFIC, Valencia 46980, Spain. [Alvarez, V.; Carcel, S.; Cervera, A.; Diaz, J.; Ferrario, P.; Gil, A.; Gomez-Cadenas, J. J.; Laing, A.; Liubarsky, I.; Lorca, D.; Martin-Albo, J.; Martinez, A.; Monrabal, F.; Munoz Vidal, J.; Nebot-Guinot, M.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] Univ Valencia, Valencia 46980, Spain. [Castel, J.; Cebrian, S.; Dafni, T.; Gomez, H.; Gonzalez-Diaz, D.; Herrera, D. C.; Iguaz, F. J.; Irastorza, I. G.; Luzon, G.; Rodriguez, A.; Segui, L.; Tomas, A.; Villar, J. A.; Aznar, F.; Garcia, J. A.; Gracia, J.; Pons, P.; Ruiz, E.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, E-50009 Zaragoza, Spain. [Castel, J.; Cebrian, S.; Dafni, T.; Gomez, H.; Gonzalez-Diaz, D.; Herrera, D. C.; Iguaz, F. J.; Irastorza, I. G.; Luzon, G.; Rodriguez, A.; Segui, L.; Tomas, A.; Villar, J. A.; Aznar, F.; Garcia, J. A.; Gracia, J.] Lab Subterraneo Canfranc, Huesca 22880, Spain. [Borges, F. I. G. M.; Conde, C. A. N.; Dias, T. H. V. T.; Fernandes, L. M. P.; Freitas, E. D. C.; Lopes, J. A. M.; Monteiro, C. M. B.; da Luz, H. Natal; Santos, F. P.; dos Santos, J. M. F.] Univ Coimbra, Dept Fis, P-3004516 Coimbra, Portugal. [Calvet, D.; Druillole, F.; Ferrer-Ribas, E.; Giomataris, I.; Le Coguie, A.; Mols, J. P.] CEA Saclay, Ctr Etudes Nucl Saclay, IRFU, F-91191 Gif Sur Yvette, France. [Egorov, M.; Gehman, V. M.; Goldschmidt, A.; Miller, T.; Nygren, D.; Oliveira, C. A. B.; Renner, J.; Shuman, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Esteve, R.; Mari, A.; Mora, F. J.; Toledo, J. F.] Univ Politecn Valencia, Inst Instrumentac Imagen Mol I3M, Valencia 46022, Spain. [Evtoukhovitch, P.; Moiseenko, A.; Tsamalaidze, Z.] JINR, Dubna 141980, Russia. [Ferreira, A. L.; Moutinho, L. M.; Veloso, J. F. C. A.] Univ Aveiro, Inst Nanostruct Nanomodelling & Nanofabricat, P-3810193 Aveiro, Portugal. [Gutierrez, R. M.; Jinete, M. A.; Losada, M.; Navarro, G.] Univ Antonio Narino, Ctr Invest Ciencias Basicas & Aplicadas, Bogota, Colombia. [Hauptman, J.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Hernando Morata, J. A.; Martinez-Lema, G.; Vazquez, D.] Univ Santiago Compostela, IGFAE, Santiago De Compostela 15782, Spain. [Labarga, L.] Univ Autonoma Madrid, Dept Fis Teor, Madrid 28049, Spain. [Palma, R.; Perez Aparicio, J. L.] Univ Politecn Valencia, Dept Mecan Medios Continuos & Teoria Estruct, E-46071 Valencia, Spain. [Perez, J.] UAM, CSIC, IFT, Madrid 28049, Spain. [Ripoll, L.; Torrent, J.] Univ Girona, Escola Politecn Super, Girona 17071, Spain. [Sofka, C.; Webb, R. C.; White, J. T.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. RP Gonzalez-Diaz, D (reprint author), Univ Zaragoza, Lab Fis Nucl & Astroparticulas, Calle Pedro Cerbuna 12, E-50009 Zaragoza, Spain. EM gomez@mail.cern.ch; diegogon@unizar.es RI Dafni, Theopisti/J-9646-2012; AMADE Research Group, AMADE/B-6537-2014; Monrabal, Francesc/A-5880-2015; Ripoll, Lluis/A-8413-2015; dos Santos, Joaquim/B-3058-2015; Perez-Aparicio, Jose/H-7053-2015; Natal da Luz, Hugo/F-6460-2013; Fernandes, Luis/E-2372-2011; Moutinho, Luis/J-6021-2013; Diaz, Jose/B-3454-2012; Villar, Jose Angel/K-6630-2014; matias-lopes, jose/H-6074-2012; Aznar, Francisco/K-7807-2014; veloso, joao/J-4478-2013; Irastorza, Igor/B-2085-2012; Gomez Cadenas, Juan Jose/L-2003-2014; Hernando Morata, Jose Angel/L-7642-2014; Gil Ortiz, Alejandro/M-1671-2014; YAHLALI, NADIA/L-1880-2014; Gonzalez Diaz, Diego/K-7265-2014 OI Martin-Albo, Justo/0000-0002-7318-1469; dos Santos, Joaquim Marques Ferreira/0000-0002-8841-6523; Dafni, Theopisti/0000-0002-8921-910X; Munoz Vidal, Javier/0000-0002-9649-2251; Iguaz Gutierrez, Francisco Jose/0000-0001-6327-9369; AMADE Research Group, AMADE/0000-0002-5778-3291; Monrabal, Francesc/0000-0002-4047-5620; Ripoll, Lluis/0000-0001-8194-5396; Perez-Aparicio, Jose/0000-0003-2884-6991; Natal da Luz, Hugo/0000-0003-1177-870X; Fernandes, Luis/0000-0002-7061-8768; Moutinho, Luis/0000-0001-9074-4449; Monteiro, Cristina Maria Bernardes/0000-0002-1912-2804; Diaz, Jose/0000-0002-7239-223X; Villar, Jose Angel/0000-0003-0228-7589; matias-lopes, jose/0000-0002-6366-2963; Aznar, Francisco/0000-0003-3629-0540; Irastorza, Igor/0000-0003-1163-1687; Gomez Cadenas, Juan Jose/0000-0002-8224-7714; Hernando Morata, Jose Angel/0000-0002-8683-5142; Gil Ortiz, Alejandro/0000-0002-0852-412X; YAHLALI, NADIA/0000-0003-2184-0132; Gonzalez Diaz, Diego/0000-0002-6809-5996 NR 35 TC 9 Z9 9 U1 8 U2 34 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 APR PY 2014 VL 9 AR C04015 DI 10.1088/1748-0221/9/04/C04015 PG 26 WC Instruments & Instrumentation SC Instruments & Instrumentation GA AH4UJ UT WOS:000336123800015 ER PT J AU Garcia-Sciveres, M Wang, X AF Garcia-Sciveres, M. Wang, X. TI Data encoding efficiency in binary strip detector readout SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Data compression; Data Handling; Si microstrip and pad detectors; Electronic detector readout concepts (solid-state) AB A prescription to calculate the minimum number of bits needed for binary strip detector readout is presented. This permits a systematic analysis of the readout efficiency relative to this theoretical minimum number of bits. Different level efficiencies are defined to include context information and engineering properties needed for reliable transmission, such as DC-balance. A commonly used encoding method is analyzed as an example and found to have an efficiency only of order 50%. A new encoding method called Pattern Overlay Compression is introduced to illustrate how the systematic analysis can guide the construction of more efficient readout methods. Pattern Overlay Compression significantly outperforms the above example in the occupancy range of interest. C1 [Wang, X.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Garcia-Sciveres, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Garcia-Sciveres, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mgs@lbl.gov FU Office of High Energy Physics of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the Office of High Energy Physics of the U.S. Department of Energy under contract DE-AC02-05CH11231. We thank A. Grillo and J. Agricola for helpful comments. NR 12 TC 2 Z9 2 U1 1 U2 1 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 APR PY 2014 VL 9 AR P04021 DI 10.1088/1748-0221/9/04/P04021 PG 20 WC Instruments & Instrumentation SC Instruments & Instrumentation GA AH4UJ UT WOS:000336123800061 ER PT J AU Mock, J Barry, N Kazkaz, K Stolp, D Szydagis, M Tripathi, M Uvarov, S Woods, M Walsh, N AF Mock, J. Barry, N. Kazkaz, K. Stolp, D. Szydagis, M. Tripathi, M. Uvarov, S. Woods, M. Walsh, N. TI Modeling pulse characteristics in Xenon with NEST SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Scintillators, scintillation and light emission processes (solid, gas and liquid scintillators); Simulation methods and programs; Noble liquid detectors (scintillation, ionization, double-phase); Dark Matter detectors (WIMPs, axions, etc.) ID LIQUID ARGON; LUMINESCENCE; KRYPTON; SCINTILLATION; TRANSPORT; ELECTRONS; DECAY; GAS AB A comprehensive model for describing the characteristics of pulsed signals, generated by particle interactions in xenon detectors, is presented. An emphasis is laid on two-phase time projection chambers, but the models presented are also applicable to single phase detectors. In order to simulate the pulse shape due to primary scintillation light, the effects of the ratio of singlet and triplet dimer state populations, as well as their corresponding decay times, and the recombination time are incorporated into the model. In a two phase time projection chamber, when simulating the pulse caused by electroluminescence light, the ionization electron mean free path in gas, the drift velocity, singlet and triplet decay times, diffusion constants, and the electron trapping time, have been implemented. This modeling has been incorporated into a complete software package, which realistically simulates the expected pulse shapes for these types of detectors. C1 [Mock, J.; Stolp, D.; Szydagis, M.; Tripathi, M.; Uvarov, S.; Woods, M.; Walsh, N.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Barry, N.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Kazkaz, K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Mock, J (reprint author), Univ Calif Davis, Dept Phys, One Shields Ave, Davis, CA 95616 USA. EM jamock@ucdavis.edu OI Szydagis, Matthew/0000-0002-9334-4659 FU U.S. Department of Energy at the University of California, Davis [DE-FG02-91ER40674]; DOE [DE-NA0000979] FX This work was supported by U.S. Department of Energy grant DE-FG02-91ER40674 at the University of California, Davis, as well as supported by DOE grant DE-NA0000979, which funds the seven universities involved in the Nuclear Science and Security Consortium. NR 39 TC 10 Z9 10 U1 0 U2 1 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 APR PY 2014 VL 9 AR T04002 DI 10.1088/1748-0221/9/04/T04002 PG 13 WC Instruments & Instrumentation SC Instruments & Instrumentation GA AH4UJ UT WOS:000336123800064 ER PT J AU Plazas, AA Bernstein, GM Sheldon, ES AF Plazas, A. A. Bernstein, G. M. Sheldon, E. S. TI Transverse electric fields' effects in the Dark Energy Camera CCDs SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT Conference on Precision Astronomy with Fully Depleted CCDs CY NOV 18-19, 2013 CL Brookhaven Natl Lab, Upton, NY HO Brookhaven Natl Lab DE Image processing; Data Processing; Data analysis AB Spurious electric fields transverse to the surface of thick CCDs displace the photo-generated charges, effectively modifying the pixel area and producing noticeable signals in astrometric and photometric measurements. We use data from the science verification period of the Dark Energy Survey (DES) to characterize these effects in the Dark Energy Camera (DECam) CCDs, where the transverse fields manifest as concentric rings (impurity gradients or "tree rings") and bright stripes near the boundaries of the detectors ("edge distortions") with relative amplitudes of about 1% and 10%, respectively. Using flat-field images, we derive templates in the five DES photometric bands (grizY) for the tree rings and the edge distortions as a function of their position on each DECam detector. Comparison of the astrometric and photometric residuals confirms their nature as pixel-size variations. The templates are directly incorporated into the derivation of photometric and astrometric residuals. The results presented in these proceedings are a partial report of analysis performed before the workshop "Precision Astronomy with Fully depleted CDDs" at Brookhaven National Laboratory. Additional work is underway, and the final results and analysis will be published elsewhere (Plazas, Bernstein & Sheldon 2014, in prep.). C1 [Plazas, A. A.; Sheldon, E. S.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Bernstein, G. M.] Univ Penn, Dept Phys & Astron, Davind Rittenhouse Lab, Philadelphia, PA 19104 USA. RP Plazas, AA (reprint author), Brookhaven Natl Lab, Dept Phys, Bldg 510, Upton, NY 11973 USA. EM aplazas@bnl.gov NR 7 TC 9 Z9 9 U1 0 U2 3 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 APR PY 2014 VL 9 AR C04001 DI 10.1088/1748-0221/9/04/C04001 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA AH4UJ UT WOS:000336123800001 ER PT J AU Siegmund, OHW McPhate, JB Vallerga, JV Tremsin, AS Frisch, HE Elam, JW Mane, AU Wagner, RG AF Siegmund, O. H. W. McPhate, J. B. Vallerga, J. V. Tremsin, A. S. Frisch, H. E. Elam, J. W. Mane, A. U. Wagner, R. G. TI Large area event counting detectors with high spatial and temporal resolution SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT 15th International Workshop on Radiation Imaging Detectors CY JUN 23-27, 2013 CL Paris, FRANCE DE Cherenkov detectors; Photon detectors for UV, visible and IR photons (vacuum); Detectors for UV, visible and IR photons; Space instrumentation ID MICROCHANNEL PLATES AB Novel large area microchannel plates (MCPs) constructed using micro-capillary arrays functionalized by atomic layer deposition (ALD) have been successfully demonstrated in large format detectors (10 cm and 20 cm) with cross delay line and cross strip readouts. Borosilicate micro-capillary substrates allow robust MCPs to be made in sizes to 20 cm, the intrinsic background rates are low (< 0.06 events cm(-2) sec(-1)), the channel open area can be made as high as 85%,and the gain after preconditioning (vacuum bake and burn-in) shows virtually no change over > 7 C cm(-2) extracted charge. We have constructed a number of detectors with these novel MCPs, including a 10 x 10 cm cross strip readout device and 20 x 20 cm delay line readout sensors. The cross strip detector has very high spatial resolution (the 20 mu m MCP pores can be resolved, thus obtaining similar to 5k x 5k resolution elements), good time resolution (< 1 ns), and high event rate (> 5 million counts/s at 20% dead time), while operating at relatively low gain (similar to 10(6)). The 20 x 20 cm delay line detectors have achieved spatial resolutions of similar to 50 mu m m and event rates of several MHz, with good gain and background uniformity and < 200 ps event time tagging. Progress has also been made in construction of a 20 x 20 cm sealed tube optical imager, and we have achieved > 20% quantum efficiency and good uniformity for large area (20 cm) bialkali photocathodes. C1 [Siegmund, O. H. W.; McPhate, J. B.; Vallerga, J. V.; Tremsin, A. S.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Frisch, H. E.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Elam, J. W.; Mane, A. U.; Wagner, R. G.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Siegmund, OHW (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. EM ossy@ssl.berkeley.edu NR 10 TC 1 Z9 1 U1 1 U2 11 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 APR PY 2014 VL 9 AR C04002 DI 10.1088/1748-0221/9/04/C04002 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA AH4UJ UT WOS:000336123800002 ER PT J AU Babai, A Kopiec, G Lackmann, A Mallick, B Pitula, S Tang, SF Mudring, AV AF Babai, Arash Kopiec, Gabriel Lackmann, Anastasia Mallick, Bert Pitula, Slawomir Tang, Sifu Mudring, Anja-Verena TI Eu3+ as a dual probe for the determination of IL anion donor power: A combined luminescence spectroscopic and electrochemical approach SO JOURNAL OF MOLECULAR LIQUIDS LA English DT Article DE Acidity; Electrochemistry; Europium; Ionic liquids; Rare-earth elements ID WEAKLY-COORDINATING ANIONS; IONIC LIQUIDS; SOLVENT POLARITY; OPTICAL-PROPERTIES; BETAINE DYES; EUROPIUM; COMPLEXES; SOLVATOCHROMISM; INDICATORS; CATALYSIS AB This work is aimed at giving proof that Eu(Tf2N)(3) (Tf2N = bis(trifluoromethanesulfonyl)amide) can act as both an optical and electrochemical probe for the determination of the Lewis acidity of an ionic liquid anion. For that reason the luminescence spectra and cyclic voltammograms of dilute solutions of Eu(Tf2N)(3) in various ionic liquids were investigated. The Eu2+/3+ redox potential in the investigated ILs can be related to the Lewis basicity of the IL anion. The IL cation had little influence. The lower the determined halfwave potential, the higher the IL anion basicity. The obtained ranking can be confirmed by luminescence spectroscopy where a bathochromic shift of the D-5(0) -> F-7(4) transition indicates a stronger Lewis basicity of the IL anion. (C) 2014 Published by Elsevier B.V. C1 [Mudring, Anja-Verena] Ruhr Univ Bochum, D-44780 Bochum, Germany. Iowa State Univ, Crit Mat Inst, Ames Lab, Ames, IA 50011 USA. RP Mudring, AV (reprint author), Ruhr Univ Bochum, D-44780 Bochum, Germany. EM anja.mudring@rub.de FU Deutsche Forschungsgemeinschaft [SPP 1191]; DFG Cluster of Excellence RESOLV; Critical Materials Institute, an Energy Innovation Hub - U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office FX This work has been supported by the Deutsche Forschungsgemeinschaft within the priority program SPP 1191 "Ionic Liquids", the DFG Cluster of Excellence RESOLV and the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. NR 47 TC 2 Z9 2 U1 5 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7322 EI 1873-3166 J9 J MOL LIQ JI J. Mol. Liq. PD APR PY 2014 VL 192 SI SI BP 191 EP 198 DI 10.1016/j.molliq.2014.03.005 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AH4PX UT WOS:000336111600026 ER PT J AU Zhang, Y Shuster, W AF Zhang, Yu Shuster, William TI THE COMPARATIVE ACCURACY OF TWO HYDROLOGIC MODELS IN SIMULATING WARM-SEASON RUNOFF FOR TWO SMALL, HILLSLOPE CATCHMENTS(1) SO JOURNAL OF THE AMERICAN WATER RESOURCES ASSOCIATION LA English DT Article DE stormwater; micro-catchment; distributed model; runoff; calibration ID WATER; FLOW; URBANIZATION; PARAMETERS; SYSTEMS; IMPACT; SOILS; SCALE; SWMM AB This article assesses the performance of two hydrologic models in simulating warm-season runoff for two upland, low-yield micro-catchments near Coshocton, Ohio. The two models, namely the Storm Water Management Model (SWMM) and the Gridded Surface-Subsurface Hydrologic Analysis (GSSHA), were implemented with contrasting levels of complexity, with the former representing the catchments as lumped spatial units and computing evaporation only from standing water, and the latter incorporating fine-scale variation in topography and soil properties and computing evapotranspiration from soil based on weather data. Our investigation began with uncalibrated model runs for 1990-2003 except for 1994 using a priori parameter values. Then a set of calibration experiments were performed wherein the sensitivity of model performance to the length of calibration records was examined. Our results pointed to large errors associated with simulations from both models: even the calibrated models were unable to reproduce the seasonal and between-catchment contrasts in runoff response. Using a priori parameter values, SWMM attained better results than GSSHA. However, with simple calibration, GSSHA outperformed SWMM in several respects. It was also found that extending the record of calibration rendered relatively minor changes to model performance. The practical and scientific implications of the findings are discussed. C1 [Zhang, Yu] Oak Ridge Inst Sci & Educ, Cincinnati, OH 45268 USA. [Shuster, William] US EPA, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA. RP Zhang, Y (reprint author), NOAA, Natl Weather Serv, 1325 East West Hwy, Silver Spring, MD 20910 USA. EM yu.zhang@noaa.gov FU USEPA through the Coshocton Urbanization Project; Oak Ridge Institute for Science and Education FX The research was funded by USEPA through the Coshocton Urbanization Project. The postdoctoral research associate position was funded by Oak Ridge Institute for Science and Education. We also thank Dr. James V. Bonta for providing the data and critical suggestions. Drs. Fred L. Ogden and Justin Niedzialek at University of Connecticut, and Mr. Aaron Byrd at the US Army Corp of Engineers for providing technical assistance to the implementation of GSSHA model. Three anonymous reviewers provided valuable suggestions and their contributions are graciously acknowledged here. NR 39 TC 1 Z9 1 U1 2 U2 21 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1093-474X EI 1752-1688 J9 J AM WATER RESOUR AS JI J. Am. Water Resour. Assoc. PD APR PY 2014 VL 50 IS 2 BP 434 EP 447 DI 10.1111/jawr.12135 PG 14 WC Engineering, Environmental; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA AE0WM UT WOS:000333687000015 ER PT J AU Margolin, LG AF Margolin, L. G. TI Finite scale theory: The role of the observer in classical fluid flow SO MECHANICS RESEARCH COMMUNICATIONS LA English DT Review DE Finite scale theory; Turbulence; Implicit large eddy simulation; Finite volume methods ID LARGE-EDDY SIMULATIONS; IMPLICIT LES; STOCHASTIC BACKSCATTER; ARTIFICIAL VISCOSITY; CORRECTED TRANSPORT; ENERGY-DISSIPATION; SUPERSONIC FLOWS; TURBULENCE; EQUATIONS; MODELS AB In this paper I review a coarse-grained fluid theory named the finite scale theory and describe the development of its numerical analog, implicit large eddy simulation (ILES). The derivation, interpretation and properties of the finite scale equations are discussed and connections to other physical theory and numerical methods are elucidated. (C) 2014 Published by Elsevier Ltd. C1 Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. RP Margolin, LG (reprint author), Los Alamos Natl Lab, Computat Phys Div, POB 1663, Los Alamos, NM 87545 USA. EM len@lanl.gov FU U.S. Department of Energy's NNSA; Los Alamos National Laboratory; Los Alamos National Security, LLC [DE-AC52-06NA25396] FX This work was performed under the auspices of the U.S. Department of Energy's NNSA by the Los Alamos National Laboratory operated by Los Alamos National Security, LLC under contract number DE-AC52-06NA25396. NR 58 TC 2 Z9 2 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0093-6413 J9 MECH RES COMMUN JI Mech. Res. Commun. PD APR PY 2014 VL 57 BP 10 EP 17 DI 10.1016/j.mechrescom.2013.12.004 PG 8 WC Mechanics SC Mechanics GA AH9MH UT WOS:000336466000003 ER PT J AU Williams, PT AF Williams, Paul T. TI Dose-Response Relationship between Exercise and Respiratory Disease Mortality SO MEDICINE AND SCIENCE IN SPORTS AND EXERCISE LA English DT Article DE PHYSICAL ACTIVITY; PNEUMONIA; PREVENTION; COHORT ID COMMUNITY-ACQUIRED PNEUMONIA; CORONARY-HEART-DISEASE; VENTILATOR-ASSOCIATED PNEUMONIA; NATIONAL RUNNERS HEALTH; KILLER-CELL-ACTIVITY; PHYSICAL-ACTIVITY; IMMUNE FUNCTION; RISK-FACTORS; FOLLOW-UP; OUTCOMES AB Purpose The objective of this study is to assess prospectively the dose-response relationship between respiratory disease (ICD10: J1-99), pneumonia (ICD10: J12.0-18.9), and aspiration pneumonia mortality (ICD10: J69) versus baseline walking and running energy expenditure (METhd(-1), 1 MET = 3.5 mL O(2)kg(-1)min(-1)). Methods We conducted Cox proportional hazard analyses of 109,352 runners and 40,798 walkers adjusted for age, sex, smoking, diet, alcohol, and education. Results There were 236 deaths with respiratory disease listed as the underlying cause, and 833 deaths were respiratory disease related (entity axis diagnosis). Included among these were 79 deaths with pneumonia listed as the underlying cause and 316 pneumonia-related deaths, and 77 deaths were due to aspiration pneumonia. There was no significant difference in the effect of running compared with walking (per MET-hour per day) on mortality; thus, runners and walkers were combined for analysis. Respiratory disease mortality decreased 7.9% per MET-hour per day as the underlying cause (95% CI, 1.6%-14.0%; P = 0.01) and 7.3% for all respiratory disease-related deaths (95% CI, 4.2%-10.4%; P = 10(-5)). Pneumonia mortality decreased 13.1% per MET-hour per day as the underlying cause (95% CI, 2.6%-23.2%; P = 0.01) and 10.5% per MET-hour per day for all pneumonia-related deaths (95% CI, 5.4%-15.5%; P = 0.0001). The risk for aspiration pneumonia mortality also did not differ between running and walking, and it decreased 19.9% per MET-hour per day run or walked (95% CI, 8.9%-30.2%; P = 0.0004). These results remained significant when additionally adjusted for body mass index. Conclusions Higher doses of running and walking were associated with lower risk of respiratory disease, pneumonia, and aspiration pneumonia mortality in a dose-dependent manner, and the effects of running and walking appear equivalent. These effects appear to be independent of the effects of exercise on cardiovascular disease. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Donner 464,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU NHLBI NIH HHS [HL094717, R01 HL094717] NR 37 TC 4 Z9 5 U1 0 U2 4 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0195-9131 EI 1530-0315 J9 MED SCI SPORT EXER JI Med. Sci. Sports Exerc. PD APR PY 2014 VL 46 IS 4 BP 711 EP 717 DI 10.1249/MSS.0000000000000142 PG 7 WC Sport Sciences SC Sport Sciences GA AH0WI UT WOS:000335841100009 PM 24002349 ER PT J AU Ocola, LE Rue, C Maas, D AF Ocola, Leonidas E. Rue, Chad Maas, Diederik TI High-resolution direct-write patterning using focused ion beams SO MRS BULLETIN LA English DT Article DE He; Ne; Si; Ga; microstructure; nanostructure; ion-solid interactions; ion-beam assisted deposition; ion-implantation; lithography (removal); ion-beam processing ID LITHOGRAPHY; MICROSCOPY; ENERGY AB Over the last few years, significant improvements in sources, columns, detectors, control software, and accessories have enabled a wealth of new focused ion beam applications. In addition, modeling has provided many insights into ion-sample interactions and the resultant effects on the sample. With the knowledge gained, the community has found new ion-beam induced chemistries and ion-beam sources, allowing extending nanostructure fabrication and material deposition to smaller dimensions and better control for direct write and patterning. Insignificant proximity effects in resist-based ion beam lithography, combined with the availability of sub-nm ion spot sizes, opens the way to sub-10 nm structures and dense patterns. Additionally, direct-write ion beam nanomachining can process multilevel structures with arbitrary depths in one single process step, with all the information included in a single standard design file, thus enabling fabrication applications not achievable with any other technique. C1 [Ocola, Leonidas E.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Rue, Chad] FEI Co, Hillsboro, OR USA. [Maas, Diederik] TNO, Delft, Netherlands. RP Ocola, LE (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM ocola@anl.gov; chad.rue@fei.com; diederik.maas@tno.nl OI Ocola, Leonidas/0000-0003-4990-1064 FU Argonne National Laboratory Center for Nanoscale Materials, US Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357]; NanoNextNL, a micro and nanotechnology consortium of the Government of the Netherlands FX This work was performed, in part, at the Argonne National Laboratory Center for Nanoscale Materials, US Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. Part of this work is also supported by NanoNextNL, a micro and nanotechnology consortium of the Government of the Netherlands and 130 partners. D. M. acknowledges Paul F.A. Alkemade for his essential contribution to developing nanofabrication techniques with the HIM. NR 45 TC 7 Z9 7 U1 5 U2 23 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD APR PY 2014 VL 39 IS 4 BP 336 EP 341 DI 10.1557/mrs.2014.56 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AE6LS UT WOS:000334105100012 ER PT J AU Joy, DC Michael, JR AF Joy, D. C. Michael, J. R. TI Modeling ion-solid interactions for imaging applications SO MRS BULLETIN LA English DT Article DE ion beam analysis; microstructure; morphology ID SCANNING-ELECTRON; CONTRAST; IMAGES AB Ion beams are now widely used to thin, shape, or cut materials on the submicrometer scale. This is possible because ions can sputter (i.e., physically remove) material from the target. Ions can also be used to image materials because the incident beam generates ion-induced secondary electrons (iSE). In both cases, the nature of the target material and the choice of the ion employed and its initial energy will determine not only how quickly the beam can thin a specimen, but also the resolution and contrast of the iSE image that is generated. Clearly, there is a need to be able to predict parameters, such as the nature, information content, and spatial resolution of the iSE image. These and other related questions have been investigated using Monte Carlo simulations. We show how the parameters defining quantities, such as depth of penetration and the energy deposited by the incident beam, or the signal yield and resolution of the iSE image, can be predicted using this approach and how these results make it possible to interpret data and optimize operating conditions. C1 [Joy, D. C.] Univ Tennessee, Dept Mat Sci & Engn, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. [Michael, J. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Joy, DC (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. EM djoy@utk.edu; jrmicha@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 16 TC 1 Z9 1 U1 1 U2 13 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD APR PY 2014 VL 39 IS 4 BP 342 EP 346 DI 10.1557/mrs.2014.57 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AE6LS UT WOS:000334105100013 ER PT J AU Kotula, PG Rohrer, GS Marsh, MP AF Kotula, Paul G. Rohrer, Gregory S. Marsh, Michael P. TI Focused ion beam and scanning electron microscopy for 3D materials characterization SO MRS BULLETIN LA English DT Article DE scanning electron microscopy (SEM); chemical composition; crystallographic structure; ion solid interactions ID ENERGY-DISTRIBUTIONS; FIB; MICROSTRUCTURES; RECONSTRUCTION; MICROANALYSIS; SIMULATION; SYSTEM AB In this article, we review focused ion beam serial sectioning microscopy paired with analytical techniques, such as electron backscatter diffraction or x-ray energy-dispersive spectrometry, to study materials chemistry and structure in three dimensions. These three-dimensional microanalytical approaches have been greatly extended due to advances in software for both microscope control and data interpretation. Samples imaged with these techniques reveal structural features of materials that can be quantitatively characterized with rich chemical and crystallographic detail. We review these technological advances and the application areas that are benefitting. We also consider the challenges that remain for data collection, data processing, and visualization, which collectively limit the scale of these investigations. Further, we discuss recent innovations in quantitative analyses and numerical modeling that are being applied to microstructures illuminated by these techniques. C1 [Kotula, Paul G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Rohrer, Gregory S.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Marsh, Michael P.] Marsh Imaging & Visualizat, Denver, CO USA. RP Kotula, PG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM paul.kotula@sandia.gov; gr20@andrew.cmu.edu; mike@marshimaging.com RI Kotula, Paul/A-7657-2011; Rohrer, Gregory/A-9420-2008 OI Kotula, Paul/0000-0002-7521-2759; Rohrer, Gregory/0000-0002-9671-3034 FU United States Department of Energy (DOE) [DE-AC0494AL85000]; ONR-MURI [N00014-11-1-0678]; MRSEC program of the National Science Foundation [DMR-0520425] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy (DOE) under contract DE-AC0494AL85000. P. K. acknowledges Michael Rye at Sandia for helping with manual serial sectioning and 3D XEDS acquisition. G.S.R. acknowledges financial support from the ONR-MURI under Grant No. N00014-11-1-0678 and the MRSEC program of the National Science Foundation under Award DMR-0520425. NR 36 TC 7 Z9 7 U1 1 U2 22 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD APR PY 2014 VL 39 IS 4 BP 361 EP 365 DI 10.1557/mrs.2014.55 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AE6LS UT WOS:000334105100016 ER PT J AU Voon, LCLY Guzman-Verri, GG AF Voon, L. C. Lew Yan Guzman-Verri, G. G. TI Is silicene the next graphene? SO MRS BULLETIN LA English DT Article DE Si; electronic material; nanostructure; electronic structure; atomic layer deposition ID ELECTRONIC-PROPERTIES; OPTICAL-PROPERTIES; LAYERED SILICON; NANOSHEETS; 1ST-PRINCIPLES; STABILITY; GERMANENE; FERROMAGNETISM; HYDROGENATION; TRANSITION AB This article reviews silicene, a relatively new allotrope of silicon, which can also be viewed as the silicon version of graphene. Graphene is a two-dimensional material with unique electronic properties qualitatively different from those of standard semiconductors such as silicon. While many other two-dimensional materials are now being studied, our focus here is solely on silicene. We first discuss its synthesis and the challenges presented. Next, a survey of some of its physical properties is provided. Silicene shares many of the fascinating properties of graphene, such as the so-called Dirac electronic dispersion. The slightly different structure, however, leads to a few major differences compared to graphene, such as the ability to open a bandgap in the presence of an electric field or on a substrate, a key property for digital electronics applications. We conclude with a brief survey of some of the potential applications of silicene. C1 [Voon, L. C. Lew Yan] The Citadel, Sch Sci & Math, Charleston, SC 29409 USA. [Guzman-Verri, G. G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Voon, LCLY (reprint author), The Citadel, Sch Sci & Math, Charleston, SC 29409 USA. EM llewyanv@citadel.edu; gguzman-verri@anl.gov RI Guzman-Verri, G/H-6031-2011 FU National Science Foundation; Citadel Foundation; Traubert Endowed Funds; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Our early research on silicene was partially funded by the National Science Foundation. Writing of this article was facilitated by funds from The Citadel Foundation, the Traubert Endowed Funds, and the US Department of Energy, Office of Basic Energy Sciences under contract no. DE-AC02-06CH11357. NR 75 TC 25 Z9 25 U1 7 U2 78 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD APR PY 2014 VL 39 IS 4 BP 366 EP 373 DI 10.1557/mrs.2014.60 PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AE6LS UT WOS:000334105100017 ER PT J AU Bahn, M Reichstein, M Dukes, JS Smith, MD McDowell, NG AF Bahn, Michael Reichstein, Markus Dukes, Jeffrey S. Smith, Melinda D. McDowell, Nate G. TI Climate-biosphere interactions in a more extreme world SO NEW PHYTOLOGIST LA English DT Article DE acclimation; Earth system models; ecosystem process; extreme climatic events; legacy effect; resilience; threshold response; tipping point ID PRECIPITATION MANIPULATION EXPERIMENTS; VEGETATION MORTALITY; DROUGHT; EVENTS; FUTURE; PLANTS; CONSEQUENCES; DEFINITION; GRASSLAND; FRAMEWORK C1 [Bahn, Michael] Univ Innsbruck, Inst Ecol, A-6020 Innsbruck, Austria. [Reichstein, Markus] Max Planck Inst Biogeochem, D-07745 Jena, Germany. [Dukes, Jeffrey S.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. [Dukes, Jeffrey S.] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA. [Smith, Melinda D.] Colorado State Univ, Dept Biol, Grad Degree Program Ecol, Ft Collins, CO 80526 USA. [McDowell, Nate G.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Bahn, M (reprint author), Univ Innsbruck, Inst Ecol, Sternwartestr 15, A-6020 Innsbruck, Austria. EM michael.bahn@uibk.ac.at RI Bahn, Michael/I-3536-2013; Smith, Melinda/J-8987-2014; Young, Kristina/M-3069-2014; Dukes, Jeffrey/C-9765-2009 OI Bahn, Michael/0000-0001-7482-9776; Dukes, Jeffrey/0000-0001-9482-7743 NR 28 TC 16 Z9 16 U1 9 U2 91 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 APR PY 2014 VL 202 IS 2 BP 356 EP 359 DI 10.1111/nph.12662 PG 4 WC Plant Sciences SC Plant Sciences GA AD2JH UT WOS:000333060500005 PM 24383455 ER PT J AU Toome, M Ohm, RA Riley, RW James, TY Lazarus, KL Henrissat, B Albu, S Boyd, A Chow, J Clum, A Heller, G Lipzen, A Nolan, M Sandor, L Zvenigorodsky, N Grigoriev, IV Spatafora, JW Aime, MC AF Toome, Merje Ohm, Robin A. Riley, Robert W. James, Timothy Y. Lazarus, Katherine L. Henrissat, Bernard Albu, Sebastian Boyd, Alexander Chow, Julianna Clum, Alicia Heller, Gregory Lipzen, Anna Nolan, Matt Sandor, Laura Zvenigorodsky, Natasha Grigoriev, Igor V. Spatafora, Joseph W. Aime, M. Catherine TI Genome sequencing provides insight into the reproductive biology, nutritional mode and ploidy of the fern pathogen Mixia osmundae SO NEW PHYTOLOGIST LA English DT Article DE biotrophic fungi; CAZy; fungal genomics; Mixiomycetes; Osmunda spp; sporogenesis ID YEAST RHODOSPORIDIUM-TORULOIDES; MATING-TYPE; SEXUAL REPRODUCTION; TAPHRINA-OSMUNDAE; PLANT; EVOLUTION; OBLIGATE; BIPOLAR; FUNGI; IDENTIFICATION AB Mixia osmundae (Basidiomycota, Pucciniomycotina) represents a monotypic class containing an unusual fern pathogen with incompletely understood biology. We sequenced and analyzed the genome of M.osmundae, focusing on genes that may provide some insight into its mode of pathogenicity and reproductive biology. Mixia osmundae has the smallest plant pathogenic basidiomycete genome sequenced to date, at 13.6Mb, with very few repeats, high gene density, and relatively few significant gene family gains. The genome shows that the yeast state of M.osmundae is haploid and the lack of segregation of mating genes suggests that the spores produced on Osmunda spp. fronds are probably asexual. However, our finding of a complete complement of mating and meiosis genes suggests the capacity to undergo sexual reproduction. Analyses of carbohydrate active enzymes suggest that this fungus is a biotroph with the ability to break down several plant cell wall components. Analyses of publicly available sequence data show that other Mixia members may exist on other plant hosts and with a broader distribution than previously known. C1 [Toome, Merje; Aime, M. Catherine] Purdue Univ, Dept Bot & Plant Pathol, W Lafayette, IN 47907 USA. [Ohm, Robin A.; Riley, Robert W.; Chow, Julianna; Clum, Alicia; Lipzen, Anna; Nolan, Matt; Sandor, Laura; Zvenigorodsky, Natasha; Grigoriev, Igor V.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [James, Timothy Y.; Lazarus, Katherine L.] Univ Michigan, Dept Ecol & Evolutionary Biol, Ann Arbor, MI 48109 USA. [Henrissat, Bernard] Aix Marseille Univ, CNRS, UMR 7257, F-13288 Marseille, France. [Albu, Sebastian; Heller, Gregory] Louisiana State Univ, Dept Plant Pathol & Crop Physiol, Ctr Agr, Baton Rouge, LA 70803 USA. [Boyd, Alexander; Spatafora, Joseph W.] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA. RP Aime, MC (reprint author), Purdue Univ, Dept Bot & Plant Pathol, W Lafayette, IN 47907 USA. EM maime@purdue.edu RI Henrissat, Bernard/J-2475-2012; Ohm, Robin/I-6689-2016 FU National Science Foundation Assembling the Fungal Tree of Life project [NSF DEB-0732968]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX Strains JCM 22200, 22183 and 22184 were provided by the Japan Collection of Microorganisms, RIKEN BRC which is participating in the National BioResource Project of the MEXT, Japan. Dr Lynn G. Clark from Iowa State University is thanked for providing additional information about the environmental sequences obtained from bamboo, and Dr Mahajabeen Padamsee assisted with sample preparation. We are thankful to Dr Michael Perlin and Dr Kenneth Wolfe for granting permission to use the unpublished genome data of M. violaceum and S. roseus, respectively. We also thank Dr Louis Corrochano for allowing us to use the unpublished genome of P. blakesleeanus in phylogenetic analyses. Dr Steve Goodwin is acknowledged for discussions and comments on an earlier version of the manuscript. We thank Kanehisa Labs for allowing the use of the meiosis pathway map. This study was supported by the National Science Foundation Assembling the Fungal Tree of Life project, NSF DEB-0732968. The work conducted by the US Department of Energy Joint Genome Institute is supported by the Office of Science of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 68 TC 12 Z9 12 U1 2 U2 25 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X EI 1469-8137 J9 NEW PHYTOL JI New Phytol. PD APR PY 2014 VL 202 IS 2 BP 554 EP 564 DI 10.1111/nph.12653 PG 11 WC Plant Sciences SC Plant Sciences GA AD2JH UT WOS:000333060500026 PM 24372469 ER PT J AU Keiser, DD Jue, JF Miller, BD Gan, J Robinson, AB Medvedev, P Madden, J Wachs, D Meyer, M AF Keiser, Dennis D., Jr. Jue, Jan-Fong Miller, Brandon D. Gan, Jian Robinson, Adam B. Medvedev, Pavel Madden, James Wachs, Dan Meyer, Mitch TI SCANNING ELECTRON MICROSCOPY ANALYSIS OF FUEL/MATRIX INTERACTION LAYERS IN HIGHLY-IRRADIATED U-Mo DISPERSION FUEL PLATES WITH Al AND Al-Si ALLOY MATRICES SO NUCLEAR ENGINEERING AND TECHNOLOGY LA English DT Article DE Electron Microscopy; Nuclear Fuel; Research Reactor; Uranium Molybdenum Alloy, Microstructure ID E-FUTURE PLATES; NONDESTRUCTIVE ANALYSES; MICROSTRUCTURE; PERFORMANCE; SAMPLES AB In order to investigate how the microstructure of fuel/matrix-interaction (FMI) layers change during irradiation, different U-7Mo dispersion fuel plates have been irradiated to high fission density and then characterized using scanning electron microscopy (SEM). Specifially, samples from irradiated U-7Mo dispersion fuel elements with pure Al, Al-2Si and AA4043 (similar to 4.5 wt.%Si) matrices were SEM characterized using polished samples and samples that were prepared with a focused ion beam (FIB). Features not observable for the polished samples could be captured in SEM images taken of the FIB samples. For the Al matrix sample, a relatively large FMI layer develops, with enrichment of Xe at the FMI layer/Al matrix interface and evidence of debonding. Overall, a significant penetration of Si from the FMI layer into the U-7Mo fuel was observed for samples with Si in the Al matrix, which resulted in a change of the size (larger) and shape (round) of the fission gas bubbles. Additionally, solid fission product phases were observed to nucleate and grow within these bubbles. These changes in the localized regions of the microstructure of the U-7Mo may contribute to changes observed in the macroscopic swelling of fuel plates with Al-Si matrices. C1 [Keiser, Dennis D., Jr.; Jue, Jan-Fong; Miller, Brandon D.; Gan, Jian; Robinson, Adam B.; Medvedev, Pavel; Madden, James; Wachs, Dan; Meyer, Mitch] Idaho Natl Lab, Nucl Fuels & Mat Div, Idaho Falls, ID 83415 USA. RP Keiser, DD (reprint author), Idaho Natl Lab, Nucl Fuels & Mat Div, POB 1625, Idaho Falls, ID 83415 USA. EM Dennis.Keiser@inl.gov OI Meyer, Mitchell/0000-0002-1980-7862 FU U.S. Department of Energy [DE-AC07-051D14517] FX This manuscript has been authored by Battelle Energy Alliance, LLC, under Contract No. DE-AC07-051D14517 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, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U. S. Government purposes. The HFEF staff, located at INL, is thankfully acknowledged for its contributions in performing PIE and generating punchings used for conducting the SEM analysis. Acknowledgment is given to the ATR staff for their assistance in performing the irradiation experiments. NR 29 TC 1 Z9 1 U1 4 U2 9 PU KOREAN NUCLEAR SOC PI DAEJEON PA NUTOPIA BLDG, 342-1 JANGDAE-DONG, DAEJEON, 305-308, SOUTH KOREA SN 1738-5733 J9 NUCL ENG TECHNOL JI Nucl. Eng. Technol. PD APR PY 2014 VL 46 IS 2 BP 147 EP 158 DI 10.5516/NET.07.2014.704 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7VB UT WOS:000336342300002 ER PT J AU Ryu, HJ Kim, YS AF Ryu, Ho Jin Kim, Yeon Soo TI INFLUENCE OF FUEL-MATRIX INTERACTION ON THE BREAKAWAY SWELLING OF U-MO DISPERSION FUEL IN AL SO NUCLEAR ENGINEERING AND TECHNOLOGY LA English DT Article DE U-Mo; Dispersion Fuel; Breakaway Swelling; Fuel-matrix Interaction; Fission Gas Release ID IRRADIATION BEHAVIOR; PARTICLE DISPERSION; LAYER GROWTH; SI; INTERDIFFUSION; PRODUCT; PLATES AB In order to advance understanding of the breakaway swelling behavior of U-Mo/Al dispersion fuel under a high-power irradiation condition, the effects of fuel-matrix interaction on the fuel performance of U-Mo/Al dispersion fuel were investigated. Fission gas release into large interfacial pores between interaction layers and the Al matrix was analyzed using both mechanistic models and observations of the post-irradiation examination results of U-Mo dispersion fuels. Using the model predictions, advantageous fuel design parameters are recommended to prevent breakaway swelling. C1 [Ryu, Ho Jin] Korea Adv Inst Sci & Technol, Dept Nucl & Quantum Engn, Taejon 305701, South Korea. [Kim, Yeon Soo] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Ryu, HJ (reprint author), Korea Adv Inst Sci & Technol, Dept Nucl & Quantum Engn, 291 Daehakro, Taejon 305701, South Korea. EM hojinryu@kaist.ac.kr RI RYU, HO JIN/J-2764-2013 OI RYU, HO JIN/0000-0002-3387-7381 FU Ministry of Science, Information and Future Planning (MSIP) of Korea [NRF-2013M2A8A1041241]; Korea Advanced Institute of Science and Technology (KAIST) FX This study was supported by the National Nuclear R&D Program of the Ministry of Science, Information and Future Planning (MSIP) of Korea (NRF-2013M2A8A1041241) and by Korea Advanced Institute of Science and Technology (KAIST). NR 47 TC 4 Z9 4 U1 1 U2 2 PU KOREAN NUCLEAR SOC PI DAEJEON PA NUTOPIA BLDG, 342-1 JANGDAE-DONG, DAEJEON, 305-308, SOUTH KOREA SN 1738-5733 J9 NUCL ENG TECHNOL JI Nucl. Eng. Technol. PD APR PY 2014 VL 46 IS 2 BP 159 EP 168 DI 10.5516/NET.07.2014.705 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7VB UT WOS:000336342300003 ER PT J AU Meyer, MK Gan, J Jue, JF Keiser, DD Perez, E Robinson, A Wachs, DM Woolstenhulme, N Hofman, GL Kim, YS AF Meyer, M. K. Gan, J. Jue, J. F. Keiser, D. D. Perez, E. Robinson, A. Wachs, D. M. Woolstenhulme, N. Hofman, G. L. Kim, Y. S. TI IRRADIATION PERFORMANCE OF U-Mo MONOLITHIC FUEL SO NUCLEAR ENGINEERING AND TECHNOLOGY LA English DT Article DE U-Mo; Monolithic Fuel; Research Reactor; Dispersion; Irradiation Testing; Low-enriched Uranium ID LOW MOLYBDENUM ALLOYS; DISPERSION FUEL; GAMMA-PHASE; DIFFUSION BARRIER; ZR; DECOMPOSITION; BEHAVIOR; PLATES; MICROSTRUCTURE; INTERDIFFUSION AB High-performance research reactors require fuel that operates at high specific power to high fission density, but at relatively low temperatures. Research reactor fuels are designed for efficient heat rejection, and are composed of assemblies of thin-plates clad in aluminum alloy. The development of low-enriched fuels to replace high-enriched fuels for these reactors requires a substantially increased uranium density in the fuel to offset the decrease in enrichment. Very few fuel phases have been identified that have the required combination of very-high uranium density and stable fuel behavior at high burnup. U-Mo alloys represent the best known tradeoff in these properties. Testing of aluminum matrix U-Mo aluminum matrix dispersion fuel revealed a pattern of breakaway swelling behavior at intermediate bumup, related to the formation of a molybdenum stabilized high aluminum intermetallic phase that forms during irradiation. In the case of monolithic fuel, this issue was addressed by eliminating, as much as possible, the interfacial area between U-Mo and aluminum. Based on scoping irradiation test data, a fuel plate system composed of solid U-10Mo fuel meat, a zirconium diffusion barrier, and A16061 cladding was selected for development. Developmental testing of this fuel system indicates that it meets core criteria for fuel qualification, including stable and predictable swelling behavior, mechanical integrity to high burnup, and geometric stability. In addition, the fuel exhibits robust behavior during power-cooling mismatch events under irradiation at high power. C1 [Meyer, M. K.; Gan, J.; Jue, J. F.; Keiser, D. D.; Perez, E.; Robinson, A.; Wachs, D. M.; Woolstenhulme, N.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Hofman, G. L.; Kim, Y. S.] Argonne Natl Lab, Lemont, IL 60439 USA. RP Meyer, MK (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83415 USA. EM mitchell.meyer@inl.gov OI Meyer, Mitchell/0000-0002-1980-7862 FU U.S. Department of Energy, Office of Nuclear Materials Threat Reduction [NA-212]; National Nuclear Security Administration, under DOE NE Idaho Operations Office [DE-AC07-05ID14517]; agency of the U.S. Government FX This work was supported by the U.S. Department of Energy, Office of Nuclear Materials Threat Reduction (NA-212), National Nuclear Security Administration, under DOE NE Idaho Operations Office Contract DE-AC07-05ID14517. Accordingly, the U. S. Government retains a non-exclusive, royalty-free license to publish or reproduce the published from of this contribution, or allow others to do so, for U.S. Government purposes. This information 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. References herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government or any agency thereof. The views and opinions of the authors expressed herein do not necessarily state or reflect those of the U.S. Government or any agency thereof. NR 68 TC 12 Z9 12 U1 1 U2 13 PU KOREAN NUCLEAR SOC PI DAEJEON PA NUTOPIA BLDG, 342-1 JANGDAE-DONG, DAEJEON, 305-308, SOUTH KOREA SN 1738-5733 J9 NUCL ENG TECHNOL JI Nucl. Eng. Technol. PD APR PY 2014 VL 46 IS 2 BP 169 EP 182 DI 10.5516/NET.07.2014.706 PG 14 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AH7VB UT WOS:000336342300004 ER PT J AU Guimaraes, JC Rocha, M Arkin, AP AF Guimaraes, Joao C. Rocha, Miguel Arkin, Adam P. TI Transcript level and sequence determinants of protein abundance and noise in Escherichia coli SO NUCLEIC ACIDS RESEARCH LA English DT Article ID MESSENGER-RNA EXPRESSION; SYNONYMOUS CODON USAGE; RIBOSOME BINDING-SITES; GENE-EXPRESSION; TRANSLATION INITIATION; QUANTITATIVE-ANALYSIS; SECONDARY STRUCTURE; SACCHAROMYCES-CEREVISIAE; INTRAGENIC POSITION; BACILLUS-SUBTILIS AB The range over which a protein is expressed, and its cell-to-cell variability, is often thought to be linked to the demand for its activity. Steady-state protein level is determined by multiple mechanisms controlling transcription and translation, many of which are limited by DNA- and RNA-encoded signals that affect initiation, elongation and termination of polymerases and ribosomes. We performed a comprehensive analysis of > 100 sequence features to derive a predictive model composed of a minimal non-redundant set of factors explaining 66% of the total variation of protein abundance observed in > 800 genes in Escherichia coli. The model suggests that protein abundance is primarily determined by the transcript level (53%) and by effectors of translation elongation (12%), whereas only a small fraction of the variation is explained by translational initiation (1%). Our analyses uncover a new sequence determinant, not previously described, affecting translation initiation and suggest that elongation rate is affected by both codon biases and specific amino acid composition. We also show that transcription and translation efficiency may have an effect on expression noise, which is more similar than previously assumed. C1 [Guimaraes, Joao C.; Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Guimaraes, Joao C.; Arkin, Adam P.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Guimaraes, Joao C.; Rocha, Miguel] Univ Minho, Sch Engn, Comp Sci & Technol Ctr, P-4710057 Braga, Portugal. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Arkin, AP (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. EM aparkin@lbl.gov RI Rocha, Miguel/B-9404-2011; Arkin, Adam/A-6751-2008; Guimaraes, Joao/A-8572-2012 OI Rocha, Miguel/0000-0001-8439-8172; Arkin, Adam/0000-0002-4999-2931; Guimaraes, Joao/0000-0002-1664-472X FU Fundacao para a Ciencia e Tecnologia [SFRH/BD/47819/2008]; Synthetic Biology Engineering Research Center under National Science Foundation [04-570/0540879]; European Regional Development Fund through the COMPETE Programme; National Funds through the Fundacao para a Ciencia e a Tecnologia [FCOMP-01-0124-FEDER-015079]; Synthetic Biology Engineering Research Center FX Fundacao para a Ciencia e Tecnologia [SFRH/BD/47819/2008 to JCG]; the Synthetic Biology Engineering Research Center under National Science Foundation [04-570/0540879]; and the European Regional Development Fund through the COMPETE Programme and by National Funds through the Fundacao para a Ciencia e a Tecnologia [FCOMP-01-0124-FEDER-015079]. Funding for open access charge: Synthetic Biology Engineering Research Center. NR 73 TC 24 Z9 25 U1 1 U2 26 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD APR PY 2014 VL 42 IS 8 BP 4791 EP 4799 DI 10.1093/nar/gku126 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AH4JD UT WOS:000336092300013 PM 24510099 ER PT J AU Tu, QC He, ZL Zhou, JZ AF Tu, Qichao He, Zhili Zhou, Jizhong TI Strain/species identification in metagenomes using genome-specific markers SO NUCLEIC ACIDS RESEARCH LA English DT Article ID HUMAN MICROBIOME; GUT MICROBIOTA; WIDE ASSOCIATION; COMMUNITY; SEQUENCE; GENES; DIVERSITY; BUTYRATE; INSIGHTS; REVEALS AB Shotgun metagenome sequencing has become a fast, cheap and high-throughput technology for characterizing microbial communities in complex environments and human body sites. However, accurate identification of microorganisms at the strain/species level remains extremely challenging. We present a novel k-mer-based approach, termed GSMer, that identifies genome-specific markers (GSMs) from currently sequenced microbial genomes, which were then used for strain/species-level identification in metagenomes. Using 5390 sequenced microbial genomes, 8 770 321 50-mer strain-specific and 11 736 360 species-specific GSMs were identified for 4088 strains and 2005 species (4933 strains), respectively. The GSMs were first evaluated against mock community metagenomes, recently sequenced genomes and real metagenomes from different body sites, suggesting that the identified GSMs were specific to their targeting genomes. Sensitivity evaluation against synthetic metagenomes with different coverage suggested that 50 GSMs per strain were sufficient to identify most microbial strains with a parts per thousand yen0.25x coverage, and 10% of selected GSMs in a database should be detected for confident positive callings. Application of GSMs identified 45 and 74 microbial strains/species significantly associated with type 2 diabetes patients and obese/lean individuals from corresponding gastrointestinal tract metagenomes, respectively. Our result agreed with previous studies but provided strain-level information. The approach can be directly applied to identify microbial strains/species from raw metagenomes, without the effort of complex data pre-processing. C1 [Tu, Qichao; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Inst Environm Genom, Norman, OK 73072 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. RP Zhou, JZ (reprint author), Univ Oklahoma, Dept Microbiol & Plant Biol, Inst Environm Genom, Norman, OK 73072 USA. EM zhili.he@ou.edu; jzhou@ou.edu FU ENIGMA, a Scientific Focus Area [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER), 'Genomics: GTL Foundational Science'; OBER Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program [DE-SC0004601]; U.S. National Science Foundation MacroSystems Biology program [NSF EF-1065844]; Oklahoma Center for the Advancement of Science and Technology (OCAST) through the Oklahoma Applied Research Support (OARS) Project [AR11-035] FX Funding for open access charge: The theoretical part of this study was supported, through contract [DE-AC02-05CH11231] (as part of ENIGMA, a Scientific Focus Area), by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER), 'Genomics: GTL Foundational Science', to Lawrence Berkeley National Laboratory, by the OBER Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program [DE-SC0004601] and by the U.S. National Science Foundation MacroSystems Biology program under the contract [NSF EF-1065844]. The application part of this study was supported by the Oklahoma Center for the Advancement of Science and Technology (OCAST) through the Oklahoma Applied Research Support (OARS) Project [AR11-035]. NR 53 TC 5 Z9 6 U1 1 U2 31 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD APR PY 2014 VL 42 IS 8 AR e67 DI 10.1093/nar/gku138 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AH4JD UT WOS:000336092300006 PM 24523352 ER PT J AU Wang, GT Li, QM Wierer, JJ Koleske, DD Figiel, JJ AF Wang, George T. Li, Qiming Wierer, Jonathan J. Koleske, Daniel D. Figiel, Jeffrey J. TI Top-down fabrication and characterization of axial and radial III-nitride nanowire LEDs SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article DE GaN; LEDs; nanowires; top-down ID LIGHT-EMITTING-DIODES; QUANTUM-WELLS; SI(111); ARRAYS AB Complex axial and radial type III-nitride InGaN/GaN nanowire LEDs are realized using a recently developed top-down fabrication approach which enables high quality GaN-based nanowires with independently controlled height, pitch, and diameter. In this paper, we report on the fabrication, structural characterization, and luminescence of these two different structures and discuss their relative merits, weaknesses, and prospects in the context of the field. Axial (left) and radial (right) nanowire LEDs fabricated by a two-step top-down method. C1 [Wang, George T.; Li, Qiming; Wierer, Jonathan J.; Koleske, Daniel D.; Figiel, Jeffrey J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wang, GT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gtwang@sandia.gov RI Wierer, Jonathan/G-1594-2013 OI Wierer, Jonathan/0000-0001-6971-4835 FU Sandia's Laboratory Directed Research and Development program; Sandia's Solid State Lighting Science Energy Frontier Research Center; DOE BES; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The radial nanowire LED shell re-growth and electrical device fabrication and characterization was funded by Sandia's Laboratory Directed Research and Development program. The remainder of the work was funded by Sandia's Solid State Lighting Science Energy Frontier Research Center, funded by DOE BES. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 16 TC 8 Z9 8 U1 4 U2 37 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1862-6300 EI 1862-6319 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD APR PY 2014 VL 211 IS 4 BP 748 EP 751 DI 10.1002/pssa.201300491 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA AE3XM UT WOS:000333911800005 ER PT J AU Balakrishnan, K AF Balakrishnan, Kaushik TI Explosion-driven Rayleigh-Taylor instability in gas-particle mixtures SO PHYSICS OF FLUIDS LA English DT Article ID RICHTMYER-MESHKOV INSTABILITIES; BUOYANCY-DRAG MODEL; BLAST-WAVE; NUMERICAL-SIMULATION; HEAT-TRANSFER; SHOCK-TUBE; DISPERSION; BUBBLE; CLOUDS; SPHERE AB The structure and growth of an explosion-driven Rayleigh-Taylor instability in gas-particle mixtures is investigated using two-dimensional numerical simulations. Particle concentration and diameter are varied and the growth of the ensuing mixing layer and its dependence on these parameters is investigated. The hydrodynamic structures are subdued and lose their coherence with increase in solid particle concentrations. When the solid particle concentration is fixed but particle diameter varied, a non-monotic behavior is observed. It is found that an intermediate particle size results in the widest mixing zone and degree of mixing. This is due to the differences in the spatial accumulation of the particles as they disperse. Small particles accumulate in the bubbles and around the spikes of the Rayleigh-Taylor structures; intermediate-sized particles in the tips of the spikes and as roots into the driver fluid; large particles accumulate primarily in the spikes and as thin, elongated roots into the driver fluid. Such differences are attributed to the response time or Stokes number of the particles. Finally, future directions for extending the current research are summarized. (C) 2014 AIP Publishing LLC. C1 [Balakrishnan, Kaushik] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Balakrishnan, K (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. EM kaushikb258@gmail.com NR 33 TC 3 Z9 3 U1 1 U2 15 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 APR PY 2014 VL 26 IS 4 AR 043303 DI 10.1063/1.4873175 PG 15 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AH5FA UT WOS:000336152700026 ER PT J AU Olson, BJ Greenough, J AF Olson, Britton J. Greenough, Jeff TI Large eddy simulation requirements for the Richtmyer-Meshkov instability SO PHYSICS OF FLUIDS LA English DT Article ID RAYLEIGH-TAYLOR INSTABILITY; TURBULENCE; REFINEMENT; MODELS; FLOWS AB The shock induced mixing of two gases separated by a perturbed interface is investigated through Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS). In a simulation, physical dissipation of the velocity field and species mass fraction often compete with numerical dissipation arising from the errors of the numerical method. In a DNS, the computational mesh resolves all physical gradients of the flow and the relative effect of numerical dissipation is small. In LES, unresolved scales are present and numerical dissipation can have a large impact on the flow, depending on the computational mesh. A suite of simulations explores the space between these two extremes by studying the effects of grid resolution, Reynolds number, and numerical method on the mixing process. Results from a DNS are shown using two different codes that use a high-and low-order numerical method and show convergence in the temporal and spectral dependent quantities associated with mixing. Data from an unresolved, high Reynolds number LES are also presented and include a grid convergence study. A model for an effective viscosity is proposed which allows for an a posteriori analysis of the simulation database that is agnostic to the LES model, numerics, and the physical Reynolds number of the simulation. An analogous approximation for an effective species diffusivity is also presented. This framework is then used to estimate the effective Reynolds number and Schmidt number of future simulations, elucidate the impact of numerical dissipation on the mixing process for an arbitrary numerical method, and provide guidance for resolution requirements of future calculations in this flow regime. (C) 2014 AIP Publishing LLC. C1 [Olson, Britton J.; Greenough, Jeff] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Olson, BJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM olson45@llnl.gov FU (U.S.) Department of Energy (DOE) by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the (U.S.) Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. The authors wish to thank A. Cook, W. Cabot, O. Schilling, and B. Morgan for many valuable discussions and for help in running the codes. NR 33 TC 6 Z9 7 U1 3 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 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD APR PY 2014 VL 26 IS 4 AR 044103 DI 10.1063/1.4871396 PG 25 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AH5FA UT WOS:000336152700032 ER PT J AU Boedo, JA Myra, JR Zweben, S Maingi, R Maqueda, RJ Soukhanovskii, VA Ahn, JW Canik, J Crocker, N D'Ippolito, DA Bell, R Kugel, H Leblanc, B Roquemore, LA Rudakov, DL AF Boedo, J. A. Myra, J. R. Zweben, S. Maingi, R. Maqueda, R. J. Soukhanovskii, V. A. Ahn, J. W. Canik, J. Crocker, N. D'Ippolito, D. A. Bell, R. Kugel, H. Leblanc, B. Roquemore, L. A. Rudakov, D. L. CA NSTX Team TI Edge transport studies in the edge and scrape-off layer of the National Spherical Torus Experiment with Langmuir probes SO PHYSICS OF PLASMAS LA English DT Article ID ALCATOR C-MOD; DIII-D TOKAMAK; TURBULENT TRANSPORT; PARTICLE-TRANSPORT; PLASMA TURBULENCE; LOCALIZED MODES; BLOB TRANSPORT; ELECTROSTATIC FLUCTUATIONS; INTERMITTENT CONVECTION; VELOCITY SHEAR AB Transport and turbulence profiles were directly evaluated using probes for the first time in the edge and scrape-off layer (SOL) of NSTX [Ono et al., Nucl. Fusion 40, 557 (2000)] in low (L) and high (H) confinement, low power (P-in similar to 1.3 MW), beam-heated, lower single-null discharges. Radial turbulent particle fluxes peak near the last closed flux surface (LCFS) at approximate to 4 x 10(21) s(-1) in L-mode and are suppressed to approximate to 0.2 x 10(21) s(-1) in H mode (80%-90% lower) mostly due to a reduction in density fluctuation amplitude and of the phase between density and radial velocity fluctuations. The radial particle fluxes are consistent with particle inventory based on SOLPS fluid modeling. A strong intermittent component is identified. Hot, dense plasma filaments 4-10 cm in diameter, appear first similar to 2 cm inside the LCFS at a rate of similar to 1 x 10(21) s(-1) and leave that region with radial speeds of similar to 3-5 km/s, decaying as they travel through the SOL, while voids travel inward toward the core. Profiles of normalized fluctuations feature levels of 10% inside LCFS to similar to 150% at the LCFS and SOL. Once properly normalized, the intermittency in NSTX falls in similar electrostatic instability regimes as seen in other devices. The L-H transition causes a drop in the intermittent filaments velocity, amplitude and number in the SOL, resulting in reduced outward transport away from the edge and a less dense SOL. (C) 2014 AIP Publishing LLC. C1 [Boedo, J. A.; Rudakov, D. L.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Myra, J. R.; D'Ippolito, D. A.] Lodestar Res Corp, Boulder, CO 80301 USA. [Zweben, S.; Maingi, R.; Maqueda, R. J.; Bell, R.; Kugel, H.; Leblanc, B.; Roquemore, L. A.; NSTX Team] Princeton Univ, Princeton, NJ 08543 USA. [Soukhanovskii, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Ahn, J. W.; Canik, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Crocker, N.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. RP Boedo, JA (reprint author), Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM jboedo@ucsd.edu OI Canik, John/0000-0001-6934-6681 FU U.S. Department of Energy [DE-FG02-07ER54917, DE-AC02-09CH11466, DE-AC52-07NA27344, DE-AC05-00OR22725, DE-FG02-08ER54984] FX This work was supported in part by the U.S. Department of Energy under DE-FG02-07ER54917, DE-AC02-09CH11466, DE-AC52-07NA27344, DE-AC05-00OR22725, and DE-FG02-08ER54984. NR 97 TC 13 Z9 13 U1 2 U2 23 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042309 DI 10.1063/1.4873390 PG 12 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900032 ER PT J AU Chapman, T Brunner, S Banks, JW Berger, RL Cohen, BI Williams, EA AF Chapman, T. Brunner, S. Banks, J. W. Berger, R. L. Cohen, B. I. Williams, E. A. TI New insights into the decay of ion waves to turbulence, ion heating, and soliton generation SO PHYSICS OF PLASMAS LA English DT Article ID STIMULATED BRILLOUIN-SCATTERING; NONLINEAR PLASMA-OSCILLATIONS; DE-VRIES EQUATION; ACOUSTIC-WAVES; FREQUENCY-SHIFT; SOUND-WAVES; LASER-BEAM; SATURATION; ELECTRON; INSTABILITIES AB The decay of a single-frequency, propagating ion acoustic wave (IAW) via two-ion wave decay to a continuum of IAW modes is found to result in a highly turbulent plasma, ion soliton production, and rapid ion heating. Instability growth rates, thresholds, and sensitivities to plasma conditions are studied via fully kinetic Vlasov simulations. The decay rate of IAWs is found to scale linearly with the fundamental IAW potential amplitude phi(1) for ZT(e)/T-i less than or similar to 20, beyond which the instability is shown to scale with a higher power of phi(1), where Z is the ion charge number and T-e (T-i) is the electron (ion) thermal temperature. The threshold for instability is found to be smaller by an order of magnitude than linear theory estimates. Achieving a better understanding of the saturation of stimulated Brillouin scatter levels observed in laser-plasma interaction experiments is part of the motivation for this study. (C) 2014 AIP Publishing LLC. C1 [Chapman, T.; Banks, J. W.; Berger, R. L.; Cohen, B. I.; Williams, E. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Brunner, S.] Ecole Polytech Fed Lausanne, Assoc EURATOM Confederat Suisse, Ctr Rech Phys Plasmas, CRPP PPB, CH-1015 Lausanne, Switzerland. RP Chapman, T (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM chapman29@llnl.gov RI Banks, Jeffrey/A-9718-2012; Brunner, Stephan/B-6200-2009 OI Brunner, Stephan/0000-0001-7588-7476 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Research and Development Program at LLNL [12-ERD-061] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 and funded by the Laboratory Research and Development Program at LLNL under project tracking code 12-ERD-061. NR 43 TC 6 Z9 6 U1 2 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042107 DI 10.1063/1.4870090 PG 13 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900011 ER PT J AU Chen, H Fiksel, G Barnak, D Chang, PY Heeter, RF Link, A Meyerhofer, DD AF Chen, Hui Fiksel, G. Barnak, D. Chang, P. -Y. Heeter, R. F. Link, A. Meyerhofer, D. D. TI Magnetic collimation of relativistic positrons and electrons from high intensity laser-matter interactions SO PHYSICS OF PLASMAS LA English DT Article ID PARTICLE-ACCELERATION; SHOCKS; PLASMAS; DRIVEN; TECHNOLOGY; RAYS AB Collimation of positrons produced by laser-solid interactions has been observed using an externally applied axial magnetic field. The collimation leads to a narrow divergence positron beam, with an equivalent full width at half maximum beam divergence angle of 4 degrees vs the un-collimated divergence of about 20 degrees. A fraction of the laser-produced relativistic electrons with energies close to those of the positrons is collimated, so the charge imbalance ratio (n(e-)/n(e+)) in the co-propagating collimated electron-positron jet is reduced from similar to 100 (no collimation) to similar to 2.5 (with collimation). The positron density in the collimated beam increased from 5 x 10(7) cm(-3) to 1.9 x 10(9) cm(-3), measured at the 0.6 m from the source. This is a significant step towards the grand challenge of making a charge neutral electron-positron pair plasma jet in the laboratory. (C) 2014 AIP Publishing LLC. C1 [Chen, Hui; Heeter, R. F.; Link, A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Fiksel, G.; Barnak, D.; Chang, P. -Y.; Meyerhofer, D. D.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Chen, H (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI Chang, Po-Yu/L-5745-2016 FU U.S. DOE by LLNL [DE-AC52-07NA27344]; LDRD [12-ERD-062] FX We gratefully acknowledge the support of the Omega EP facility during these Laboratory Basic Science experiments. We thank Bob Cauble, Henry Shaw, and Bill Goldstein for encouragement and support, and D. D. Ryutov for fruitful discussions. This work was performed under the auspices of the U.S. DOE by LLNL under Contract No. DE-AC52-07NA27344, and funded by the LDRD (12-ERD-062) program. NR 33 TC 17 Z9 17 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 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 040703 DI 10.1063/1.4873711 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900003 ER PT J AU Daligault, J AF Daligault, Jerome TI Landau damping and the onset of particle trapping in quantum plasmas SO PHYSICS OF PLASMAS LA English DT Article AB Using analytical theory and simulations, we assess the impact of quantum effects on non-linear wave-particle interactions in quantum plasmas. We more specifically focus on the resonant interaction between Langmuir waves and electrons, which, in classical plasmas, lead to particle trapping. Two regimes are identified depending on the difference between the time scale of oscillation t(B)(k) = root m/eEk of a trapped electron and the quantum time scale t(q)(k) = 2m/(h) over bark(2) related to recoil effect, where E and k are the wave amplitude and wave vector. In the classical-like regime, t(B)(k) < t(q)(k), resonant electrons are trapped in the wave troughs and greatly affect the evolution of the system long before the wave has had time to Landau damp by a large amount according to linear theory. In the quantum regime, t(B)(k) > t(q)(k), particle trapping is hampered by the finite recoil imparted to resonant electrons in their interactions with plasmons. (C) 2014 AIP Publishing LLC. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Daligault, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. NR 18 TC 4 Z9 4 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 040701 DI 10.1063/1.4873378 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900001 ER PT J AU Dennis, GR Hudson, SR Dewar, RL Hole, MJ AF Dennis, G. R. Hudson, S. R. Dewar, R. L. Hole, M. J. TI Multi-region relaxed magnetohydrodynamics with flow SO PHYSICS OF PLASMAS LA English DT Article ID PLASMA-VACUUM SYSTEMS; PELLET INJECTION; RELAXATION; EQUILIBRIA; PRINCIPLES AB We present an extension of the multi-region relaxed magnetohydrodynamics (MRxMHD) equilibrium model that includes plasma flow. This new model is a generalization of Woltjer's model of relaxed magnetohydrodynamics equilibria with flow. We prove that as the number of plasma regions becomes infinite, our extension of MRxMHD reduces to ideal MHD with flow. We also prove that some solutions to MRxMHD with flow are not time-independent in the laboratory frame, and instead have 3D structure which rotates in the toroidal direction with fixed angular velocity. This capability gives MRxMHD potential application to describing rotating 3D MHD structures such as "snakes" and long-lived modes. (C) 2014 AIP Publishing LLC. C1 [Dennis, G. R.; Dewar, R. L.; Hole, M. J.] Australian Natl Univ, Res Sch Phys & Engn, Canberra, ACT 0200, Australia. [Hudson, S. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Dennis, GR (reprint author), Australian Natl Univ, Res Sch Phys & Engn, GPO Box 4, Canberra, ACT 0200, Australia. EM graham.dennis@anu.edu.au RI Hudson, Stuart/H-7186-2013; OI Hudson, Stuart/0000-0003-1530-2733; Dewar, Robert/0000-0002-9518-7087 FU U.S. Department of Energy; Australian Research Council [DP0452728, FT0991899, DP110102881] FX The authors gratefully acknowledge support of the U.S. Department of Energy and the Australian Research Council, through Grants Nos. DP0452728, FT0991899, and DP110102881. NR 30 TC 5 Z9 5 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042501 DI 10.1063/1.4870008 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900033 ER PT J AU Farmer, WA AF Farmer, W. A. TI Ballooning modes localized near the null point of a divertor SO PHYSICS OF PLASMAS LA English DT Article ID SNOWFLAKE DIVERTOR; PLASMA AB The stability of ballooning modes localized to the null point in both the standard and snowflake divertors is considered. Ideal magnetohydrodynamics is used. A series expansion of the flux function is performed in the vicinity of the null point with the lowest, non-vanishing term retained for each divertor configuration. The energy principle is used with a trial function to determine a sufficient instability threshold. It is shown that this threshold depends on the orientation of the flux surfaces with respect to the major radius with a critical angle appearing due to the convergence of the field lines away from the null point. When the angle the major radius forms with respect to the flux surfaces exceeds this critical angle, the system is stabilized. Further, the scaling of the instability threshold with the aspect ratio and the ratio of the scrape-off-layer width to the major radius is shown. It is concluded that ballooning modes are not a likely candidate for driving convection in the vicinity of the null for parameters relevant to existing machines. However, the results place a lower bound on the width of the heat flux in the private flux region. To explain convective mixing in the vicinity of the null point, new consideration should be given to an axisymmetric mixing mode [W. A. Farmer and D. D. Ryutov, Phys. Plasmas 20, 092117 (2013)] as a possible candidate to explain current experimental results. (C) 2014 AIP Publishing LLC. C1 [Farmer, W. A.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Farmer, W. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Farmer, WA (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The author is grateful to Dr. D. D. Ryutov for many helpful discussions regarding the material and for suggestions that have improved the content of this manuscript. 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 28 TC 3 Z9 3 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042114 DI 10.1063/1.4871393 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900018 ER PT J AU Fu, XR Cowee, MM Liu, K Gary, SP Winske, D AF Fu, X. R. Cowee, M. M. Liu, K. Gary, S. Peter Winske, D. TI Particle-in-cell simulations of velocity scattering of an anisotropic electron beam by electrostatic and electromagnetic instabilities SO PHYSICS OF PLASMAS LA English DT Article ID NONLINEAR-INTERACTION; COMPETING PROCESSES; OBLIQUE WHISTLER; EARTHS FORESHOCK; PLASMA; MAGNETOSPHERE; WAVES AB The velocity space scattering of an anisotropic electron beam (T-perpendicular to b/T-parallel to b > 1) flowing along a background magnetic field B-0 through a cold plasma is investigated using both linear theory and 2D particle-in-cell simulations. Here, perpendicular to and parallel to represent the directions perpendicular and parallel to B-0, respectively. In this scenario, we find that two primary instabilities contribute to the scattering in electron pitch angle: an electrostatic electron beam instability and a predominantly parallel-propagating electromagnetic whistler anisotropy instability. Our results show that at relative beam densities n(b)/n(e) <= 0.05 and beam temperature anisotropies T-b perpendicular to/T-b parallel to <= 25, the electrostatic beam instability grows much faster than the whistler instabilities for a reasonably fast hot beam. The enhanced fluctuating fields from the beam instability scatter the beam electrons, slowing their average speed and increasing their parallel temperature, thereby increasing their pitch angles. In an inhomogeneous magnetic field, such as the geomagnetic field, this could result in beam electrons scattered out of the loss cone. After saturation of the electrostatic instability, the parallel-propagating whistler anisotropy instability shows appreciable growth, provided that the beam density and late-time anisotropy are sufficiently large. Although the whistler anisotropy instability acts to pitch-angle scatter the electrons, reducing perpendicular energy in favor of parallel energy, these changes are weak compared to the pitch-angle increases resulting from the deceleration of the beam due to the electrostatic instability. (C) 2014 AIP Publishing LLC. C1 [Fu, X. R.; Cowee, M. M.; Winske, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Liu, K.] Auburn Univ, Auburn, AL 36849 USA. [Gary, S. Peter] Space Sci Inst, Boulder, CO 80301 USA. RP Fu, XR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM xrfu@lanl.gov RI Fu, Xiangrong/C-7895-2016 OI Fu, Xiangrong/0000-0002-4305-6624 FU U.S. Department of Energy; Los Alamos National Laboratory by the Defense Threat Reduction Agency [IAA10-027-1299, DTRA10027-6760]; Auburn University under NASA [NNX13AD62G] FX This work was performed under the auspices of the U.S. Department of Energy. It was primarily supported at Los Alamos National Laboratory by the Defense Threat Reduction Agency under Contract Nos. IAA10-027-1299 and DTRA10027-6760 and at Auburn University under NASA Grant No. NNX13AD62G. NR 27 TC 0 Z9 0 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042108 DI 10.1063/1.4870632 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900012 ER PT J AU Gamboa, EJ Drake, RP Falk, K Keiter, PA Montgomery, DS Benage, JF Trantham, MR AF Gamboa, E. J. Drake, R. P. Falk, K. Keiter, P. A. Montgomery, D. S. Benage, J. F. Trantham, M. R. TI Simultaneous measurements of several state variables in shocked carbon by imaging x-ray scattering SO PHYSICS OF PLASMAS LA English DT Article ID SUPERNOVA HYDRODYNAMICS; LASER; SIMULATION; ELECTRONS; PLASMAS; OMEGA; CODE AB We apply the novel experimental technique of imaging x-ray Thomson scattering to measure the spatial profiles of the temperature, ionization state, relative material density, and the shock speed in a high-energy density system. A blast wave driven in a low-density foam is probed with 908 scattering of 7.8 keV helium-like nickel x-rays, which are spectrally dispersed and resolved in one spatial dimension by a doubly curved crystal. The inferred properties of the shock are shown to be self-consistent with 1D analytical estimates. These high-resolution measurements enable a direct comparison of the observed temperature with the results from hydrodynamic simulations. We find good agreement with the simulations for the temperature at the shock front but discrepancies in the modeling of the spatial temperature profile and shock speed. These results indicate the challenges in modeling the shock dynamics of structured materials like foams, commonly used in many high-energy density and laboratory astrophysics experiments. (C) 2014 AIP Publishing LLC. C1 [Gamboa, E. J.; Drake, R. P.; Keiter, P. A.; Trantham, M. R.] Univ Michigan, Ann Arbor, MI 48109 USA. [Falk, K.; Montgomery, D. S.; Benage, J. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gamboa, EJ (reprint author), Univ Michigan, Ann Arbor, MI 48109 USA. EM eliseo@umich.edu RI Drake, R Paul/I-9218-2012; Falk, Katerina/D-2369-2017 OI Drake, R Paul/0000-0002-5450-9844; Falk, Katerina/0000-0001-5975-776X FU Predictive Sciences Academic Alliances Program in NNSA-ASC [DEFC52-08NA28616]; NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas [DE-NA0001840]; National Laser User Facility Program [DE-NA0000850] FX The authors acknowledge the contributions of J. A. Delettrez, T. S. Sedillo, S. C. Evans, R. S. Gillespie, S. R. Klein, and the staff at the Omega Laser Facility. This work was funded by the Predictive Sciences Academic Alliances Program in NNSA-ASC via Grant No. DEFC52-08NA28616, by the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, Grant No. DE-NA0001840, and by the National Laser User Facility Program, Grant No. DE-NA0000850. NR 45 TC 6 Z9 6 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 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042701 DI 10.1063/1.4869241 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900041 ER PT J AU Ghantous, K Gorelenkov, NN Berk, HL Heidbrink, WW Van Zeeland, MA AF Ghantous, K. Gorelenkov, N. N. Berk, H. L. Heidbrink, W. W. Van Zeeland, M. A. TI 1.5D quasilinear model and its application on beams interacting with Alfven eigenmodes in DIII-D (vol 19, 092511, 2012) SO PHYSICS OF PLASMAS LA English DT Correction C1 [Ghantous, K.; Gorelenkov, N. N.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Berk, H. L.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. [Heidbrink, W. W.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Van Zeeland, M. A.] Gen Atom Co, San Diego, CA 92186 USA. RP Ghantous, K (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 1 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 049901 DI 10.1063/1.4870636 PG 1 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900091 ER PT J AU Intrator, TP Dorf, L Sun, X Feng, Y Sears, J Weber, T AF Intrator, T. P. Dorf, L. Sun, X. Feng, Y. Sears, J. Weber, T. TI Laboratory observation of magnetic field growth driven by shear flow SO PHYSICS OF PLASMAS LA English DT Article ID RECONNECTION; INSTABILITY; DEVICE AB Two magnetic flux ropes that collide and bounce have been characterized in the laboratory. We find screw pinch profiles that include ion flow vi, magnetic field B, current density J, and plasma pressure. The electron flow ve can be inferred, allowing the evaluation of the Hall J x B term in a two fluid magnetohydrodynamic Ohm's Law. Flux ropes that are initially cylindrical are mutually attracted and compress each other, which distorts the cylindrical symmetry. Magnetic field is created via the del x v(e) x B induction term in Ohm's Law where in-plane (perpendicular) shear of parallel flow (along the flux rope) is the dominant feature, along with some dissipation and magnetic reconnection. We predict and measure the growth of a quadrupole out-of-plane magnetic field delta B-z. This is a simple and coherent example of a shear flow driven dynamo. There is some similarity with two dimensional reconnection scenarios, which induce a current sheet and thus out-of-plane flow in the third dimension, despite the customary picture that considers flows only in the reconnection plane. These data illustrate a general and deterministic mechanism for large scale sheared flows to acquire smaller scale magnetic features, disordered structure, and possibly turbulence. (C) 2014 AIP Publishing LLC. C1 [Intrator, T. P.; Feng, Y.; Sears, J.; Weber, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Dorf, L.] Appl Mat Inc, Santa Clara, CA 95054 USA. [Sun, X.] Univ Sci & Technol China, Hefei 230026, Peoples R China. RP Intrator, TP (reprint author), Los Alamos Natl Lab, MS E526, Los Alamos, NM 87545 USA. EM intrator@lanl.gov RI Feng, Yan/H-3531-2011 FU Los Alamos National Laboratory, U.S. Department of Energy [W-7405-ENG-36]; NASA Geospace [NNHIOA044I]; Los Alamos Laboratory Directed Research and Development Program; Center for Magnetic Self Organization - National Science Foundation; Dept Energy, Office of Fusion Energy Sciences; Basic FX Supported by Los Alamos National Laboratory, U.S. Department of Energy Contract No. W-7405-ENG-36; NASA Geospace NNHIOA044I, Basic; Los Alamos Laboratory Directed Research and Development Program; Center for Magnetic Self Organization funded by National Science Foundation and Dept Energy, Office of Fusion Energy Sciences. NR 43 TC 2 Z9 2 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042109 DI 10.1063/1.4869335 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900013 ER PT J AU Krasheninnikova, NS Cobble, JA Murphy, TJ Tregillis, IL Bradley, PA Hakel, P Hsu, SC Kyrala, GA Obrey, KA Schmitt, MJ Baumgaertel, JA Batha, SH AF Krasheninnikova, Natalia S. Cobble, James A. Murphy, Thomas J. Tregillis, Ian L. Bradley, Paul A. Hakel, Peter Hsu, Scott C. Kyrala, George A. Obrey, Kimberly A. Schmitt, Mark J. Baumgaertel, Jessica A. Batha, Steven H. TI Designing symmetric polar direct drive implosions on the Omega laser facility SO PHYSICS OF PLASMAS LA English DT Article ID INERTIAL CONFINEMENT FUSION; NATIONAL-IGNITION-FACILITY AB Achieving symmetric capsule implosions with Polar Direct Drive [S. Skupsky et al., Phys. Plasmas 11, 2763 (2004); R. S. Craxton et al., Phys. Plasmas 12, 056304 (2005); F. J. Marshall et al., J. Phys. IV France 133, 153-157 (2006)] has been explored during recent Defect Induced Mix Experiment campaign on the Omega facility at the Laboratory for Laser Energetics. To minimize the implosion asymmetry due to laser drive, optimized laser cone powers, as well as improved beam pointings, were designed using 3D radiation-hydrodynamics code HYDRA [M. M. Marinak et al., Phys. Plasmas 3, 2070 (1996)]. Experimental back-lit radiographic and self-emission images revealed improved polar symmetry and increased neutron yield which were in good agreement with 2D HYDRA simulations. In particular, by reducing the energy in Omega's 21.4 degrees polar rings by 16.75%, while increasing the energy in the 58.9 degrees equatorial rings by 8.25% in such a way as to keep the overall energy to the target at 16 kJ, the second Legendre mode (P-2) was reduced by a factor of 2, to less than 4% at bang time. At the same time the neutron yield increased by 62%. The polar symmetry was also improved relative to nominal DIME settings by a more radical repointing of OMEGA's 42.0 degrees and 58.9 degrees degree beams, to compensate for oblique incidence and reduced absorption at the equator, resulting in virtually no P2 around bang time and 33% more yield. (C) 2014 AIP Publishing LLC. C1 [Krasheninnikova, Natalia S.; Cobble, James A.; Murphy, Thomas J.; Tregillis, Ian L.; Bradley, Paul A.; Hakel, Peter; Hsu, Scott C.; Kyrala, George A.; Obrey, Kimberly A.; Schmitt, Mark J.; Baumgaertel, Jessica A.; Batha, Steven H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Krasheninnikova, NS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Murphy, Thomas/F-3101-2014; OI Murphy, Thomas/0000-0002-6137-9873; Hsu, Scott/0000-0002-6737-4934; Hakel, Peter/0000-0002-7936-4231; Schmitt, Mark/0000-0002-0197-9180; Bradley, Paul/0000-0001-6229-6677 FU US DOE/NNSA [DE-AC52-06NA25396] FX This research was supported by US DOE/NNSA, performed at LANL, operated by LANS LLC under contract DE-AC52-06NA25396. The authors acknowledge very productive discussion with Steve Craxton and Patrick McKenty of LLE on laser pointing symmetry. The authors are extremely grateful to Marty Marinak and the rest of the HYDRA team for making their code available to us to perform this work. We also would like to express our gratitude to Larry Suter and Ines Heinz for facilitating computational access to HYDRA. NR 24 TC 7 Z9 7 U1 0 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042703 DI 10.1063/1.4870756 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900043 ER PT J AU Kritcher, AL Town, R Bradley, D Clark, D Spears, B Jones, O Haan, S Springer, PT Lindl, J Scott, RHH Callahan, D Edwards, MJ Landen, OL AF Kritcher, A. L. Town, R. Bradley, D. Clark, D. Spears, B. Jones, O. Haan, S. Springer, P. T. Lindl, J. Scott, R. H. H. Callahan, D. Edwards, M. J. Landen, O. L. TI Metrics for long wavelength asymmetries in inertial confinement fusion implosions on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article AB We investigate yield degradation due to applied low mode P2 and P4 asymmetries in layered inertial confinement fusion implosions. This study has been performed with a large database of >600 2D simulations. We show that low mode radiation induced drive asymmetries can result in significant deviation between the core hot spot shape and the fuel rho R shape at peak compression. In addition, we show that significant residual kinetic energy at peak compression can be induced by these low mode asymmetries. We have developed a metric, which is a function of the hot spot shape, fuel rho R shape, and residual kinetic energy at peak compression, that is well correlated to yield degradation due to low mode shape perturbations. It is shown that the rho R shape and residual kinetic energy cannot, in general, be recovered by inducing counter asymmetries to make the hot core emission symmetric. In addition, we show that the yield degradation due to low mode asymmetries is well correlated to measurements of time dependent shape throughout the entire implosion, including early time shock symmetry and inflight fuel symmetry. (C) 2014 AIP Publishing LLC. C1 [Kritcher, A. L.; Town, R.; Bradley, D.; Clark, D.; Spears, B.; Jones, O.; Haan, S.; Springer, P. T.; Lindl, J.; Callahan, D.; Edwards, M. J.; Landen, O. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Scott, R. H. H.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. RP Kritcher, AL (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 23 TC 37 Z9 38 U1 1 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042708 DI 10.1063/1.4871718 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900048 ER PT J AU Loomis, E Doss, F Flippo, K Fincke, J AF Loomis, E. Doss, F. Flippo, K. Fincke, J. TI Measurements of continuous mix evolution in a high energy density shear flow SO PHYSICS OF PLASMAS LA English DT Article ID RAY; GROWTH; REGION; LAYER AB We report on the novel integration of streaked radiography into a counter-flowing High Energy Density (HED) shear environment that continually measures a growing mix layer of Al separating two low-density CH foams. Measurements of the mix width allow us to validate compressible turbulence models and with streaked imaging, make this possible with a minimal number of experiments on large laser facilities. In this paper, we describe how the HED counter-flowing shear layer is created and diagnosed with streaked radiography. We then compare the streaked data to previous two-dimensional, single frame radiography and radiation hydrodynamic simulations of the experiment with inline compressible turbulent mix models. (C) 2014 AIP Publishing LLC. C1 [Loomis, E.; Doss, F.; Flippo, K.; Fincke, J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Loomis, E (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM loomis@lanl.gov RI Flippo, Kirk/C-6872-2009 OI Flippo, Kirk/0000-0002-4752-5141 FU U.S. Dept of Energy's National Nuclear Security Administration (LANL) FX This work was performed under the auspices of the U.S. Dept of Energy's National Nuclear Security Administration (LANL Science Campaign program managers Kim Scott and Steve Batha). The authors would like to thank the Laboratory for Laser Energetics, Los Alamos National Laboratory target fabrication (MST-7) specifically, Derek Schmidt, Jim Williams, Deanna Cappelli, Gerald Rivera, Chris Hamilton, and Kim Obrey, General Atomics for providing target components, and Tom Sedillo of LANL for providing diagnostic support. We would also like to thank John Kline at LANL for helpful discussions regarding NIF experimental operations and design. NR 25 TC 5 Z9 5 U1 1 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 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 044508 DI 10.1063/1.4874320 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900090 ER PT J AU Spears, BK Edwards, MJ Hatchett, S Kilkenny, J Knauer, J Kritcher, A Lindl, J Munro, D Patel, P Robey, HF Town, RPJ AF Spears, Brian K. Edwards, M. J. Hatchett, S. Kilkenny, J. Knauer, J. Kritcher, A. Lindl, J. Munro, D. Patel, P. Robey, H. F. Town, R. P. J. TI Mode 1 drive asymmetry in inertial confinement fusion implosions on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article ID TARGETS; SPECTRA; BUBBLE; ENERGY AB Mode 1 radiation drive asymmetry (pole-to-pole imbalance) at significant levels can have a large impact on inertial confinement fusion implosions at the National Ignition Facility (NIF). This asymmetry distorts the cold confining shell and drives a high-speed jet through the hot spot. The perturbed hot spot shows increased residual kinetic energy and reduced internal energy, and it achieves reduced pressure and neutron yield. The altered implosion physics manifests itself in observable diagnostic signatures, especially the neutron spectrum which can be used to measure the neutron-weighted flow velocity, apparent ion temperature, and neutron downscattering. Numerical simulations of implosions with mode 1 asymmetry show that the resultant simulated diagnostic signatures are moved toward the values observed in many NIF experiments. The diagnostic output can also be used to build a set of integrated implosion performance metrics. The metrics indicate that P-1 has a significant impact on implosion performance and must be carefully controlled in NIF implosions. (C) 2014 AIP Publishing LLC. C1 [Spears, Brian K.; Edwards, M. J.; Hatchett, S.; Kritcher, A.; Lindl, J.; Munro, D.; Patel, P.; Robey, H. F.; Town, R. P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kilkenny, J.] Gen Atom Co, San Diego, CA 92186 USA. [Knauer, J.] Laser Energet Lab, New York, NY 14623 USA. RP Spears, BK (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM spears9@llnl.gov RI Patel, Pravesh/E-1400-2011 FU LLNL [DE-AC52-07NA27344, LLNL-JRNL-647816] FX This work was prepared by LLNL under Contract No. DE-AC52-07NA27344; LLNL-JRNL-647816. NR 34 TC 16 Z9 16 U1 2 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 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042702 DI 10.1063/1.4870390 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900042 ER PT J AU Wang, ZR Park, JK Liu, YQ Logan, N Kim, K Menard, JE AF Wang, Zhirui Park, Jong-Kyu Liu, Yueqiang Logan, Nikolas Kim, Kimin Menard, Jonathan E. TI Theory comparison and numerical benchmarking on neoclassical toroidal viscosity torque SO PHYSICS OF PLASMAS LA English DT Article ID MODES AB Systematic comparison and numerical benchmarking have been successfully carried out among three different approaches of neoclassical toroidal viscosity (NTV) theory and the corresponding codes: IPEC-PENT is developed based on the combined NTV theory but without geometric simplifications [Park et al., Phys. Rev. Lett. 102, 065002 (2009)]; MARS-Q includes smoothly connected NTV formula [Shaing et al., Nucl. Fusion 50, 025022 (2010)] based on Shaing's analytic formulation in various collisionality regimes; MARS-K, originally computing the drift kinetic energy, is upgraded to compute the NTV torque based on the equivalence between drift kinetic energy and NTV torque [J.-K. Park, Phys. Plasma 18, 110702 (2011)]. The derivation and numerical results both indicate that the imaginary part of drift kinetic energy computed by MARS-K is equivalent to the NTV torque in IPEC-PENT. In the benchmark of precession resonance between MARS-Q and MARS-K/IPEC-PENT, the agreement and correlation between the connected NTV formula and the combined NTV theory in different collisionality regimes are shown for the first time. Additionally, both IPEC-PENT and MARS-K indicate the importance of the bounce harmonic resonance which can greatly enhance the NTV torque when E x B drift frequency reaches the bounce resonance condition. (C) 2014 AIP Publishing LLC. C1 [Wang, Zhirui; Park, Jong-Kyu; Logan, Nikolas; Kim, Kimin; Menard, Jonathan E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Liu, Yueqiang] Culham Sci Ctr, Euratom CCFE Assoc, Abingdon OX14 3DB, Oxon, England. RP Wang, ZR (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. OI Menard, Jonathan/0000-0003-1292-3286 FU DOE [DE-AC02-09CH11466]; RCUK Energy Programme [EP/I501045]; European Communities FX Z. R. Wang thanks Dr. Shichong Guo and Dr. John W. Berkery for very useful discussions and many helpful suggestions improving the manuscript. Y. Q. Liu would like to thank Dr. Ker-Chung Shaing and Dr. Youwen Sun for very helpful discussion on the connected NTV formula. The work was supported by DOE Contract No. DE-AC02-09CH11466(PPPL). This work was also part-funded by the RCUK Energy Programme under Grant No. EP/I501045 and the European Communities under the contract of Association between EURATOM and CCFE. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 35 TC 9 Z9 9 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2014 VL 21 IS 4 AR 042502 DI 10.1063/1.4869251 PG 10 WC Physics, Fluids & Plasmas SC Physics GA AH5FM UT WOS:000336153900034 ER PT J AU Sun, Y Gu, LH Dickinson, RE Pallardy, SG Baker, J Cao, YH DaMatta, FM Dong, XJ Ellsworth, D Van Goethem, D Jensen, AM Law, BE Loos, R Martins, SCV Norby, RJ Warren, J Weston, D Winter, K AF Sun, Ying Gu, Lianhong Dickinson, Robert E. Pallardy, Stephen G. Baker, John Cao, Yonghui DaMatta, Fabio Murilo Dong, Xuejun Ellsworth, David Van Goethem, Davina Jensen, Anna M. Law, Beverly E. Loos, Rodolfo Vitor Martins, Samuel C. Norby, Richard J. Warren, Jeffrey Weston, David Winter, Klaus TI Asymmetrical effects of mesophyll conductance on fundamental photosynthetic parameters and their relationships estimated from leaf gas exchange measurements SO PLANT CELL AND ENVIRONMENT LA English DT Article DE parameter estimation; carbon cycle model; leaf photosynthesis; A/Ci curves; LeafWeb ID CARBON-ISOTOPE DISCRIMINATION; CO2 TRANSFER CONDUCTANCE; DIOXIDE RESPONSE CURVES; INTERNAL CONDUCTANCE; DIFFUSION CONDUCTANCE; RUBP CARBOXYLATION; PINUS-SYLVESTRIS; FAGUS-SYLVATICA; SEASONAL-CHANGE; SHADE LEAVES AB Worldwide measurements of nearly 130 C-3 species covering all major plant functional types are analysed in conjunction with model simulations to determine the effects of mesophyll conductance (g(m)) on photosynthetic parameters and their relationships estimated from A/C-i curves. We find that an assumption of infinite g(m) results in up to 75% underestimation for maximum carboxylation rate V-cmax, 60% for maximum electron transport rate J(max), and 40% for triose phosphate utilization rate T-u. V-cmax is most sensitive, J(max) is less sensitive, and T-u has the least sensitivity to the variation of g(m). Because of this asymmetrical effect of g(m), the ratios of J(max) to V-cmax, T-u to V-cmax and T-u to J(max) are all overestimated. An infinite g(m) assumption also limits the freedom of variation of estimated parameters and artificially constrains parameter relationships to stronger shapes. These findings suggest the importance of quantifying g(m) for understanding in situ photosynthetic machinery functioning. We show that a nonzero resistance to CO2 movement in chloroplasts has small effects on estimated parameters. A non-linear function with g(m) as input is developed to convert the parameters estimated under an assumption of infinite g(m) to proper values. This function will facilitate g(m) representation in global carbon cycle models. C1 [Sun, Ying; Dickinson, Robert E.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. [Gu, Lianhong; Jensen, Anna M.; Norby, Richard J.; Warren, Jeffrey] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Pallardy, Stephen G.] Univ Missouri, Dept Forestry, Columbia, MO 65211 USA. [Baker, John] Univ Minnesota, USDA Soil & Water Management Unit, St Paul, MN 55108 USA. [Baker, John] Univ Minnesota, Dept Soil Water & Climate, St Paul, MN 55108 USA. [Cao, Yonghui] Chinese Acad Forestry, Res Inst Subtrop Forestry, Fuyang, Zhejiang, Peoples R China. [DaMatta, Fabio Murilo; Vitor Martins, Samuel C.] Univ Fed Vicosa, Dept Biol Vegetal, BR-36570000 Vicosa, MG, Brazil. [Dong, Xuejun] N Dakota State Univ, Cent Grasslands Res Extens Ctr, Streeter, ND 58483 USA. [Ellsworth, David] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 2751, Australia. [Van Goethem, Davina] Univ Antwerp, Dept Biosci Engn, B-2020 Antwerp, Belgium. [Law, Beverly E.] Oregon State Univ, Coll Forestry, Corvallis, OR 97331 USA. [Loos, Rodolfo] Fibria Celulose SA, Technol Ctr, BR-29197900 Aracruz, Brazil. [Weston, David] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Winter, Klaus] Smithsonian Trop Res Inst, Balboa, Ancon, Panama. RP Gu, LH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM lianhong-gu@ornl.gov RI Warren, Jeffrey/B-9375-2012; Norby, Richard/C-1773-2012; Sun, Ying/G-6611-2016; Gu, Lianhong/H-8241-2014; Law, Beverly/G-3882-2010; OI Warren, Jeffrey/0000-0002-0680-4697; Norby, Richard/0000-0002-0238-9828; Gu, Lianhong/0000-0001-5756-8738; Law, Beverly/0000-0002-1605-1203; Ellsworth, David/0000-0002-9699-2272; DaMatta, Fabio/0000-0002-9637-8475 FU Department of Energy [DE-FG02-01ER63198]; U.S. Department of Energy, Office of Science, Biological and Environmental Research Program, Climate and Environmental Sciences Division; ORNL's LDRD programme; UT-Battelle, LLC, for the U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy [DE-FG02-03ER63683] FX We thank Dr. Tom Sharkey and two anonymous reviewers for providing insightful suggestions that led to substantial improvements of the paper. This study was carried out at multiple institutions. The support for research at UT - Austin came from the Department of Energy (DE-FG02-01ER63198). The support for research at ORNL came from the U.S. Department of Energy, Office of Science, Biological and Environmental Research Program, Climate and Environmental Sciences Division. The ORNL's LDRD programme also partially supported the research. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. U.S. Department of Energy support for the University of Missouri (Grant DE-FG02-03ER63683) is gratefully acknowledged. NR 59 TC 23 Z9 23 U1 5 U2 63 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0140-7791 EI 1365-3040 J9 PLANT CELL ENVIRON JI Plant Cell Environ. PD APR PY 2014 VL 37 IS 4 BP 978 EP 994 DI 10.1111/pce.12213 PG 17 WC Plant Sciences SC Plant Sciences GA AB9BV UT WOS:000332085000014 PM 24117476 ER PT J AU Blume, G Scott, T Pirog, M AF Blume, Grant Scott, Tyler Pirog, Maureen TI Empirical Innovations in Policy Analysis SO POLICY STUDIES JOURNAL LA English DT Article DE policy analysis; random assignment; administrative data; GIS; Big Data ID RANDOM ASSIGNMENT; TRENDS; IMPACT; ALTERNATIVES; PERFORMANCE; PROGRAM AB In this article we survey the field of policy analysis from two perspectives. First, we discuss recent arguments made for and against the use of random assignment in social experimentation and policy analysis. Second, we argue that data, not methods, are driving policy analysis innovation. We review the benefits and drawbacks of three types of dataadministrative data, spatial data, and Big Dataand discuss the role, or potential role, each plays in extant policy analysis. We end with a comment on what we believe are the future directions and areas of growth for the field of policy analysis in coming years. C1 [Blume, Grant; Scott, Tyler; Pirog, Maureen] Univ Washington, Evans Sch Publ Affairs, Seattle, WA 98195 USA. [Blume, Grant] US DOE, Inst Sci Educ, Washington, DC 20585 USA. [Pirog, Maureen] Indiana Univ, Sch Publ & Environm Affairs, Bloomington, IN 47405 USA. RP Blume, G (reprint author), Univ Washington, Evans Sch Publ Affairs, Seattle, WA 98195 USA. NR 62 TC 1 Z9 1 U1 5 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0190-292X EI 1541-0072 J9 POLICY STUD J JI Policy Stud. J. PD APR PY 2014 VL 42 SU 1 SI SI BP S33 EP S50 DI 10.1111/psj.12050 PG 18 WC Political Science; Public Administration SC Government & Law; Public Administration GA AH6TK UT WOS:000336263400003 ER PT J AU Iwashita, T Miyabayashi, K Bhardwaj, V Adachi, I Aihara, H Asner, DM Aushev, T Bakich, AM Bala, A Bhuyan, B Bonvicini, G Bozek, A Bracko, M Browder, TE Chang, MC Chen, A Cheon, BG Chilikin, K Chistov, R Cho, K Chobanova, V Choi, SK Choi, Y Cinabro, D Dalseno, J Danilov, M Dolezal, Z Drasal, Z Dutta, D Eidelman, S Esen, S Farhat, H Fast, JE Feindt, M Ferber, T Frey, A Gaur, V Gabyshev, N Ganguly, S Gillard, R Goh, YM Golob, B Haba, J Hara, T Hayasaka, K Hayashii, H Higuchi, T Horii, Y Hoshi, Y Hou, WS Hyun, HJ Iijima, T Ishikawa, A Itoh, R Iwasaki, Y Jaegle, I Julius, T Kah, DH Kang, JH Kato, E Kawasaki, T Kichimi, H Kiesling, C Kim, DY Kim, HJ Kim, HO Kim, JB Kim, JH Kim, MJ Kim, YJ Kinoshita, K Klucar, J Ko, BR Kodys, P Korpar, S Krizan, P Krokovny, P Kuhr, T Kumita, T Kuzmin, A Kwon, YJ Lange, JS Lee, SH Li, Y Libby, J Liu, C Liu, Y Lukin, P Matvienko, D Miyata, H Mizuk, R Moll, A Mori, T Nagasaka, Y Nakano, E Nakao, M Nakazawa, H Natkaniec, Z Nayak, M Ng, C Nisar, NK Nishida, S Nitoh, O Ogawa, S Okuno, S Pakhlova, G Panzenbock, E Park, H Park, HK Pedlar, TK Pestotnik, R Petric, M Piilonen, LE Ritter, M Rohrken, M Rostomyan, A Ryu, S Sahoo, H Saito, T Sakai, K Sakai, Y Sandilya, S Santel, D Santelj, L Sanuki, T Savinov, V Schneider, O Schnell, G Schwanda, C Semmler, D Senyo, K Seon, O Sevior, ME Shapkin, M Shen, CP Shibata, TA Shiu, JG Shwartz, B Sibidanov, A Simon, F Sohn, YS Sokolov, A Solovieva, E Stanic, S Staric, M Steder, M Sumiyoshi, T Tamponi, U Tanida, K Tatishvili, G Teramoto, Y Trabelsi, K Tsuboyama, T Uchida, M Uehara, S Unno, Y Uno, S Urquijo, P Vanhoefer, P Varner, G Varvell, KE Vorobyev, V Vossen, A Wagner, MN Wang, CH Wang, MZ Wang, P Wang, XL Watanabe, M Watanabe, Y Williams, KM Won, E Yabsley, BD Yamashita, Y Yashchenko, S Yook, Y Yuan, CZ Zhang, ZP Zhilich, V Zupanc, A AF Iwashita, T. Miyabayashi, K. Bhardwaj, V. Adachi, I. Aihara, H. Asner, D. M. Aushev, T. Bakich, A. M. Bala, A. Bhuyan, B. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Chang, M. -C. Chen, A. Cheon, B. G. Chilikin, K. Chistov, R. Cho, K. Chobanova, V. Choi, S. -K. Choi, Y. Cinabro, D. Dalseno, J. Danilov, M. Dolezal, Z. Drasal, Z. Dutta, D. Eidelman, S. Esen, S. Farhat, H. Fast, J. E. Feindt, M. Ferber, T. Frey, A. Gaur, V. Gabyshev, N. Ganguly, S. Gillard, R. Goh, Y. M. Golob, B. Haba, J. Hara, T. Hayasaka, K. Hayashii, H. Higuchi, T. Horii, Y. Hoshi, Y. Hou, W. -S. Hyun, H. J. Iijima, T. Ishikawa, A. Itoh, R. Iwasaki, Y. Jaegle, I. Julius, T. Kah, D. H. Kang, J. H. Kato, E. Kawasaki, T. Kichimi, H. Kiesling, C. Kim, D. Y. Kim, H. J. Kim, H. O. Kim, J. B. Kim, J. H. Kim, M. J. Kim, Y. J. Kinoshita, K. Klucar, J. Ko, B. R. Kodys, P. Korpar, S. Krizan, P. Krokovny, P. Kuhr, T. Kumita, T. Kuzmin, A. Kwon, Y. -J. Lange, J. S. Lee, S. -H. Li, Y. Libby, J. Liu, C. Liu, Y. Lukin, P. Matvienko, D. Miyata, H. Mizuk, R. Moll, A. Mori, T. Nagasaka, Y. Nakano, E. Nakao, M. Nakazawa, H. Natkaniec, Z. Nayak, M. Ng, C. Nisar, N. K. Nishida, S. Nitoh, O. Ogawa, S. Okuno, S. Pakhlova, G. Panzenboeck, E. Park, H. Park, H. K. Pedlar, T. K. Pestotnik, R. Petric, M. Piilonen, L. E. Ritter, M. Roehrken, M. Rostomyan, A. Ryu, S. Sahoo, H. Saito, T. Sakai, K. Sakai, Y. Sandilya, S. Santel, D. Santelj, L. Sanuki, T. Savinov, V. Schneider, O. Schnell, G. Schwanda, C. Semmler, D. Senyo, K. Seon, O. Sevior, M. E. Shapkin, M. Shen, C. P. Shibata, T. -A. Shiu, J. -G. Shwartz, B. Sibidanov, A. Simon, F. Sohn, Y. -S. Sokolov, A. Solovieva, E. Stanic, S. Staric, M. Steder, M. Sumiyoshi, T. Tamponi, U. Tanida, K. Tatishvili, G. Teramoto, Y. Trabelsi, K. Tsuboyama, T. Uchida, M. Uehara, S. Unno, Y. Uno, S. Urquijo, P. Vanhoefer, P. Varner, G. Varvell, K. E. Vorobyev, V. Vossen, A. Wagner, M. N. Wang, C. H. Wang, M. -Z. Wang, P. Wang, X. L. Watanabe, M. Watanabe, Y. Williams, K. M. Won, E. Yabsley, B. D. Yamashita, Y. Yashchenko, S. Yook, Y. Yuan, C. Z. Zhang, Z. P. Zhilich, V. Zupanc, A. CA Belle Collaboration TI Measurement of branching fractions for B -> J/psi eta K decays and search for a narrow resonance in the J/psi eta final state SO PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS LA English DT Article ID X(3872); CHARMONIUM; MECHANISM; DETECTOR; MESONS; KEKB AB We report an observation of the B-+/- -> J/psi eta K-+/- and B-0 -> J/psi eta K-S(0) decays using 772 x 10(6)B (B) over bar pairs collected at the gamma (4S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. We obtain the branching fractions B(B-+/- -> J/psi eta K-+/-) = (1.27 +/- 0.11 (stat.) +/- 0.11 ( syst.)) x 10(- 4) and B(B-0 -> J/psi eta K-S(0)) = ( 5.22 +/- 0.78 (stat.) +/- 0.49 (syst.)) x 10(-5). We search for a new narrow charmonium(- like) state X in the J/psi eta mass spectrum and find no significant excess. We set upper limits on the product of branching fractions, B(B-+/- -> XK +/-) B(X -> J/psi eta), at 3872 MeV c(-2) where a C-odd partner of X(3872) may exist, psi(4040) and psi(4160) assuming their known mass and width, and over a range from 3.8 to 4.8 GeV c(-2). The obtained upper limits at 90% confidence level for XC-odd(3872), psi(4040), and psi(4160) are 3.8 x 10(-6), 15.5 x 10(-6), and 7.4 x 10(-6), respectively. C1 [Iwashita, T.; Miyabayashi, K.; Bhardwaj, V.; Hayashii, H.; Panzenboeck, E.] Nara Womens Univ, Nara 6308506, Japan. [Adachi, I.; Haba, J.; Hara, T.; Itoh, R.; Iwasaki, Y.; Kichimi, H.; Nakao, M.; Nishida, S.; Sakai, K.; Sakai, Y.; Trabelsi, K.; Tsuboyama, T.; Uehara, S.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Aihara, H.; Ng, C.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Asner, D. M.; Fast, J. E.; Tatishvili, G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Aushev, T.; Chilikin, K.; Chistov, R.; Danilov, M.; Mizuk, R.; Pakhlova, G.; Solovieva, E.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Bakich, A. M.; Sibidanov, A.; Varvell, K. E.; Yabsley, B. D.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Bala, A.] Panjab Univ, Chandigarh 160014, India. [Bhuyan, B.; Dutta, D.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Bozek, A.; Natkaniec, Z.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Bracko, M.; Korpar, S.] Univ Maribor, SLO-2000 Maribor, Slovenia. [Bracko, M.; Golob, B.; Klucar, J.; Korpar, S.; Krizan, P.; Pestotnik, R.; Petric, M.; Santelj, L.; Staric, M.] Jozef Stefan Inst, Ljubljana 1000, Slovenia. [Browder, T. E.; Jaegle, I.; Sahoo, H.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Chang, M. -C.] Fu Jen Catholic Univ, Dept Phys, Taipei 24205, Taiwan. [Chen, A.; Nakazawa, H.] Natl Cent Univ, Chungli 32054, Taiwan. [Cheon, B. G.; Goh, Y. M.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Chobanova, V.; Dalseno, J.; Kiesling, C.; Moll, A.; Ritter, M.; Simon, F.; Vanhoefer, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Choi, S. -K.] Gyeongsang Natl Univ, Chinju 660701, South Korea. [Choi, Y.; Dalseno, J.; Moll, A.; Simon, F.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Danilov, M.; Mizuk, R.] Moscow Engn Phys Inst, Moscow 115409, Russia. [Dolezal, Z.; Drasal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, CR-12116 Prague, Czech Republic. [Eidelman, S.; Gabyshev, N.; Krokovny, P.; Kuzmin, A.; Lukin, P.; Matvienko, D.; Shwartz, B.; Vorobyev, V.; Zhilich, V.] Budker Inst Nucl Phys SB RAS, Novosibirsk 630090, Russia. [Eidelman, S.; Gabyshev, N.; Krokovny, P.; Kuzmin, A.; Lukin, P.; Matvienko, D.; Shwartz, B.; Vorobyev, V.; Zhilich, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Esen, S.; Kinoshita, K.; Liu, Y.; Santel, D.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Feindt, M.; Kuhr, T.; Roehrken, M.; Zupanc, A.] Karlsruhe Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Ferber, T.; Rostomyan, A.; Steder, M.; Yashchenko, S.] DESY, D-22607 Hamburg, Germany. [Frey, A.; Panzenboeck, E.] Univ Gottingen, Inst Phys 2, D-37073 Gottingen, Germany. [Gaur, V.; Nisar, N. K.; Sandilya, S.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Golob, B.; Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Hayasaka, K.; Horii, Y.; Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Higuchi, T.] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi 9858537, Japan. [Hou, W. -S.; Shiu, J. -G.; Wang, M. -Z.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Hyun, H. J.; Kah, D. H.; Kim, H. J.; Kim, H. O.; Kim, M. J.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Iijima, T.; Mori, T.; Seon, O.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Ishikawa, A.; Kato, E.; Saito, T.; Sanuki, T.] Tohoku Univ, Sendai, Miyagi 9808578, Japan. [Julius, T.; Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Kang, J. H.; Kwon, Y. -J.; Sohn, Y. -S.; Yook, Y.] Yonsei Univ, Seoul 120749, South Korea. [Kawasaki, T.; Miyata, H.; Watanabe, M.] Niigata Univ, Niigata 9502181, Japan. [Kim, D. Y.] Soongsil Univ, Seoul 156743, South Korea. [Kim, J. B.; Ko, B. R.; Lee, S. -H.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Kumita, T.; Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Lange, J. S.; Semmler, D.; Wagner, M. N.] Univ Giessen, D-35392 Giessen, Germany. [Li, Y.; Piilonen, L. E.; Wang, X. L.; Williams, K. M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Libby, J.; Nayak, M.] Indian Inst Technol Madras, Madras 600036, Tamil Nadu, India. [Liu, C.; Zhang, Z. P.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Nagasaka, Y.] Hiroshima Inst Technol, Hiroshima 7315193, Japan. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 5588585, Japan. [Nitoh, O.] Tokyo Univ Agr & Technol, Koganei, Tokyo 1848588, Japan. [Ogawa, S.] Toho Univ, Funabashi, Chiba 2748510, Japan. [Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. [Ryu, S.; Tanida, K.] Seoul Natl Univ, Seoul 151742, South Korea. [Savinov, V.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Schnell, G.] Univ Basque Country UPV EHU, Bilbao 48080, Spain. [Schnell, G.] Ikerbasque, Bilbao 48011, Spain. [Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Shapkin, M.; Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia. [Shen, C. P.] Beihang Univ, Beijing 100191, Peoples R China. [Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Stanic, S.] Univ Nova Gorica, Nova Gorica 5000, Slovenia. [Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Tamponi, U.] Univ Turin, I-10124 Turin, Italy. [Urquijo, P.] Univ Bonn, D-53115 Bonn, Germany. [Vossen, A.] Indiana Univ, Bloomington, IN 47408 USA. [Wang, C. H.] Natl United Univ, Miaoli 36003, Taiwan. [Wang, P.; Yuan, C. Z.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan. RP Iwashita, T (reprint author), Nara Womens Univ, Nara 6308506, Japan. EM iwashita@hepl.phys.nara-wu.ac.jp RI Ishikawa, Akimasa/G-6916-2012; Solovieva, Elena/B-2449-2014; Aihara, Hiroaki/F-3854-2010; Danilov, Mikhail/C-5380-2014; Mizuk, Roman/B-3751-2014; Krokovny, Pavel/G-4421-2016; Chilikin, Kirill/B-4402-2014; EPFL, Physics/O-6514-2016; Chistov, Ruslan/B-4893-2014; Pakhlova, Galina/C-5378-2014 OI Solovieva, Elena/0000-0002-5735-4059; Aihara, Hiroaki/0000-0002-1907-5964; Danilov, Mikhail/0000-0001-9227-5164; Krokovny, Pavel/0000-0002-1236-4667; Chilikin, Kirill/0000-0001-7620-2053; Chistov, Ruslan/0000-0003-1439-8390; Pakhlova, Galina/0000-0001-7518-3022 FU MEXT (Japan); JSPS (Japan); Nagoya's TLPRC (Japan); ARC (Australia); DIISR (Australia); FWF (Austria); NSFC (China); MSMT (Czechia); CZF (Germany); DFG (Germany); VS (Germany); DST (India); INFN (Italy); MEST (Korea); NRF (Korea); GSDC of KISTI (Korea); WCU (Korea); MNiSW (Poland); NCN (Poland); MES (Russia); RFAAE (Russia); ARRS (Slovenia); IKERBASQUE (Spain); UPV/EHU (Spain); SNSF (Switzerland); NSC (Taiwan); MOE (Taiwan); DOE (USA); NSF (USA); MEXT for Scientific Research on Innovative Areas 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); FWF (Austria); NSFC (China); MSMT (Czechia); CZF, DFG, and VS (Germany); DST (India); INFN (Italy); MEST, NRF, GSDC of KISTI, and WCU (Korea); MNiSW and NCN (Poland); MES and RFAAE (Russia); ARRS (Slovenia); IKERBASQUE and UPV/EHU (Spain); SNSF (Switzerland); NSC and MOE (Taiwan); and DOE and NSF (USA). This work is partly supported by Grant-in-Aid from MEXT for Scientific Research on Innovative Areas ("Elucidation of New Hadrons with a Variety of Flavors"). NR 39 TC 3 Z9 3 U1 0 U2 36 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 2050-3911 J9 PROG THEOR EXP PHYS JI Prog. Theor. Exp. Phys. PD APR PY 2014 IS 4 AR 043C01 DI 10.1093/ptep/ptu043 PG 11 WC Physics, Multidisciplinary; Physics, Particles & Fields SC Physics GA AH5CQ UT WOS:000336146500014 ER PT J AU Mukundan, V Yin, J Joseph, P Luo, J Shan, SY Zakharov, DN Zhong, CJ Malis, O AF Mukundan, Vineetha Yin, Jun Joseph, Pharrah Luo, Jin Shan, Shiyao Zakharov, Dmitri N. Zhong, Chuan-Jian Malis, Oana TI Nanoalloying and phase transformations during thermal treatment of physical mixtures of Pd and Cu nanoparticles SO SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS LA English DT Article DE x-ray diffraction; nanocatalysts; alloying; phase transformations ID OXYGEN REDUCTION ELECTROCATALYSTS; PALLADIUM CATALYSTS; X-RAY; ALLOY; CLUSTERS; COPPER; REACTIVITY; PARTICLES; OXIDATION; CARBON AB Nanoscale alloying and phase transformations in physical mixtures of Pd and Cu ultrafine nanoparticles are investigated in real time with in situ synchrotron-based x-ray diffraction complemented by ex situ high-resolution transmission electron microscopy. The combination of metal-support interaction and reactive/non-reactive environment was found to determine the thermal evolution and ultimate structure of this binary system. At 300 degrees C, the nanoparticles supported on silica and carbon black intermix to form a chemically ordered CsCl-type (B2) alloy phase. The B2 phase transforms into a disordered fcc alloy at higher temperature (> 450 degrees C). The alloy nanoparticles supported on silica and carbon black are homogeneous in volume, but evidence was found of Pd surface enrichment. In sharp contrast, when supported on alumina, the two metals segregated at 300 degrees C to produce almost pure fcc Cu and Pd phases. Upon further annealing of the mixture on alumina above 600 degrees C, the two metals interdiffused, forming two distinct disordered alloys of compositions 30% and 90% Pd. The annealing atmosphere also plays a major role in the structural evolution of these bimetallic nanoparticles. The nanoparticles annealed in forming gas are larger than the nanoparticles annealing in helium due to reduction of the surface oxides that promotes coalescence and sintering. C1 [Mukundan, Vineetha; Malis, Oana] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Yin, Jun; Joseph, Pharrah; Luo, Jin; Shan, Shiyao; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY USA. [Zakharov, Dmitri N.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Mukundan, V (reprint author), Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. EM omalis@purdue.edu RI Zakharov, Dmitri/F-4493-2014; Zhong, Chuan-Jian/D-3394-2013 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; NSF [CBET 0709113, CMMI 1100736] FX The synchrotron x-ray experiment was performed on beamline X20C at the NSLS, BNL. Use of the NSLS BNL and the Center for Functional Nanomaterials facility at BNL was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The authors are grateful to Jean Jordan-Sweet from IBM for help with the x-ray experiment. The work is supported in part by the NSF (CBET 0709113 and CMMI 1100736). NR 37 TC 2 Z9 2 U1 3 U2 37 PU NATL INST MATERIALS SCIENCE PI IBARAKI PA NATL INST MATERIALS SCIENCE, 1-2-1 SENGEN, TSUKUBA-CITY, IBARAKI, 305-0047, JAPAN SN 1468-6996 J9 SCI TECHNOL ADV MAT JI Sci. Technol. Adv. Mater. PD APR PY 2014 VL 15 IS 2 AR 025002 DI 10.1088/1468-6996/15/2/025002 PG 16 WC Materials Science, Multidisciplinary SC Materials Science GA AH6TX UT WOS:000336264800011 PM 27877663 ER PT J AU Flynn, B Kim, D Clark, BL Telecky, A Arnadottir, L Szanyi, J Keszler, DA Herman, GS AF Flynn, Brendan Kim, Daeho Clark, Benjamin L. Telecky, Alan Arnadottir, Liney Szanyi, Janos Keszler, Douglas A. Herman, Gregory S. TI In-situ characterization of aqueous-based hafnium oxide hydroxide sulfate thin films SO SURFACE AND INTERFACE ANALYSIS LA English DT Article DE HafSOx; amorphous metal oxide; TPD; XPS; aqueous based ID TEMPERATURE-PROGRAMMED DESORPTION; RAY PHOTOELECTRON-SPECTROSCOPY; SOLID SUPERACID CATALYST; N-BUTANE; SURFACE-STRUCTURE; WATER-ADSORPTION; THERMAL-ANALYSIS; HFO2 FILMS; ZIRCONIA; XPS AB The dehydration of hafnium oxide hydroxide sulfate thin films was studied using temperature programmed desorption (TPD) and X-ray photoelectron spectroscopy. Films were found to desorb water up to 750 K with a maximum desorption rate at similar to 480 K. Carbon dioxide desorption was also observed in TPD measurements, which was related to contamination of precursor solutions and/or films by CO2 from the atmosphere. The O 1s spectra obtained for in-situ annealed samples were fit with three components corresponding to Hf-O, hydroxyl groups, and sulfate groups. Water TPD measurements from the dehydrated surface indicate the presence of two desorption states corresponding to molecularly and dissociatively adsorbed water. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Flynn, Brendan; Arnadottir, Liney; Herman, Gregory S.] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. [Kim, Daeho; Szanyi, Janos] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Clark, Benjamin L.] Inpria Corp, Corvallis, OR 97330 USA. [Telecky, Alan; Keszler, Douglas A.] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. RP Herman, GS (reprint author), Oregon State Univ, Sch Chem Biol & Environm Engn, 102 Gleeson Hall, Corvallis, OR 97331 USA. EM greg.herman@oregonstate.edu OI Keszler, Douglas/0000-0002-7112-1171 FU National Science Foundation [CHE-1102637]; Oregon State University; Oregon Nanoscience and Microtechnologies Institute; Department of Energy's Office of Biological and Environmental Research FX This material is based upon work supported by the National Science Foundation under Grant No. CHE-1102637. Support has also been provided by Oregon State University and the Oregon Nanoscience and Microtechnologies Institute. A portion of the research was performed using 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. BLC and DAK have a financial interest in Inpria Corp. NR 47 TC 2 Z9 2 U1 2 U2 24 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0142-2421 EI 1096-9918 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD APR PY 2014 VL 46 IS 4 SI SI BP 210 EP 215 DI 10.1002/sia.5205 PG 6 WC Chemistry, Physical SC Chemistry GA AD4XO UT WOS:000333255300002 ER PT J AU Yang, L Zhu, ZH Yu, XY Rodek, E Saraf, L Thevuthasan, T Cowin, JP AF Yang, Li Zhu, Zihua Yu, Xiao-Ying Rodek, Eugene Saraf, Lax Thevuthasan, Theva Cowin, James P. TI In situ SEM and ToF-SIMS analysis of IgG conjugated gold nanoparticles at aqueous surfaces SO SURFACE AND INTERFACE ANALYSIS LA English DT Article DE microfluidic platform; aqueous surface; SEM; EDX; ToF-SIMS; nanoparticle; in situ ID TISSUES; CELLS AB In this study, we report new results of in situ study of 5 nm goat anti-mouse IgG gold nanoparticles in a novel portable vacuum compatible microfluidic device using scanning electron microscope (SEM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The unique feature of the liquid flow cell is that the detection window is open to the vacuum allowing direct probing of the liquid surface. The flow cell is composed of a silicon nitride (SiN) membrane and polydimethylsiloxane (PDMS), and it is fully compatible with vacuum operations for surface analysis. The aperture can be drilled through the 100 nm SiN membrane using a focused ion beam. Characteristic signals of the conjugated gold nanoparticles were successfully observed through the aperture by both energy-dispersive X-ray spectroscopy (EDX) in SEM and ToF-SIMS. Comparison was also made among wet samples, dry samples, and liquid sample in the flow cell using SEM/EDX. Stronger gold signal can be observed in our novel portable device by SEM/EDX compared with the wet or dry samples, respectively. Our results indicate that analyses of the nanoparticle components are better made in their native liquid environment. This is made possible using our unique microfluidic flow cell. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Yang, Li; Cowin, James P.] Pacific NW Natl Lab, Div Mat & Chem Sci, Richland, WA 99354 USA. [Yang, Li; Zhu, Zihua; Saraf, Lax; Thevuthasan, Theva] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [Yu, Xiao-Ying] Pacific NW Natl Lab, Atmospher Sci & Global Climate Change Div, Richland, WA 99354 USA. [Rodek, Eugene] SPI Supplies Struct Probe Inc, W Chester, PA 19380 USA. [Cowin, James P.] Cowin In Situ Sci LLC, Richland, WA 99354 USA. RP Zhu, ZH (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM zihua.zhu@pnnl.gov; xiaoying.yu@pnnl.gov RI Zhu, Zihua/K-7652-2012; OI Yu, Xiao-Ying/0000-0002-9861-3109 FU Department of Energy (DOE) Division of Chemical Sciences, Geosciences, and Biosciences (BES Chemical Sciences) [KC-0301020-16248]; Office of Biological and Environmental Research (OBER); Use at Facility Funds (UAFF) of the Pacific Northwest National Laboratory (PNNL); OBER FX We are grateful for the support from the Department of Energy (DOE) Division of Chemical Sciences, Geosciences, and Biosciences (BES Chemical Sciences grant, KC-0301020-16248), the Office of Biological and Environmental Research (OBER), and the Use at Facility Funds (UAFF) of the Pacific Northwest National Laboratory (PNNL). The research was performed in the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by OBER and located at PNNL. PNNL is operated for DOE by Battelle. NR 24 TC 8 Z9 8 U1 2 U2 33 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0142-2421 EI 1096-9918 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD APR PY 2014 VL 46 IS 4 SI SI BP 224 EP 228 DI 10.1002/sia.5252 PG 5 WC Chemistry, Physical SC Chemistry GA AD4XO UT WOS:000333255300004 ER PT J AU Brumbach, MT Jaye, C Ohlhausen, JT Fischer, D AF Brumbach, Michael T. Jaye, Cherno Ohlhausen, James T. Fischer, Daniel TI Imaging, work function, and compositional changes of thiols on gold via shadow mask ozonolysis SO SURFACE AND INTERFACE ANALYSIS LA English DT Article DE NEXAFS; XPS; UPS; imaging; thiol; SAM; pattern; work function ID SELF-ASSEMBLED MONOLAYERS; FLUORINATED ALKANETHIOLS; CHEMICAL LITHOGRAPHY; UV PHOTOOXIDATION; ORGANIC THIOLS; STATIC SIMS; TAIL-GROUP; FILMS; METAL; SURFACES AB Self-assembled monolayers (SAMs) of alkyl and fluorinated thiols were investigated after ozonolysis shadow mask treatments with varying areal domains and after exposure to displacing thiols. Imaging near edge X-ray absorption fine structure (NEXAFS) spectroscopy was used as a novel method for investigating the resulting heterogeneous SAM films. Composition and work function were characterized via X-ray and ultraviolet photoelectron spectroscopy, respectively. Imaging NEXAFS characterization of these heterogeneous films clearly shows the displacement of oxidized thiols after ozonolysis patterning. Changes in the SAM after patterning, and after displacement from back-filling thiols, can be inferred from changes in the effective work function. Larger changes in work function were observed for cases where thiols were deposited after ozonolysis suggesting that the displacing SAM was denser and/or more ordered than as-deposited films. These results highlight one of the first demonstrations of imaging NEXAFS and present measurements of effective work function on intentionally heterogeneous SAM films. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Brumbach, Michael T.; Ohlhausen, James T.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Jaye, Cherno; Fischer, Daniel] NIST, Gaithersburg, MD 20899 USA. RP Brumbach, MT (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM mtbrumb@sandia.gov FU Sandia National Laboratories Laboratory Directed Research and Development Program; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors are grateful for support from Sandia National Laboratories Laboratory Directed Research and Development Program. The inclusion of company names is for completeness and does not represent an endorsement by the National Institute of Standards and Technology or Sandia National Laboratories. The authors are grateful for support from Sandia National Laboratories Laboratory Directed Research and Development Program. 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. 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 60 TC 1 Z9 1 U1 3 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0142-2421 EI 1096-9918 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD APR PY 2014 VL 46 IS 4 SI SI BP 229 EP 236 DI 10.1002/sia.5264 PG 8 WC Chemistry, Physical SC Chemistry GA AD4XO UT WOS:000333255300005 ER PT J AU Malama, B AF Malama, Bwalya TI Theory of transient streaming potentials in coupled unconfined aquifer- unsaturated zone flow to a well SO WATER RESOURCES RESEARCH LA English DT Article DE electrokinetic; streaming potentials; transient; unconfined aquifer; unsaturated zone; hydraulic conductivity ID PUMPING TEST; WATER-TABLE; POROUS-MEDIA; YIELD; SAND; INVERSION AB A semianalytical solution is presented for transient streaming potentials associated with flow to a pumping well in an unconfined aquifer, taking into account the effect of flow in the unsaturated zone above the water table. Flow in the unsaturated zone is modeled with a linearized form of Richards' equation using an exponential model for soil moisture retention and unsaturated hydraulic conductivity. Archie's law is invoked for unsaturated electrical conductivity. The unsaturated electrokinetic coupling coefficient is modeled with a decaying exponential, where the maximum value is at and below the water table. The coupled flow and electrokinetic problem is solved using Laplace and Hankel transforms. The results of the model predicted behavior are presented and compared to that observed in laboratory simulations of pumping tests. The early time polarity reversal predicted the model is observable in the experiments. Other nonmonotonic streaming potential behaviors predicted by the model are also evident in experimental measurements. The model is used to estimate hydraulic parameters from SP data and these compare well to those obtained from drawdown data. For example, a hydraulic conductivity of 3.6 x 10(-4) m/s is obtained from SP data compared to 3.4 x 10(-4) m/s from drawdown data. C1 Sandia Natl Labs, Performance Assessment Dept, Carlsbad, CA 88220 USA. RP Malama, B (reprint author), Sandia Natl Labs, Performance Assessment Dept, Carlsbad, CA 88220 USA. EM bnmalam@sandia.gov FU WIPP; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This research is funded by WIPP programs administered by the Office of Environmental Management (EM) of the U.S Department of Energy. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. We also sincerely thank the two anonymous reviewers for their insightful critiques, comments, and suggestions for additional analyses. NR 48 TC 4 Z9 4 U1 4 U2 21 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD APR PY 2014 VL 50 IS 4 BP 2921 EP 2945 DI 10.1002/2013WR014909 PG 25 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA AH3LV UT WOS:000336026000010 ER PT J AU Dasgupta, NP Sun, JW Liu, C Brittman, S Andrews, SC Lim, J Gao, HW Yan, RX Yang, PD AF Dasgupta, Neil P. Sun, Jianwei Liu, Chong Brittman, Sarah Andrews, Sean C. Lim, Jongwoo Gao, Hanwei Yan, Ruoxue Yang, Peidong TI 25th Anniversary Article: Semiconductor Nanowires Synthesis, Characterization, and Applications SO ADVANCED MATERIALS LA English DT Review DE nanostructure; nanowires; synthesis; electronics; photonics; energy; thermoelectric; photovoltaic; photoelectrochemistry; energy storage; NEMS; bio-nano interface ID FIELD-EFFECT TRANSISTORS; LITHIUM-ION BATTERIES; CORE-SHELL NANOWIRES; LIQUID-SOLID GROWTH; SOLAR-ENERGY-CONVERSION; ATOMIC LAYER DEPOSITION; INDIVIDUAL SILICON NANOWIRES; GALLIUM-PHOSPHIDE NANOWIRES; TRIANGULAR CROSS-SECTIONS; CHEMICAL-VAPOR-DEPOSITION AB Semiconductor nanowires (NWs) have been studied extensively for over two decades for their novel electronic, photonic, thermal, electrochemical and mechanical properties. This comprehensive review article summarizes major advances in the synthesis, characterization, and application of these materials in the past decade. Developments in the understanding of the fundamental principles of bottom-up growth mechanisms are presented, with an emphasis on rational control of the morphology, stoichiometry, and crystal structure of the materials. This is followed by a discussion of the application of nanowires in i) electronic, ii) sensor, iii) photonic, iv) thermoelectric, v) photovoltaic, vi) photoelectrochemical, vii) battery, viii) mechanical, and ix) biological applications. Throughout the discussion, a detailed explanation of the unique properties associated with the one-dimensional nanowire geometry will be presented, and the benefits of these properties for the various applications will be highlighted. The review concludes with a brief perspective on future research directions, and remaining barriers which must be overcome for the successful commercial application of these technologies. C1 [Dasgupta, Neil P.; Sun, Jianwei; Liu, Chong; Brittman, Sarah; Andrews, Sean C.; Lim, Jongwoo; Gao, Hanwei; Yan, Ruoxue; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Sun, Jianwei; Liu, Chong; Brittman, Sarah; Andrews, Sean C.; Lim, Jongwoo; Gao, Hanwei; Yan, Ruoxue; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Yang, Peidong] Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Yuwen, Yu/J-3399-2014; Gao, Hanwei/B-3634-2010; OI Liu, Chong/0000-0001-5546-3852 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231 (P-Chem)]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) under the SunShot Solar Energy Technologies Program FX This article is part of an ongoing series celebrating the 25th anniversary of Advanced Materials. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 (P-Chem) N.P.D. acknowledges support from the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the SunShot Solar Energy Technologies Program. NR 473 TC 210 Z9 211 U1 110 U2 883 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD APR PY 2014 VL 26 IS 14 BP 2137 EP 2184 DI 10.1002/adma.201305929 PG 48 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 AF0IV UT WOS:000334398400003 PM 24604701 ER PT J AU Pascall, AJ Qian, F Wang, GM Worsley, MA Li, Y Kuntz, JD AF Pascall, Andrew J. Qian, Fang Wang, Gongming Worsley, Marcus A. Li, Yat Kuntz, Joshua D. TI Light-Directed Electrophoretic Deposition: A New Additive Manufacturing Technique for Arbitrarily Patterned 3D Composites SO ADVANCED MATERIALS LA English DT Article DE electrophoretic deposition (EPD); additive manufacturing; multimaterials; virtual electrodes; 3D printing ID SOLAR-CELLS; NANOPARTICLES; ELECTRODES; FILMS; BIOMATERIALS; CRYSTALS C1 [Pascall, Andrew J.; Qian, Fang; Worsley, Marcus A.; Kuntz, Joshua D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Wang, Gongming; Li, Yat] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. RP Pascall, AJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM pascall1@llnl.gov RI Wang, Gongming/C-4555-2012; OI Pascall, Andrew/0000-0002-7933-8690; Worsley, Marcus/0000-0002-8012-7727; Li, Yat/0000-0002-8058-2084 FU Laboratory Directed Research and Development Strategic Initiative program [11-SI-005, 14-SI-004]; DARPA Defense Sciences Office, Materials with Controlled Microstructural Architecture Program; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-644274] FX This work was funded by the Laboratory Directed Research and Development Strategic Initiative program 11-SI-005 and 14-SI-004. Funding support from DARPA Defense Sciences Office, Materials with Controlled Microstructural Architecture Program, Program Manager Dr. Judah Goldwasser, is gratefully acknowledged. We would also like to thank Dr. Klint Rose for initial discussions and Dr. Christian Grant for the profilometry data. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, LLNL-JRNL-644274. NR 36 TC 13 Z9 13 U1 9 U2 106 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD APR PY 2014 VL 26 IS 14 BP 2252 EP 2256 DI 10.1002/adma.201304953 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 AF0IV UT WOS:000334398400007 PM 24532281 ER PT J AU Berger, RF Broberg, DP Neaton, JB AF Berger, Robert F. Broberg, Daniel P. Neaton, Jeffrey B. TI Tuning the electronic structure of SrTiO3/SrFeO3-x superlattices via composition and vacancy control SO APL MATERIALS LA English DT Article ID VISIBLE-LIGHT IRRADIATION; TRANSITION-METAL OXIDES; PHOTOCATALYTIC ACTIVITIES; PHASE TRANSITION; NICKEL-OXIDE; PEROVSKITE; OXYGEN; SRTIO3; ENERGY; SUPPRESSION AB Using density functional theory-based calculations, we explore the effects of oxygen vacancies and epitaxial layering on the atomic, magnetic, and electronic structure of (SrTiO3)(n)(SrFeO3-x)(1) superlattices. While structures without oxygen vacancies (x = 0) possess small or non- existent band gaps and ferromagnetic ordering in their iron layers, those with large vacancy concentrations (x = 0.5) have much larger gaps and antiferromagnetic ordering. Though the computed gaps depend numerically on the delicate energetic balance of vacancy ordering and on the value of Hubbard Ueff used in the calculations, we demonstrate that changes in layering can tune the band gaps of these superlattices below that of SrTiO3 (3.2 eV) by raising their valence band maxima. This suggests the possibility that these superlattices could absorb in the solar spectrum, and could serve as water- splitting photocatalysts. (C) 2014 Author(s). C1 [Berger, Robert F.; Broberg, Daniel P.; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Berger, Robert F.] Western Washington Univ, Dept Chem, Bellingham, WA 98225 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Berger, RF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RI Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014 OI Neaton, Jeffrey/0000-0001-7585-6135; FU Energy Materials Center at Cornell [EMC2]; Energy Frontier Research Center - U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001086]; Office of Science, Office of Basic Energy Sciences of the U. S. Department of Energy [DE-AC02-05CH11231] FX We thank C. J. Fennie, D. G. Schlom, C. Adamo, D. A. Muller, and L. F. J. Piper for valuable discussions. This material is based upon work supported as part of the Energy Materials Center at Cornell (EMC2), an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0001086. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 35 TC 1 Z9 1 U1 4 U2 50 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2014 VL 2 IS 4 AR 046101 DI 10.1063/1.4869955 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA AH4FU UT WOS:000336083600002 ER PT J AU Fox, AL Hughes, EA Trocine, RP Trefry, JH Schonberg, SV McTigue, ND Lasorsa, BK Konar, B Cooper, LW AF Fox, Austin L. Hughes, Emily A. Trocine, Robert P. Trefry, John H. Schonberg, Susan V. McTigue, Nathan D. Lasorsa, Brenda K. Konar, Brenda Cooper, Lee W. TI Mercury in the northeastern Chukchi Sea: Distribution patterns in seawater and sediments and biomagnification in the benthic food web SO DEEP-SEA RESEARCH PART II-TOPICAL STUDIES IN OCEANOGRAPHY LA English DT Article DE Arctic; Chukchi Sea; Mercury; Biomagnification ID METHYL MERCURY; ST-LAWRENCE; ISOTOPE ANALYSIS; CHLOROPHYLL-A; ARCTIC-OCEAN; METHYLMERCURY; WATER; BIOACCUMULATION; SHELF; GULF AB Mercury contamination in the atmosphere, snow and marine mammals of the Arctic has been a continuing environmental concern and the focus of many investigations. Much less is known about the distribution of Hg in seawater, sediments and organisms from lower trophic levels in the Arctic, especially the Chukchi Sea. The onset of sea-ice retreat, severe coastal erosion, enhanced primary productivity and offshore energy development in the northeastern Chukchi Sea (NECS) signal changes to a system for which we have limited data for potentially toxic chemicals. To help us better understand and explain any future changes, we present here a combined data set for Hg in seawater, sediments and the following organisms from the NECS: amphipods (Ampelisca macrocephala), clams (Astarte borealis), snow crabs (Chionoecetes opilio), arctic cod (Boreogadus saida) and whelks (Buccinum spp. and Neptunea heros). Concentrations of total dissolved Hg (THgd) averaged ( +/- standard deviation) 2.8 +/- 1.4 pM in the NECS, similar to 2 times greater than values of 1.5 +/- 0.5 pM for the Bering Strait. Overall, consistently lower concentrations of THgd were found at depths with markedly higher concentrations of chlorophyll a. Concentrations of total Hg (THg) in sediments from the NECS averaged 31 +/- 10 ng g(-1), correlated well with silt+clay, Al and TOC, and showed a long-term record consistent with the natural, background environment. Very localized occurrences of sediment with elevated THg concentrations were identified near two exploratory drilling sites where drilling mud and formation cuttings were discharged in 1989. Concentrations of sediment monomethylmercury (MMHg) averaged 0.15 +/- 0.07 ng g(-1) and accounted for only 0.43 +/- 0.17% of the sediment THg. The lowest average value (+/- standard error) for THg in biota was found for A. borealis at 44 +/- 4 ng g(-1) dry weight (d. wt.) with 33% of the THg present as MMHg. The highest average values for THg were identified for the whelks N. heros (195 +/- 29 ng g(-1), d. wt) and Buccinum spp. (269 +/- 54 ng g(-1), d. wt) with 95% of the THg present as MMHg in N. heros, the highest trophic level organism in this study as determined using data for delta N-15. Biomagnification of MMHg was observed in this benthic food web with the following relationship: log[MMHg] = 0.19[delta N-5] - 0.84 (R-2 = 0.80, p = 0.02). (C) 2013 Published by Elsevier Ltd. C1 [Fox, Austin L.; Hughes, Emily A.; Trocine, Robert P.; Trefry, John H.] Florida Inst Technol, Dept Marine & Environm Syst, Melbourne, FL 32901 USA. [Schonberg, Susan V.; McTigue, Nathan D.] Univ Texas Austin, Inst Marine Sci, Port Aransas, TX USA. [Lasorsa, Brenda K.] Battelle Marine Sci Lab, Sequim, WA 98382 USA. [Konar, Brenda] Univ Alaska Fairbanks, Sch Fisheries & Ocean Sci, Fairbanks, AK 99775 USA. [Cooper, Lee W.] Univ Maryland, Ctr Environm Sci, Chesapeake Biol Lab, Solomons, MD 20688 USA. RP Fox, AL (reprint author), Florida Inst Technol, Dept Marine & Environm Syst, 150 W Univ Blvd, Melbourne, FL 32901 USA. EM afox2010@my.fit.edu RI Cooper, Lee/E-5251-2012; OI Cooper, Lee/0000-0001-7734-8388; Trefry, John/0000-0002-8451-5524 FU U.S. Department of Interior, Bureau of Ocean Energy Management (BOEM), Alaska Outer Continental Shelf Region, Anchorage, Alaska, Chukchi Sea Offshore Monitoring in Drilling Area (COMIDA) Project [M08PC20056]; BOEM Alaska Environmental Studies Program; Shell Exploration and Production Company (SEPCo) Alaska, ConocoPhillips Alaska, Incorporated (CPAI); Statoil FX We thank Dick Prentki of the Bureau of Ocean Energy Management (BOEM), U.S. Department of Interior, for his continued interest and enthusiasm for studies of metals in biota. Many thanks go to Captain John Seville and his crews aboard both the Alpha Helix and Moana Wave for outstanding logistical and sampling support. We thank Ken Dunton for his leadership as Chief Scientist for the COMIDA CAB Project and Jackie Grebmeier for serving as Chief Scientist on the two COMIDA CAB cruises. We also thank Eric Hersh and Harish Sangireddy for support at sea and ashore with data management and Cory Hodes of Florida Institute of Technology for assistance with data processing and graphics. The U.S. Department of Interior, Bureau of Ocean Energy Management (BOEM), Alaska Outer Continental Shelf Region, Anchorage, Alaska provided funding under Contract no. M08PC20056 as a part of the Chukchi Sea Offshore Monitoring in Drilling Area (COMIDA) Project and the BOEM Alaska Environmental Studies Program. Additional support was obtained from Shell Exploration and Production Company (SEPCo) Alaska, ConocoPhillips Alaska, Incorporated (CPAI) and Statoil. NR 59 TC 11 Z9 11 U1 5 U2 44 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0967-0645 EI 1879-0100 J9 DEEP-SEA RES PT II JI Deep-Sea Res. Part II-Top. Stud. Oceanogr. PD APR PY 2014 VL 102 BP 56 EP 67 DI 10.1016/j.dsr2.2013.07.012 PG 12 WC Oceanography SC Oceanography GA AH1IH UT WOS:000335873300005 ER PT J AU Kosny, J Asiz, A Smith, I Shrestha, S Fallahi, A AF Kosny, Jan Asiz, Andi Smith, Ian Shrestha, Som Fallahi, Ali TI A review of high R-value wood framed and composite wood wall technologies using advanced insulation techniques SO ENERGY AND BUILDINGS LA English DT Review DE Building energy; Building envelopes; Thermal insulation AB The main objective of this study is to indentify advanced wall frame assemblies applicable for residential and small commercial buildings, that have or could reach R-values larger than R-SI -3.5 m(2) K/W (U-value lower from 0.29). An extensive literature review of existing and past practices is used as the main vehicle to analyze: framing and wall insulation methods, architectural details with focus on minimizing thermal bridges, structural adequacy aspects with respect to gravity and lateral loads, and ability to provide fire and sound breaks. In this paper a wide selection of advance framing wall assemblies is discussed in details with main focus on construction methods, architectural details with minimized thermal bridges, and structural (strength) concerns. High performance wall technologies of consideration include: double walls, Larsen truss walls, optimum or advanced framing walls, walls using distance spacers (furring) and walls made of wood-based composites. Since wood framing for wall applications is mostly used in North America, Scandinavia, and Central Europe, this study is focused on research studies from these regions. In addition, field test studies are presented discussing an application of high R-value of new and retrofitted wall assemblies in actual test houses that have been constructed and being currently monitored. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kosny, Jan; Fallahi, Ali] Fraunhofer CSE, Boston, MA 02210 USA. [Asiz, Andi] Prince Mohammad Bin Fand Univ, Khobar, Saudi Arabia. [Smith, Ian] Univ New Brunswick, Fredericton, NB, Canada. [Shrestha, Som] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Kosny, J (reprint author), Fraunhofer CSE, Boston, MA 02210 USA. EM jkosny@fraunhofer.org OI Shrestha, Som/0000-0001-8399-3797 FU Oak Ridge National Laboratory (ORNL) through the Oak Ridge Institute for Science and Education (ORISE); Frunhover CSE FX Financial supports provided by Oak Ridge National Laboratory (ORNL) through the Oak Ridge Institute for Science and Education (ORISE) and by Frunhover CSE are greatly acknowledged. Thanks are also extended to ORNL and Fraunhofer CSE research staffs for providing technical information about ZEBRAlliance test houses and materials used in the Brunswick, ME test house. NR 47 TC 3 Z9 3 U1 4 U2 30 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 EI 1872-6178 J9 ENERG BUILDINGS JI Energy Build. PD APR PY 2014 VL 72 BP 441 EP 456 DI 10.1016/j.enbuild.2014.01.004 PG 16 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA AH1JU UT WOS:000335877200048 ER PT J AU McMahon, BH Frauenfelder, H Fenimore, PW AF McMahon, Benjamin H. Frauenfelder, Hans Fenimore, Paul W. TI The role of continuous and discrete water structures in protein function SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Review ID SLOW CONFORMATIONAL-CHANGES; COUPLED ELECTRON-TRANSFER; CARBON-MONOXIDE BINDING; CYTOCHROME-C-OXIDASE; ENERGY LANDSCAPES; LIGAND-BINDING; CRYSTAL-STRUCTURES; HEME-PROTEINS; MYOGLOBIN; DYNAMICS AB Proteins have evolved to perform numerous roles as specific catalysts and nano-machines. Some of the mechanisms exploited by evolution are clear. Hydrophobicity drives the stabilization energy of folding, charges mediate long-range interactions and facilitate catalysis, and specific geometries and hydrogen bonding patterns facilitate molecular recognition and catalysis. In this work, we examine the energy landscape of protein dynamics in terms of the continuous and discrete water structures that control protein dynamics. We observe that the internal structures at the active site of proteins are constantly shaped by strong interactions with hydration shell and bulk water motions. By describing the energy landscape of proteins in terms of its three component motions; conformational, hydration and protonation, and electronic structure, it is possible to systematically understand protein function. C1 [McMahon, Benjamin H.; Frauenfelder, Hans; Fenimore, Paul W.] Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp MS K710, Los Alamos, NM 87545 USA. RP McMahon, BH (reprint author), Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp MS K710, Los Alamos, NM 87545 USA. EM mcmahon@lanl.gov NR 65 TC 4 Z9 4 U1 2 U2 36 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD APR PY 2014 VL 223 IS 5 BP 915 EP 926 DI 10.1140/epjst/e2014-02125-y PG 12 WC Physics, Multidisciplinary SC Physics GA AH1VC UT WOS:000335908300003 ER PT J AU Greene, DL Park, S Liu, CZ AF Greene, David L. Park, Sangsoo Liu, Changzheng TI Analyzing the transition to electric drive vehicles in the US SO FUTURES LA English DT Article ID ENERGY; TRANSPORTATION AB Scenarios of the transition to electric drive passenger cars and light trucks are created using the same model, technology and market behavior assumptions used in the recent National Research Council study, Transitions to Alternative Vehicles and Fuels. The transition is assumed to begin in California and the other U.S. states that have adopted California's Zero Emission Vehicle (ZEV) requirements. Five years after the ZEV standards take effect in 2015, the rest of the U.S. adopts polices strongly supporting the transition. After roughly a decade of net costs, market adoption of electric drive vehicles becomes self-sustaining. In the long run, the model implies that social benefits exceed excess costs by approximately an order of magnitude. Analysis of major energy transitions is characterized by deep uncertainty due to the long time constants for energy system change, the unpredictability of technological change and government policies, inadequate understanding of market processes, and the many important positive feedback mechanisms that create tipping points. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Greene, David L.; Park, Sangsoo] Univ Tennessee, Howard H Baker Jr Ctr Publ Policy, Knoxville, TN 37996 USA. [Greene, David L.; Liu, Changzheng] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Greene, DL (reprint author), Univ Tennessee, Howard H Baker Jr Ctr Publ Policy, 1640 Cumberland Ave, Knoxville, TN 37996 USA. EM dlgreene@utk.edu; spark34@utk.edu; liuc2@ornl.gov NR 41 TC 12 Z9 12 U1 2 U2 33 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-3287 EI 1873-6378 J9 FUTURES JI Futures PD APR PY 2014 VL 58 SI SI BP 34 EP 52 DI 10.1016/j.futures.2013.07.003 PG 19 WC Economics; Planning & Development SC Business & Economics; Public Administration GA AG7PZ UT WOS:000335611600004 ER PT J AU Crabtree, G Kocs, E Alaan, T AF Crabtree, George Kocs, Elizabeth Alaan, Thomas TI Energy, society and science: The fifty-year scenario SO FUTURES LA English DT Article DE Energy research; Society; Climate; Energy carriers; Energy storage; Energy market ID SUSTAINABLE ENERGY; BATTERIES; FUELS; GAS; CHALLENGES; CONVERSION; HEALTH; WATER; CO2 AB A vibrant, interactive, and rapidly advancing global society needs an adequate, low cost, predictable and diverse supply of energy; a stable climate; and an international market for energy that mediates across countries, regions, and energy carriers. The science discoveries needed to achieve these energy and societal outcomes are analyzed. (C) 2014 Elsevier Ltd All rights reserved. C1 [Crabtree, George] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Crabtree, George] Univ Illinois, Dept Elect Engn, Chicago, IL 60607 USA. [Crabtree, George] Univ Illinois, Dept Mech Engn, Chicago, IL 60607 USA. [Crabtree, George] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Kocs, Elizabeth; Alaan, Thomas] Univ Illinois, Energy Initiat, Chicago, IL 60607 USA. RP Kocs, E (reprint author), Univ Illinois, Energy Initiat, 845 W Taylor St, Chicago, IL 60607 USA. EM ekocs@uic.edu NR 65 TC 1 Z9 1 U1 4 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-3287 EI 1873-6378 J9 FUTURES JI Futures PD APR PY 2014 VL 58 SI SI BP 53 EP 65 DI 10.1016/j.futures.2014.01.003 PG 13 WC Economics; Planning & Development SC Business & Economics; Public Administration GA AG7PZ UT WOS:000335611600005 ER PT J AU Koleske, DD Lee, SR Crawford, MH Cross, KC Coltrin, ME Kempisty, JM AF Koleske, D. D. Lee, S. R. Crawford, M. H. Cross, K. C. Coltrin, M. E. Kempisty, J. M. TI Connection between GaN and InGaN growth mechanisms and surface morphology SO JOURNAL OF CRYSTAL GROWTH LA English DT Article DE Atomic force microscopy; Surface morphology; Evaporation and recondensation; Surface diffusion; Metalorganic chemical vapor deposition; Group III-nitrides ID EPITAXIAL LATERAL OVERGROWTH; CHEMICAL-VAPOR-DEPOSITION; HYDROGEN ATMOSPHERE; THERMAL-STABILITY; GALLIUM NITRIDE; QUANTUM-WELLS; DECOMPOSITION; MOVPE; FILMS; SAPPHIRE AB Power spectral density (PSD) analysis of atomic force microscopy (AM) images is used to determine the roughening and smoothing mechanisms that contribute to InGaN and GaN morphology during metalorganic chemical vapor deposition epitaxy (MOCVD). The analysis finds that non-stochastic surface roughening occurs from deposition onto the pre-existing GaN surface with this roughening becoming more evident at lower growth temperature. Counteracting the surface roughening are two smoothing mechanisms that operate over different temperature ranges and length scales. The first is an evaporation and recondensation mechanism, which dominates at higher temperatures (>900 degrees C) and longer length-scales ranging from one to tens of microns. The second is a surface diffusion mechanism, which dominates at lower temperatures (<800 degrees C) and shorter length scales ranging from tens to hundreds of nanometers. The competition between roughening and smoothing leads to a characteristic length-scale for mound (or hillock) formation, which prevails for low-temperature growth of GaN and InGaN single heterolayers, as well as InGaN/GaN multiple quantum wells (MQWs). For InGaN/GaN MQW samples where the wells are similarly grown, the choice of the GaN-barrier growth conditions is shown to influence MQW-interface roughness. Moreover, increased green-wavelength photoluminescence intensity is observed when rougher (rather than smoother) interfaces are present. The results suggest that the operation of smoothing mechanisms during MOCVD growth can be tailored to influence InGaN/GaN surface morphology and possibly improve emission efficiency. (C) 2014 Elsevier B.V. All rights reserved C1 [Koleske, D. D.; Lee, S. R.; Crawford, M. H.; Cross, K. C.; Coltrin, M. E.; Kempisty, J. M.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Koleske, DD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ddkoles@sandia.gov FU Sandia's Solid-State Lighting Science Energy Frontier Research Center - US Department of Energy, Office of Basic Energy Sciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX J.J. Figiel and K. Westlake are thanked for technical assistance. This work was supported by Sandia's Solid-State Lighting Science Energy Frontier Research Center, funded by the US 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 Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 54 TC 10 Z9 10 U1 4 U2 85 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 EI 1873-5002 J9 J CRYST GROWTH JI J. Cryst. Growth PD APR 1 PY 2014 VL 391 BP 85 EP 96 DI 10.1016/j.jcrysgro.2014.01.010 PG 12 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA AG9WM UT WOS:000335770700014 ER PT J AU Fang, L Kwok, WK AF Fang, Lei Kwok, Wai-Kwong TI Quantum phenomena in transport measurements of topological insulator nanostructures (Review Article) SO LOW TEMPERATURE PHYSICS LA English DT Review ID QUANTIZED HALL CONDUCTANCE; HIGH MAGNETIC-FIELDS; SURFACE-STATES; BI2SE3 NANORIBBONS; WEAK-LOCALIZATION; BERRYS PHASE; SUPERCONDUCTORS; OSCILLATIONS; BI2TE3; REALIZATION AB We review the recent experimental advances on quantum phenomena in transport measurements of topological insulators with emphasis on quantum oscillation, weak antilocalization and Aharonov-Bohm effect and Altshuler-Aronov-Spivak effect. Following a brief introduction on the topic, we discuss the identification of the topological surface state based on quantum phenomena. Research prospect of topological insulators is described at the end of this article. (C) 2014 AIP Publishing LLC. C1 [Fang, Lei; Kwok, Wai-Kwong] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Fang, Lei] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Fang, L (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lfang@anl.gov FU Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX L.F. and W.K.K. thank the support of the Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 96 TC 0 Z9 0 U1 7 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 1063-777X EI 1090-6517 J9 LOW TEMP PHYS+ JI Low Temp. Phys. PD APR PY 2014 VL 40 IS 4 BP 280 EP 285 DI 10.1063/1.4869584 PG 6 WC Physics, Applied SC Physics GA AH4GC UT WOS:000336084400003 ER PT J AU Crone, JC Chung, PW Leiter, KW Knap, J Aubry, S Hommes, G Arsenlis, A AF Crone, Joshua C. Chung, Peter W. Leiter, Kenneth W. Knap, Jaroslaw Aubry, Sylvie Hommes, Gregg Arsenlis, Athanasios TI A multiply parallel implementation of finite element-based discrete dislocation dynamics for arbitrary geometries SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE dislocation dynamics; free surface; image stress ID BOUNDARY-VALUE PROBLEM; MESOSCOPIC SCALE; FREE-SURFACE; MULTISCALE MODEL; SINGLE-CRYSTALS; IMAGE STRESSES; PLASTICITY; SIMULATION; DEFECTS; DEFORMATION AB Discrete dislocation dynamics (DD) approaches have proven useful in modeling the dynamics of large ensembles of dislocations. Continuing interest in finite body effects via image stresses has extended DD numerical approaches to improve the handling of surfaces. However, a physically accurate, yet computationally scalable, implementation has been elusive. This paper presents a new framework and implementation of a finite element-based discrete DD code that (1) treats arbitrarily shaped non-convex surfaces through image tractions, (2) allows for systematic refinement of the finite element mesh both in the bulk and on the surface and (3) provides a platform to scale to relatively larger and lengthier simulations. The approach is based on the capabilities of the Parallel Dislocation Simulator coupled through a distributed shared memory implementation for the calculation of large numbers of dislocation segments interacting with an independently large number of surface finite elements. Surface tracking approaches enable topological features at surfaces to be modeled. We verify the computed results via comparisons with analytical solutions for an infinite screw dislocation and prismatic loop near a surface and examine surface effects on a Frank-Read source. Convergence of the image force error with h- and p-refinement is shown to indicate the computational robustness. Additionally, through larger numerical experiments, we demonstrate the new capabilities in a three-dimensional elastic body of finite extent. C1 [Crone, Joshua C.; Chung, Peter W.; Leiter, Kenneth W.; Knap, Jaroslaw] US Army Res Lab, Aberdeen Proving Ground, MD 21005 USA. [Aubry, Sylvie; Hommes, Gregg; Arsenlis, Athanasios] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Crone, JC (reprint author), US Army Res Lab, Aberdeen Proving Ground, MD 21005 USA. EM joshua.crone.civ@mail.mil FU Army Program Element [0601102A H44]; Computational Sciences Division at the US Army Research Laboratory; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This research was performed through support, in part, from Army Program Element 0601102A H44 and the Computational Sciences Division at the US Army Research Laboratory and, in part, through the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Computing resources were provided by the Department of Defense (DoD) Supercomputing Resource Center (DSRC). NR 59 TC 7 Z9 7 U1 0 U2 19 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD APR PY 2014 VL 22 IS 3 AR 035014 DI 10.1088/0965-0393/22/3/035014 PG 27 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH2LM UT WOS:000335952900024 ER PT J AU Queyreau, S Marian, J Wirth, BD Arsenlis, A AF Queyreau, S. Marian, J. Wirth, B. D. Arsenlis, A. TI Analytical integration of the forces induced by dislocations on a surface element SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE dislocation dynamics coupled with finite elements; tractions; forces due to dislocations ID BOUNDARY-VALUE PROBLEM; DYNAMICS; PLASTICITY; MODEL; SIMULATIONS; FORMULATION AB An analytical formulation of the nodal forces induced by a dislocation segment on a surface element is presented. The determination of such nodal forces is a critical step when associating dislocation dynamics simulations with continuum approaches to simulate the plastic behaviour of finite domains. The nodal force calculation starts from the infinite-domain stress field of a dislocation and involves a triple integration over the dislocation ensemble and over the surface element at the domain boundary. In the case of arbitrary oriented straight segments of dislocations and a linear rectangular surface element, the solution is derived by means of a sequence of integrations by parts that present specific recurrence relations. The use of the non-singular expression for the infinite-domain stress field ensures that the traction field is finite everywhere even at the dislocation core. A specific solution is provided for virtual semi-infinite segments that can be used to enforce global mechanical equilibrium in the infinite domain. The proposed model for nodal forces is fully analytical, exact and very efficient computationally. A discussion on how to adapt the proposed methodology to more complex shape functions and surface element geometry is presented at the end of the paper. C1 [Queyreau, S.] Univ Paris 13, LSPM CNRS, UPR 3407, F-93430 Villetaneuse, France. [Queyreau, S.; Marian, J.; Arsenlis, A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Queyreau, S.; Wirth, B. D.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Wirth, B. D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. RP Queyreau, S (reprint author), Univ Paris 13, LSPM CNRS, UPR 3407, F-93430 Villetaneuse, France. EM sylvain.queyreau@lspm.cnrs.fr RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 33 TC 1 Z9 1 U1 0 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD APR PY 2014 VL 22 IS 3 AR 035004 DI 10.1088/0965-0393/22/3/035004 PG 37 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH2LM UT WOS:000335952900014 ER PT J AU Yadav, SK Ramprasad, R Wang, J Misra, A Liu, XY AF Yadav, S. K. Ramprasad, R. Wang, J. Misra, A. Liu, X-Y TI First-principles study of Cu/TiN and Al/TiN interfaces: weak versus strong interfaces SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE density functional theory; metal/ceramic interface; shear strength ID NITRIDE THIN-FILMS; COPPER NITRIDE; MULTILAYERS; BEHAVIOR; STRENGTH; SCALE AB Using density functional theory based first-principles calculations, we show that the preferred interfacial plane orientation relationship is determined by the strength of bonding at the interface. The thermodynamic stability, and the ideal tensile and shear strengths of Cu(1 1 1)/TiN(1 1 1) and Al(1 1 1)/TiN(1 1 1) interfaces are calculated. While there is a strong orientation relation preference for the Al/TiN interface, there is no orientation relation preference for the Cu/TiN interface. Both the ideal tensile and shear strengths of Cu/TiN interfaces are lower than those of bulk Cu and TiN, suggesting such interfaces are weaker than their bulk components. By comparison, the ideal strengths of the Al/TiN interface are comparable to the constituents in the bulk form. Such contrasting interfaces can be a test-bed for studying the role of interfaces in determining the mechanical behavior of the nanolayered structures. C1 [Yadav, S. K.; Wang, J.; Liu, X-Y] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Ramprasad, R.] Univ Connecticut, Storrs, CT 06269 USA. [Misra, A.] Los Alamos Natl Lab, MPA CINT, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Yadav, SK (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST 8, Los Alamos, NM 87545 USA. EM yadav.satyesh@gmail.com RI Yadav, Satyesh/M-6588-2014; yadav, satyesh/C-5811-2013; Misra, Amit/H-1087-2012; Wang, Jian/F-2669-2012 OI yadav, satyesh/0000-0002-6308-6070; Wang, Jian/0000-0001-5130-300X FU US Department of Energy, Office of Science, Office of Basic Energy Sciences; Los Alamos National Laboratory (LANL) Directed Research and Development Program; National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396] FX We thank Nan Li for helpful discussions. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. XYL also acknowledges partial support by the Los Alamos National Laboratory (LANL) Directed Research and Development Program. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract No DE-AC52-06NA25396. NR 31 TC 7 Z9 7 U1 5 U2 32 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD APR PY 2014 VL 22 IS 3 AR 035020 DI 10.1088/0965-0393/22/3/035020 PG 11 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH2LM UT WOS:000335952900030 ER PT J AU Jha, RK Gaiotto, T Bradbury, ARM Strauss, CEM AF Jha, Ramesh K. Gaiotto, Tiziano Bradbury, Andrew R. M. Strauss, Charlie E. M. TI An improved Protein G with higher affinity for human/rabbit IgG Fc domains exploiting a computationally designed polar network SO PROTEIN ENGINEERING DESIGN & SELECTION LA English DT Article DE Computational protein design; Fc domain; Immunoglobulin G; Polar interaction; Protein G ID YEAST SURFACE DISPLAY; STRUCTURE PREDICTION; DIRECTED EVOLUTION; ANTIBODY-AFFINITY; FUSION PROTEIN; BINDING; SPECIFICITY; RESOLUTION; INTERFACE; DOCKING AB Protein G is an IgG binding protein that has been widely exploited for biotechnological purposes. Rosetta protein modeling identified a set of favorable polar mutations in Protein G, at its binding interface with the Fc domain of Immunoglobulin G, that were predicted to increase the stability and tighten the binding relative to native Protein G, with only a minor perturbation of the binding mode seen in the crystal structure. This triple mutant was synthesized and evaluated experimentally. Relative to the native protein G, the mutant showed a 3.5-fold enhancement in display level on the surface of yeast and a 5-fold tighter molar affinity for rabbit and human IgG. We attribute the improved affinity to a network of hydrogen bonds exploiting specific polar groups on human and rabbit Fc. The relative specificity increased as well since there was little affinity enhancement for goat and mouse Fc, while the affinity for rat Fc was poorer by half. This designed Protein G will be useful in biotechnological applications as a recombinant protein, where its improved affinity, display and specificity will increase antibody capture sensitivity and capacity. Furthermore, the display of this protein on the surface of yeast introduces the concept of the use of yeast as an affinity matrix. C1 [Jha, Ramesh K.; Gaiotto, Tiziano; Bradbury, Andrew R. M.; Strauss, Charlie E. M.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Bradbury, ARM (reprint author), Los Alamos Natl Lab, Biosci Div, MS M888, Los Alamos, NM 87545 USA. EM amb@lanl.gov; cems@lanl.gov OI Bradbury, Andrew/0000-0002-5567-8172; Jha, Ramesh/0000-0001-5904-3441 FU Defense Threat Reduction Agency [CBCALL12-LS-6-0622]; LANL Institutional Computing [W11_SynBio]; LANL Laboratory Directed Research and Development program [20120029DR]; National Institute of Health [5U54DK093500-02] FX This work was supported by the Defense Threat Reduction Agency [CBCALL12-LS-6-0622 to C.E.M.S.], LANL Institutional Computing [W11_SynBio to C.E.M.S.] and LANL Laboratory Directed Research and Development program [20120029DR to C.E.M.S.], and by the National Institute of Health [5U54DK093500-02 to A.R.M.B.] NR 45 TC 1 Z9 1 U1 1 U2 6 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1741-0126 EI 1741-0134 J9 PROTEIN ENG DES SEL JI Protein Eng. Des. Sel. PD APR PY 2014 VL 27 IS 4 BP 127 EP 134 DI 10.1093/protein/gzu005 PG 8 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA AH1XU UT WOS:000335915900004 PM 24632761 ER PT J AU Bora, DK Glans, PA Pepper, J Liu, YS Du, C Wang, DW Guo, JH AF Bora, Debajeet K. Glans, Per-Anders Pepper, John Liu, Yi-Sheng Du, Chun Wang, Dunwei Guo, J. -H. TI An ultra-high vacuum electrochemical flow cell for in situ/operando soft X-ray spectroscopy study SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ABSORPTION-SPECTROSCOPY; LIQUID WATER; HEMATITE; ELECTROLYTES; DEPOSITION AB An in situ flow electrochemical cell has been designed and fabricated to allow better seal under UHV chamber thus to achieve a good signal to noise ratio in fluorescence yield detection of X-ray absorption spectra for spectroelectrochemical study. The cell also stabilizes the thin silicon nitride membrane window in an effective manner so that the liquid cell remains intact during X-ray absorption experiments. With the improved design of the liquid cell, electrochemical experiments such as cyclic voltammetry have been performed for 10 cycles with a good stability of sample window. Also an operando electrochemical experiment during photoelectrochemistry has been performed on n-type hematite electrode deposited on silicon nitride window. The experiment allows us to observe the formation of two extra electronic transitions before pre edge of O K-edge spectra. (C) 2014 AIP Publishing LLC. C1 [Bora, Debajeet K.; Glans, Per-Anders; Pepper, John; Liu, Yi-Sheng; Guo, J. -H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Du, Chun; Wang, Dunwei] Boston Coll, Dept Chem, Boston, MA 02467 USA. RP Bora, DK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM debajeet.bora@empa.ch; jguo@lbl.gov RI Bora, Debajeet/C-1951-2009; Glans, Per-Anders/G-8674-2016 OI Bora, Debajeet/0000-0001-6466-7734; FU directorate of Berkeley Lab; Office of Science/BES, of the U.S. DoE [DE-AC02-05CH11231] FX The authors would like to acknowledge the LDRD project supported by directorate of Berkeley Lab. The ALS is supported by the Director, Office of Science/BES, of the U.S. DoE, under Contract No. DE-AC02-05CH11231. For making gold deposited window, helps from Dr. J. J. Velasco-Velez, Materials Science Division, LBNL is highly acknowledged. NR 28 TC 8 Z9 8 U1 5 U2 39 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 APR PY 2014 VL 85 IS 4 AR 043106 DI 10.1063/1.4870795 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600006 PM 24784592 ER PT J AU Hahn, KD Cooper, GW Ruiz, CL Fehl, DL Chandler, GA Knapp, PF Leeper, RJ Nelson, AJ Smelser, RM Torres, JA AF Hahn, K. D. Cooper, G. W. Ruiz, C. L. Fehl, D. L. Chandler, G. A. Knapp, P. F. Leeper, R. J. Nelson, A. J. Smelser, R. M. Torres, J. A. TI Fusion-neutron-yield, activation measurements at the Z accelerator: Design, analysis, and sensitivity SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NATIONAL-IGNITION-FACILITY; DENSE-PLASMA-FOCUS; DETECTOR AB We present a general methodology to determine the diagnostic sensitivity that is directly applicable to neutron-activation diagnostics fielded on a wide variety of neutron-producing experiments, which include inertial-confinement fusion (ICF), dense plasma focus, and ion beam-driven concepts. This approach includes a combination of several effects: (1) non-isotropic neutron emission; (2) the 1/r(2) decrease in neutron fluence in the activation material; (3) the spatially distributed neutron scattering, attenuation, and energy losses due to the fielding environment and activation material itself; and (4) temporally varying neutron emission. As an example, we describe the copper-activation diagnostic used to measure secondary deuterium-tritium fusion-neutron yields on ICF experiments conducted on the pulsed-power Z Accelerator at Sandia National Laboratories. Using this methodology along with results from absolute calibrations and Monte Carlo simulations, we find that for the diagnostic configuration on Z, the diagnostic sensitivity is 0.037% +/- 17% counts/neutron per cm(2) and is similar to 40% less sensitive than it would be in an ideal geometry due to neutron attenuation, scattering, and energy-loss effects. (C) 2014 Author(s). C1 [Hahn, K. D.; Ruiz, C. L.; Fehl, D. L.; Chandler, G. A.; Knapp, P. F.; Smelser, R. M.; Torres, J. A.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Cooper, G. W.; Nelson, A. J.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Leeper, R. J.] Los Alamos Natl Labs, Plasma Phys Grp, Los Alamos, NM 87545 USA. RP Hahn, KD (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM kdhahn@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 No. DE-AC04-94AL85000. NR 33 TC 4 Z9 4 U1 1 U2 10 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 043507 DI 10.1063/1.4870779 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600021 PM 24784607 ER PT J AU Reber, TJ Plumb, NC Waugh, JA Dessau, DS AF Reber, T. J. Plumb, N. C. Waugh, J. A. Dessau, D. S. TI Effects, determination, and correction of count rate nonlinearity in multi-channel analog electron detectors SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ANGLE-RESOLVED PHOTOEMISSION; HIGH-TEMPERATURE SUPERCONDUCTORS; STATE AB Detector counting rate nonlinearity, though a known problem, is commonly ignored in the analysis of angle resolved photoemission spectroscopy where modern multichannel electron detection schemes using analog intensity scales are used. We focus on a nearly ubiquitous "inverse saturation" nonlinearity that makes the spectra falsely sharp and beautiful. These artificially enhanced spectra limit accurate quantitative analysis of the data, leading to mistaken spectral weights, Fermi energies, and peak widths. We present a method to rapidly detect and correct for this nonlinearity. This algorithm could be applicable for a wide range of nonlinear systems, beyond photoemission spectroscopy. (C) 2014 AIP Publishing LLC. C1 [Reber, T. J.; Plumb, N. C.; Waugh, J. A.; Dessau, D. S.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. RP Reber, TJ (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Plumb, Nicholas/B-8059-2013 OI Plumb, Nicholas/0000-0002-2334-8494 FU DOE [DE-FG02-03ER46066] FX We thank D. H. Lu and R. G. Moore for help at SSRL and M. Arita and H. Iwasawa at HiSOR. SSRL is operated by the DOE, Office of Basic Energy Sciences. Funding for this research was provided by DOE Grant No. DE-FG02-03ER46066. NR 13 TC 2 Z9 2 U1 4 U2 13 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 043907 DI 10.1063/1.4870283 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600040 PM 24784626 ER PT J AU Rosenberg, MJ Seguin, FH Waugh, CJ Rinderknecht, HG Orozco, D Frenje, JA Johnson, MG Sio, H Zylstra, AB Sinenian, N Li, CK Petrasso, RD Glebov, VY Stoeckl, C Hohenberger, M Sangster, TC LePape, S Mackinnon, AJ Bionta, RM Landen, OL Zacharias, RA Kim, Y Herrmann, HW Kilkenny, JD AF Rosenberg, M. J. Seguin, F. H. Waugh, C. J. Rinderknecht, H. G. Orozco, D. Frenje, J. A. Johnson, M. Gatu Sio, H. Zylstra, A. B. Sinenian, N. Li, C. K. Petrasso, R. D. Glebov, V. Yu. Stoeckl, C. Hohenberger, M. Sangster, T. C. LePape, S. Mackinnon, A. J. Bionta, R. M. Landen, O. L. Zacharias, R. A. Kim, Y. Herrmann, H. W. Kilkenny, J. D. TI Empirical assessment of the detection efficiency of CR-39 at high proton fluence and a compact, proton detector for high-fluence applications SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NATIONAL-IGNITION-FACILITY; INERTIAL-FUSION IMPLOSIONS; OMEGA; PLASMAS AB CR-39 solid-state nuclear track detectors are widely used in physics and in many inertial confinement fusion (ICF) experiments, and under ideal conditions these detectors have 100% detection efficiency for similar to 0.5-8 MeV protons. When the fluence of incident particles becomes too high, overlap of particle tracks leads to under-counting at typical processing conditions (5 h etch in 6N NaOH at 80 degrees C). Short etch times required to avoid overlap can cause under-counting as well, as tracks are not fully developed. Experiments have determined the minimum etch times for 100% detection of 1.7-4.3-MeV protons and established that for 2.4-MeV protons, relevant for detection of DD protons, the maximum fluence that can be detected using normal processing techniques is less than or similar to 3 x 10(6) cm(-2). A CR-39-based proton detector has been developed to mitigate issues related to high particle fluences on ICF facilities. Using a pinhole and scattering foil several mm in front of the CR-39, proton fluences at the CR-39 are reduced by more than a factor of similar to 50, increasing the operating yield upper limit by a comparable amount. (C) 2014 AIP Publishing LLC. C1 [Rosenberg, M. J.; Seguin, F. H.; Waugh, C. J.; Rinderknecht, H. G.; Orozco, D.; Frenje, J. A.; Johnson, M. Gatu; Sio, H.; Zylstra, A. B.; Sinenian, N.; Li, C. K.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Glebov, V. Yu.; Stoeckl, C.; Hohenberger, M.; Sangster, T. C.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [LePape, S.; Mackinnon, A. J.; Bionta, R. M.; Landen, O. L.; Zacharias, R. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kim, Y.; Herrmann, H. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kilkenny, J. D.] Gen Atom Co, San Diego, CA 92186 USA. RP Rosenberg, MJ (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM mrosenbe@mit.edu RI MacKinnon, Andrew/P-7239-2014; lepape, sebastien/J-3010-2015; OI MacKinnon, Andrew/0000-0002-4380-2906; /0000-0003-4969-5571 FU (U.S.) Department of Energy (DOE) [DE-NA0001857]; NLUF [DE-NA0002035]; LLE [415935-G]; LLNL [B600100]; LANL [68238-001-09] FX The authors thank the OMEGA operations and target fabrication crews for their assistance in carrying out these experiments and J. Schaeffer, R. Frankel, E. Doeg, M. Valadez, M. Cairel, and M. McKernan for their help in processing of CR-39 data used in this work. This work was performed in partial fulfillment of the first author's Ph.D. thesis and supported in part by (U.S.) Department of Energy (DOE) (Grant No. DE-NA0001857), NLUF (No. DE-NA0002035), LLE (No. 415935-G), LLNL (No. B600100), and LANL (No. 68238-001-09). NR 21 TC 5 Z9 5 U1 1 U2 9 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 043302 DI 10.1063/1.4870898 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600011 PM 24784597 ER PT J AU Schollmeier, M Geissel, M Sefkow, AB Flippo, KA AF Schollmeier, M. Geissel, M. Sefkow, A. B. Flippo, K. A. TI Improved spectral data unfolding for radiochromic film imaging spectroscopy of laser-accelerated proton beams SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID FLUKA CODE; HEAVY-ION; DOSIMETRY; RADIATION; IRRADIATION; GENERATION; DETECTORS; ALANINE; DRIVEN; SOLIDS AB An improved method to unfold the space-resolved proton energy distribution function of laser-accelerated proton beams using a layered, radiochromic film (RCF) detector stack has been developed. The method takes into account the reduced RCF response near the Bragg peak due to a high linear energy transfer (LET). This LET dependence of the active RCF layer has been measured, and published data have been re-interpreted to find a nonlinear saturation scaling of the RCF response with stopping power. Accounting for the LET effect increased the integrated particle yield by 25% after data unfolding. An iterative, analytical, space-resolved deconvolution of the RCF response functions from the measured dose was developed that does not rely on fitting. After the particle number unfold, three-dimensional interpolation is performed to determine the spatial proton beam distribution for proton energies in-between the RCF data points. Here, image morphing has been implemented as a novel interpolation method that takes into account the energy-dependent, changing beam topology. (C) 2014 AIP Publishing LLC. C1 [Schollmeier, M.; Geissel, M.; Sefkow, A. B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Flippo, K. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Schollmeier, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Flippo, Kirk/C-6872-2009 OI Flippo, Kirk/0000-0002-4752-5141 FU Laboratory Directed Research and Development Program at Sandia National Laboratories; Laboratory Directed Research and Development Program at Los Alamos National Laboratory; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors acknowledge B. W. Atherton and J. L. Porter for support. M. S. thanks K. Harres, D. Kraus, F. Nurnberg, and M. Roth from TU Darmstadt, Germany, R. Repnow and team at the Tandem accelerator at Max-Planck-Institut fur Kernphysik, Heidelberg, Germany, for supporting the LET measurements, as well as O. Deppert from TU Darmstadt for accelerating the RCF response function particle tracking code. We gratefully acknowledge clarifying comments and helpful hints by the reviewer. Support provided by the Laboratory Directed Research and Development Programs at Sandia National Laboratories and at Los Alamos National Laboratory. 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 41 TC 5 Z9 5 U1 0 U2 3 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 043305 DI 10.1063/1.4870895 PG 12 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600014 PM 24784600 ER PT J AU Stone, MB Niedziela, JL Abernathy, DL DeBeer-Schmitt, L Ehlers, G Garlea, O Granroth, GE Graves-Brook, M Kolesnikov, AI Podlesnyak, A Winn, B AF Stone, M. B. Niedziela, J. L. Abernathy, D. L. DeBeer-Schmitt, L. Ehlers, G. Garlea, O. Granroth, G. E. Graves-Brook, M. Kolesnikov, A. I. Podlesnyak, A. Winn, B. TI A comparison of four direct geometry time-of-flight spectrometers at the Spallation Neutron Source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID CHOPPER SPECTROMETER AB The Spallation Neutron Source at Oak Ridge National Laboratory now hosts four direct geometry time-of-flight chopper spectrometers. These instruments cover a range of wave-vector and energy transfer space with varying degrees of neutron flux and resolution. The regions of reciprocal and energy space available to measure at these instruments are not exclusive and overlap significantly. We present a direct comparison of the capabilities of this instrumentation, conducted by data mining the instrument usage histories, and specific scanning regimes. In addition, one of the common science missions for these instruments is the study of magnetic excitations in condensed matter systems. We have measured the powder averaged spin wave spectra in one particular sample using each of these instruments, and use these data in our comparisons. (C) 2014 AIP Publishing LLC. C1 [Stone, M. B.; Abernathy, D. L.; Ehlers, G.; Garlea, O.; Podlesnyak, A.; Winn, B.] Oak Ridge Natl Lab, Quantum Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. [Niedziela, J. L.; DeBeer-Schmitt, L.; Graves-Brook, M.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA. [Granroth, G. E.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA. [Kolesnikov, A. I.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Stone, MB (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RI Granroth, Garrett/G-3576-2012; Stone, Matthew/G-3275-2011; Abernathy, Douglas/A-3038-2012; DeBeer-Schmitt, Lisa/I-3313-2015; Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Kolesnikov, Alexander/I-9015-2012; Podlesnyak, Andrey/A-5593-2013; Winn, Barry/A-5065-2016; Garlea, Vasile/A-4994-2016; BL18, ARCS/A-3000-2012 OI Granroth, Garrett/0000-0002-7583-8778; Stone, Matthew/0000-0001-7884-9715; Abernathy, Douglas/0000-0002-3533-003X; DeBeer-Schmitt, Lisa/0000-0001-9679-3444; Ehlers, Georg/0000-0003-3513-508X; Kolesnikov, Alexander/0000-0003-1940-4649; Podlesnyak, Andrey/0000-0001-9366-6319; Winn, Barry/0000-0001-6383-4318; Garlea, Vasile/0000-0002-5322-7271; FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX 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. D. L. Abernathy thanks J. M. Carpenter for suggestions regarding the modified Ikeda-Carpenter function described in the text. NR 39 TC 22 Z9 22 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 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 045113 DI 10.1063/1.4870050 PG 13 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600079 PM 24784665 ER PT J AU Sun, CJ Zhang, BM Brewe, DL Chen, JS Chow, GM Venkatesan, T Heald, SM AF Sun, Cheng-Jun Zhang, Bangmin Brewe, Dale L. Chen, Jing-Sheng Chow, G. M. Venkatesan, T. Heald, Steve M. TI Note: Application of a pixel-array area detector to simultaneous single crystal x-ray diffraction and x-ray absorption spectroscopy measurements SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID FINE-STRUCTURE; SCATTERING AB X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) are two main x-ray techniques in synchrotron radiation facilities. In this Note, we present an experimental setup capable of performing simultaneous XRD and XAS measurements by the application of a pixel-array area detector. For XRD, the momentum transfer in specular diffraction was measured by scanning the X-ray energy with fixed incoming and outgoing x-ray angles. By selecting a small fixed region of the detector to collect the XRD signal, the rest of the area was available for collecting the x-ray fluorescence for XAS measurements. The simultaneous measurement of XRD and X-ray absorption near edge structure for Pr0.67Sr0.33MnO3 film was demonstrated as a proof of principle for future time-resolved pump-probe measurements. A static sample makes it easy to maintain an accurate overlap of the X-ray spot and laser pump beam. (C) 2014 AIP Publishing LLC. C1 [Sun, Cheng-Jun; Zhang, Bangmin; Brewe, Dale L.; Heald, Steve M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Zhang, Bangmin; Chen, Jing-Sheng; Chow, G. M.] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117575, Singapore. [Zhang, Bangmin; Venkatesan, T.] Natl Univ Singapore, NUSNNI Nanocore, Singapore 117411, Singapore. [Venkatesan, T.] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore. [Venkatesan, T.] Natl Univ Singapore, Dept Elect & Comp Engn, Singapore 117575, Singapore. RP Sun, CJ (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM cjsun@aps.anl.gov FU U.S. Department of Energy - Basic Energy Sciences; NSERC; University of Washington; Canadian Light Source; Advanced Photon Source; U.S. DOE [DE-AC02-06CH11357]; Ministry of Education, Singapore [R-284-000-107-112]; A*STAR [R-284-000-082-305] FX PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the U.S. Department of Energy - Basic Energy Sciences, a Major Resources Support grant from NSERC, the University of Washington, the Canadian Light Source, and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. Work at National University of Singapore is supported by Ministry of Education, Singapore under Grant No. R-284-000-107-112, and A*STAR under Grant No. R-284-000-082-305. G.M.C. also thanks the PNC/XSD facilities for his sabbatical support. NR 18 TC 0 Z9 0 U1 0 U2 11 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 046109 DI 10.1063/1.4871055 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600101 PM 24784687 ER PT J AU Thompson, CJ Martin, PF Chen, J Benezeth, P Schaef, HT Rosso, KM Felmy, AR Loring, JS AF Thompson, Christopher J. Martin, Paul F. Chen, Jeffrey Benezeth, Pascale Schaef, Herbert T. Rosso, Kevin M. Felmy, Andrew R. Loring, John S. TI Automated high-pressure titration system with in situ infrared spectroscopic detection SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID X-RAY-DIFFRACTION; SOCIETY SOURCE CLAYS; SUPERCRITICAL CARBON-DIOXIDE; CO2 SEQUESTRATION; BASE-LINE; MINERAL CARBONATION; MONTMORILLONITE; FORSTERITE; WATER; SPECTROMETRY AB A fully automated titration system with infrared detection was developed for investigating interfacial chemistry at high pressures. The apparatus consists of a high-pressure fluid generation and delivery system coupled to a high-pressure cell with infrared optics. A manifold of electronically actuated valves is used to direct pressurized fluids into the cell. Precise reagent additions to the pressurized cell are made with calibrated tubing loops that are filled with reagent and placed in-line with the cell and a syringe pump. The cell's infrared optics facilitate both transmission and attenuated total reflection (ATR) measurements to monitor bulk-fluid composition and solid-surface phenomena such as adsorption, desorption, complexation, dissolution, and precipitation. Switching between the two measurement modes is accomplished with moveable mirrors that direct the light path of a Fourier transform infrared spectrometer into the cell along transmission or ATR light paths. The versatility of the high-pressure IR titration system was demonstrated with three case studies. First, we titrated water into supercritical CO2 (scCO(2)) to generate an infrared calibration curve and determine the solubility of water in CO2 at 50 degrees C and 90 bar. Next, we characterized the partitioning of water between a montmorillonite clay and scCO(2) at 50 degrees C and 90 bar. Transmission-mode spectra were used to quantify changes in the clay's sorbed water concentration as a function of scCO(2) hydration, and ATR measurements provided insights into competitive residency of water and CO2 on the clay surface and in the interlayer. Finally, we demonstrated how time-dependent studies can be conducted with the system by monitoring the carbonation reaction of forsterite (Mg2SiO4) in water-bearing scCO(2) at 50 degrees C and 90 bar. Immediately after water dissolved in the scCO(2), a thin film of adsorbed water formed on the mineral surface, and the film thickness increased with time as the forsterite began to dissolve. However, after approximately 2.5 h, the trend reversed, and a carbonate precipitate began to form on the forsterite surface, exposing dramatic chemical changes in the thin-water film. Collectively, these applications illustrate how the high-pressure IR titration system can provide molecular-level information about the interactions between variably wet scCO(2) and minerals relevant to underground storage of CO2 (geologic carbon sequestration). The apparatus could also be utilized to study high-pressure interfacial chemistry in other areas such as catalysis, polymerization, food processing, and oil and gas recovery. (C) 2014 AIP Publishing LLC. C1 [Thompson, Christopher J.; Martin, Paul F.; Chen, Jeffrey; Schaef, Herbert T.; Rosso, Kevin M.; Felmy, Andrew R.; Loring, John S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Benezeth, Pascale] Univ Toulouse, CNRS, GET, F-31400 Toulouse, France. RP Thompson, CJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM chris.thompson@pnnl.gov RI BENEZETH, Pascale/H-7969-2014 OI BENEZETH, Pascale/0000-0002-1841-2383 FU U.S. Department of Energy (DOE), Office of Fossil Energy; Geosciences Research Program in the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Pacific Northwest National Laboratory's Carbon Sequestration Initiative; DOE's Office of Biological and Environmental Research; DOE [DE-AC06-76RLO-1830] FX This work was supported by the U.S. Department of Energy (DOE), Office of Fossil Energy, and by the Geosciences Research Program in the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Development of the instrumentation for this research was funded through Pacific Northwest National Laboratory's Carbon Sequestration Initiative, which was part of a Laboratory Directed Research and Development Program. Several of the experiments were performed using EMSL, the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research, and located at PNNL. PNNL is operated for DOE by Battelle Memorial Institute under Contract No. DE-AC06-76RLO-1830. NR 58 TC 7 Z9 7 U1 1 U2 33 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 044102 DI 10.1063/1.4870411 PG 11 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600044 PM 24784630 ER PT J AU Trott, WM Castaneda, JN Cooper, MA AF Trott, Wayne M. Castaneda, Jaime N. Cooper, Marcia A. TI ADL ORVIS: An air-delay-leg, line-imaging optically recording velocity interferometer system SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SHOCK-WAVE AB An interferometry system that enables acquisition of spatially resolved velocity-time profiles with very high velocity sensitivity has been designed and applied to two diverse, instructive experimental problems: (1) measurement of low-amplitude reverberations in laser-driven flyer plates and (2) measurement of ramp-wave profiles in symmetric impact studies of fused silica. The delay leg in this version of a line-imaging optically recording velocity interferometer system (ORVIS) consists of a long air path that includes relay optics to transmit the optical signal through the interferometer cavity. Target image quality from the delay path at the image recombination plane is preserved by means of a compact and flexible optical design utilizing two parabolic reflectors (serving as the relay optics) in a folded path. With an instrument tuned to a velocity per fringe constant of 22.4 m s(-1) fringe(-1), differences of 1-2 m s(-1) across the probe line segment can be readily distinguished. Measurements that capture small spatial variations in flyer velocity are presented and briefly discussed. In the fused silica impact experiments, the ramp-wave profile observed by this air-delay instrument compares favorably to the profile recorded simultaneously by a conventional line-imaging ORVIS. (C) 2014 AIP Publishing LLC. C1 [Trott, Wayne M.; Castaneda, Jaime N.; Cooper, Marcia A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Cooper, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM macoope@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Lloyd Bonzon, Leanna Minier, and operations personnel at the Sandia National Laboratories Explosive Components Facility gas gun for their help and cooperation in the execution of the experiments described here. In particular, the excellent technical assistance of John Liwski and Heidi Anderson is gratefully acknowledged. The authors would like to thank Juan Romero and Cathy Sifford for their talented assistance in preparation of the flyer/substrate fixtures. 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. Approved for unlimited release, SAND2014-0171J. NR 17 TC 2 Z9 2 U1 1 U2 8 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 045118 DI 10.1063/1.4871588 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600084 PM 24784670 ER PT J AU Volegov, P Danly, CR Fittinghoff, DN Grim, GP Guler, N Izumi, N Ma, T Merrill, FE Warrick, AL Wilde, CH Wilson, DC AF Volegov, P. Danly, C. R. Fittinghoff, D. N. Grim, G. P. Guler, N. Izumi, N. Ma, T. Merrill, F. E. Warrick, A. L. Wilde, C. H. Wilson, D. C. TI Neutron source reconstruction from pinhole imaging at National Ignition Facility (vol 85, 023508, 2014) SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Correction C1 [Volegov, P.; Danly, C. R.; Grim, G. P.; Guler, N.; Merrill, F. E.; Wilde, C. H.; Wilson, D. C.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Fittinghoff, D. N.; Izumi, N.; Ma, T.; Warrick, A. L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Volegov, P (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. RI IZUMI, Nobuhiko/J-8487-2016 OI IZUMI, Nobuhiko/0000-0003-1114-597X NR 4 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 049902 DI 10.1063/1.4871590 PG 1 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600108 ER PT J AU Webera, TE Intrator, TP AF Webera, T. E. Intrator, T. P. TI A compact fast ionization gauge for in situ measurement of high-density neutral flow dynamics SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID HYDROGEN; TUNGSTEN AB A compact ionization gauge has been developed to carry out in situ measurements of high density (10(20)-10(22) m(-3)) neutral gas flow dynamics with high temporal and spatial resolution. Key design aspects are discussed including gauge sensitivity and time response scaling with decreased probe dimensions, high-pressure operation, improved driver circuit bandwidth, and techniques for constructing a miniaturized probe head. Gas adsorption was discovered to significantly alter emission current and gauge sensitivity over timescales of several seconds. This effect must be taken into consideration when making time-resolved, high-density measurements. Over short timescales gauge response was predicted by scaling the sensitivity of a nominal Bayard-Alpert gauge to account for variations in probe dimensions and species-dependent ionization cross-section. Time-resolved neutral density profiles have been acquired in the Magnetized Shock Experiment at Los Alamos National Laboratory, providing data on the initial conditions of the ionization, plasmoid formation, and translation processes. It is shown that the desired density profiles can be achieved using a dynamic gas fill and that density can be scaled independently of the spatial profile. (C) 2014 AIP Publishing LLC. C1 [Webera, T. E.; Intrator, T. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Webera, TE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM tweber@lanl.gov FU Office of Fusion Energy Sciences; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25369] FX The authors wish to acknowledge the help of research assistants D. Pulliam and T. M. Hutchinson. This work was supported by the Office of Fusion Energy Sciences and National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25369. Approved for public release, LA-UR-14-21478. NR 16 TC 1 Z9 1 U1 5 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 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 043501 DI 10.1063/1.4869873 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600015 PM 24784601 ER PT J AU Zappala, JC Bailey, K Lu, ZT O'Connor, TP Jiang, W AF Zappala, J. C. Bailey, K. Lu, Z-T O'Connor, T. P. Jiang, W. TI Note: Efficient generation of optical sidebands at GHz with a high-power tapered amplifier SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID MICROWAVE MODULATION; DIODE-LASER AB Two methods using a laser-diode tapered amplifier to produce high-power, high-efficiency optical frequency sidebands over a wide tunable frequency range are studied and compared. For a total output of 500 mW at 811 nm, 20% of the power can be placed in each of the first-order sidebands. Functionality and characterization are presented within the sideband frequency region of 0.8-2.3 GHz, and it is shown that both methods can be applied beyond this frequency range. These methods provide a versatile and effective tool for atomic physics experiments. (C) 2014 AIP Publishing LLC. C1 [Zappala, J. C.; Bailey, K.; Lu, Z-T; O'Connor, T. P.; Jiang, W.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Zappala, J. C.; Lu, Z-T] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Zappala, J. C.; Lu, Z-T] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Jiang, W (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM wjiang@phy.anl.gov RI Jiang, Wei/E-5582-2011 FU Department of Energy, Office of Nuclear Physics [DEAC02-06CH11357] FX We thank P. Mueller for many helpful discussions. This work is supported by Department of Energy, Office of Nuclear Physics, under Contract No. DEAC02-06CH11357. NR 11 TC 0 Z9 0 U1 0 U2 5 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 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2014 VL 85 IS 4 AR 046104 DI 10.1063/1.4870412 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA AH1ZN UT WOS:000335920600096 PM 24784682 ER PT J AU Vorpahl, F Strobel, M Jonkman, JM Larsen, TJ Passon, P Nichols, J AF Vorpahl, Fabian Strobel, Michael Jonkman, Jason M. Larsen, Torben J. Passon, Patrik Nichols, James TI Verification of aero-elastic offshore wind turbine design codes under IEA Wind Task XXIII SO WIND ENERGY LA English DT Article DE offshore wind turbine; aero-servo-hydro-elastic analysis; code verification; monopile; tripod; floating spar buoy ID WAVES; MODEL AB This work presents the results of a benchmark study on aero-servo-hydro-elastic codes for offshore wind turbine dynamic simulation. The codes verified herein account for the coupled dynamic systems including the wind inflow, aerodynamics, elasticity and controls of the turbine, along with the incident waves, sea current, hydrodynamics and foundation dynamics of the support structure.A large set of time series simulation results such as turbine operational characteristics, external conditions, and load and displacement outputs was compared and interpreted. Load cases were defined and run with increasing complexity to trace back differences in simulation results to the underlying error sources. This led to a deeper understanding of the underlying physical systems. In four subsequent phasesdealing with a 5-MW turbine on a monopile with a fixed foundation, a monopile with a flexible foundation, a tripod and a floating spar buoythe latest support structure developments in the offshore wind energy industry are covered, and an adaptation of the codes to those developments was initiated.The comparisons, in general, agreed quite well. Differences existed among the predictions were traced back to differences in the model fidelity, aerodynamic implementation, hydrodynamic load discretization and numerical difficulties within the codes. The comparisons resulted in a more thorough understanding of the modeling techniques and better knowledge of when various approximations are not valid. More importantly, the lessons learned from this exercise have been used to further develop and improve the codes of the participants and increase the confidence in the codes' accuracy and the correctness of the results, hence improving the standard of offshore wind turbine modeling and simulation.One purpose of this paper is to summarize the lessons learned and present results that code developers can compare to. The set of benchmark load cases defined and simulated during the course of this projectthe raw data for this paperis available to the offshore wind turbine simulation community and is already being used for testing newly developed software tools. Despite that no measurements are included, the large number of participants and thein generalvery fine level of agreement indicate high trustworthy results within the physical assumptions of the codes and the simulation cases chosen. Other cases, such as large prebend flexible blades, large wind shear, large yaw error or transient maneuvers, may not show the same level of agreement. These cases were deliberately left out because the focus is on the specific offshore application. Further on, this benchmark study includes participating codes and organizations by name (contrary to several previous benchmark studies) that gives the reader a chance to find results from one particular code of interest.Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Vorpahl, Fabian; Strobel, Michael] Fraunhofer Inst Wind Energy & Energy Syst Technol, D-27572 Bremerhaven, Germany. [Jonkman, Jason M.] Natl Renewable Energy Lab, Golden, CO USA. [Larsen, Torben J.] Riso DTU Natl Lab Sustainable Energy, Roskilde, Denmark. [Passon, Patrik] Ramboll Wind Energy, Esbjerg, Denmark. [Nichols, James] GL Garrad Hassan, Bristol, Avon, England. RP Vorpahl, F (reprint author), Fraunhofer Inst Wind Energy & Energy Syst Technol, Seedeich 45, D-27572 Bremerhaven, Germany. EM fabian.vorpahl@fraunhofer.iwes.de RI Larsen, Torben/C-7104-2011 OI Larsen, Torben/0000-0001-6741-5057 NR 41 TC 9 Z9 9 U1 2 U2 16 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1095-4244 EI 1099-1824 J9 WIND ENERGY JI Wind Energy PD APR PY 2014 VL 17 IS 4 BP 519 EP 547 DI 10.1002/we.1588 PG 29 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA AD1ZF UT WOS:000333031500002 ER PT J AU Crawford, TM Schaffer, KK Bhattacharya, S Aird, KA Benson, BA Bleem, LE Carlstrom, JE Chang, CL Cho, HM Crites, AT de Haan, T Dobbs, MA Dudley, J George, EM Halverson, NW Holder, GP Holzapfel, WL Hoover, S Hou, Z Hrubes, JD Keisler, R Knox, L Lee, AT Leitch, EM Lueker, M Luong-Van, D McMahon, JJ Mehl, J Meyer, SS Millea, M Mocanu, LM Mohr, JJ Montroy, TE Padin, S Plagge, T Pryke, C Reichardt, CL Ruhl, JE Sayre, JT Shaw, L Shirokoff, E Spieler, HG Staniszewski, Z Stark, AA Story, KT van Engelen, A Vanderlinde, K Vieira, JD Williamson, R Zahn, O AF Crawford, T. M. Schaffer, K. K. Bhattacharya, S. Aird, K. A. Benson, B. A. Bleem, L. E. Carlstrom, J. E. Chang, C. L. Cho, H-M. Crites, A. T. de Haan, T. Dobbs, M. A. Dudley, J. George, E. M. Halverson, N. W. Holder, G. P. Holzapfel, W. L. Hoover, S. Hou, Z. Hrubes, J. D. Keisler, R. Knox, L. Lee, A. T. Leitch, E. M. Lueker, M. Luong-Van, D. McMahon, J. J. Mehl, J. Meyer, S. S. Millea, M. Mocanu, L. M. Mohr, J. J. Montroy, T. E. Padin, S. Plagge, T. Pryke, C. Reichardt, C. L. Ruhl, J. E. Sayre, J. T. Shaw, L. Shirokoff, E. Spieler, H. G. Staniszewski, Z. Stark, A. A. Story, K. T. van Engelen, A. Vanderlinde, K. Vieira, J. D. Williamson, R. Zahn, O. TI A MEASUREMENT OF THE SECONDARY-CMB AND MILLIMETER-WAVE-FOREGROUND BISPECTRUM USING 800 deg(2) OF SOUTH POLE TELESCOPE DATA SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic background radiation; cosmology: observations; methods: data analysis ID MICROWAVE BACKGROUND ANISOTROPIES; PROBE WMAP OBSERVATIONS; ATACAMA COSMOLOGY TELESCOPE; ZELDOVICH POWER SPECTRUM; SPT-SZ SURVEY; STAR-FORMING GALAXIES; X-RAY OBSERVATIONS; NUMBER COUNTS; IMPROVED CONSTRAINTS; PRESSURE PROFILES AB We present a measurement of the angular bispectrum of the millimeter-wave sky in observing bands centered at roughly 95, 150, and 220 GHz, on angular scales of 1' less than or similar to theta less than or similar to 10' (multipole number 1000 less than or similar to l less than or similar to 10,000). At these frequencies and angular scales, the main contributions to the bispectrum are expected to be the thermal Sunyaev-Zel'dovich (tSZ) effect and emission from extragalactic sources, predominantly dusty, star-forming galaxies (DSFGs) and active galactic nuclei. We measure the bispectrum in 800 deg(2) of three-band South Pole Telescope data, and we use a multi-frequency fitting procedure to separate the bispectrum of the tSZ effect from the extragalactic source contribution. We simultaneously detect the bispectrum of the tSZ effect at > 10 sigma, the unclustered component of the extragalactic source bispectrum at > 5 sigma in each frequency band, and the bispectrum due to the clustering of DSFGs-i.e., the clustered cosmic infrared background (CIB) bispectrum-at > 5 sigma. This is the first reported detection of the clustered CIB bispectrum. We use the measured tSZ bispectrum amplitude, compared to model predictions, to constrain the normalization of the matter power spectrum to be s sigma = 0.787 +/- 0.031 and to predict the amplitude of the tSZ power spectrum at l = 3000. This prediction improves our ability to separate the thermal and kinematic contributions to the total SZ power spectrum. The addition of bispectrum data improves our constraint on the tSZ power spectrum amplitude by a factor of two compared to power spectrum measurements alone and demonstrates a preference for a nonzero kinematic SZ ( kSZ) power spectrum, with a derived constraint on the kSZ amplitude at l = 3000 of A(kSZ) = 2.9 +/- 1.6 mu K-2, or A(kSZ) = 2.6 +/- 1.8 mu K-2 if the default AkSZ > 0 prior is removed. C1 [Crawford, T. M.; Schaffer, K. K.; Bhattacharya, S.; Benson, B. A.; Bleem, L. E.; Carlstrom, J. E.; Chang, C. L.; Crites, A. T.; Hoover, S.; Keisler, R.; Leitch, E. M.; Mehl, J.; Meyer, S. S.; Mocanu, L. M.; Padin, S.; Plagge, T.; Story, K. T.; Williamson, R.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Crawford, T. M.; Carlstrom, J. E.; Crites, A. T.; Leitch, E. M.; Meyer, S. S.; Mocanu, L. M.; Padin, S.; Plagge, T.; Williamson, R.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Schaffer, K. K.; Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Meyer, S. S.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Schaffer, K. K.] Sch Art Inst Chicago, Liberal Arts Dept, Chicago, IL 60603 USA. [Bhattacharya, S.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Aird, K. A.; Hrubes, J. D.; Luong-Van, D.] Univ Chicago, Chicago, IL 60637 USA. [Bleem, L. E.; Carlstrom, J. E.; Hoover, S.; Keisler, R.; Meyer, S. S.; Story, K. T.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Carlstrom, J. E.; Chang, C. L.; Mehl, J.] Argonne Natl Lab, Argonne, IL 60439 USA. [Cho, H-M.] NIST Quantum Devices Grp, Boulder, CO 80305 USA. [de Haan, T.; Dobbs, M. A.; Dudley, J.; Holder, G. P.; Shaw, L.; van Engelen, A.; Vanderlinde, K.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [George, E. M.; Holzapfel, W. L.; Lee, A. T.; Reichardt, C. L.; Shirokoff, E.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Halverson, N. W.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [Halverson, N. W.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Hou, Z.; Knox, L.; Millea, M.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Lee, A. T.; Spieler, H. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Lueker, M.; Padin, S.; Vieira, J. D.] CALTECH, Pasadena, CA 91125 USA. [McMahon, J. J.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Mohr, J. J.] Univ Munich, Dept Phys, D-81679 Munich, Germany. [Mohr, J. J.] Excellence Cluster Universe, D-85748 Garching, Germany. [Mohr, J. J.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Montroy, T. E.; Ruhl, J. E.; Sayre, J. T.; Staniszewski, Z.] Case Western Reserve Univ, Ctr Educ & Res Cosmol & Astrophys, Dept Phys, Cleveland, OH 44106 USA. [Pryke, C.] Univ Minnesota, Dept Phys, Minneapolis, MN 55455 USA. [Stark, A. A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Zahn, O.] Univ Calif Berkeley, Dept Phys, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Zahn, O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Crawford, TM (reprint author), Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. EM tcrawfor@kicp.uchicago.edu RI Williamson, Ross/H-1734-2015; Holzapfel, William/I-4836-2015; OI Williamson, Ross/0000-0002-6945-2975; Aird, Kenneth/0000-0003-1441-9518; Reichardt, Christian/0000-0003-2226-9169; Stark, Antony/0000-0002-2718-9996 FU National Science Foundation [ANT-0638937]; NSF [PHY-1125897, AST-1009811, 0709498]; Kavli Foundation; Gordon and Betty Moore Foundation; National Sciences and Engineering Research Council of Canada; Canada Research Chairs program; Canadian Institute for Advanced Research; NASA Hubble Fellowship [HF-51275.01]; KICP Fellowship; Alfred P. Sloan Research Fellowship; BCCP fellowship; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; University of Chicago Computing-Cooperative (UC3); Open Science Grid, NSF [PHY-1148698]; NASA Office of Space Science; [AST-1009012] FX The SPT is supported by the National Science Foundation through grant ANT-0638937, with partial support provided by NSF grant PHY-1125897, the Kavli Foundation, and the Gordon and Betty Moore Foundation. The McGill group acknowledges funding from the National Sciences and Engineering Research Council of Canada, Canada Research Chairs program, and the Canadian Institute for Advanced Research. Work at Harvard is supported by grant AST-1009012. S. Bhattacharya acknowledges support from NSF grant AST-1009811, R. Keisler from NASA Hubble Fellowship grant HF-51275.01, B. Benson from a KICP Fellowship, M. Dobbs from an Alfred P. Sloan Research Fellowship, O. Zahn from a BCCP fellowship, and L. Knox and M. Millea from NSF grant 0709498.; Some of the results in this paper have been derived using the HEALPix (Gorski et al. 2005) package. This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and resources of the University of Chicago Computing-Cooperative (UC3), supported in part by the Open Science Grid, NSF grant PHY-1148698. We acknowledge the use of the Legacy Archive for Microwave Background Data Analysis (LAMBDA). Support for LAMBDA is provided by the NASA Office of Space Science. NR 88 TC 20 Z9 20 U1 1 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 APR 1 PY 2014 VL 784 IS 2 AR 143 DI 10.1088/0004-637X/784/2/143 PG 21 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AG6HJ UT WOS:000335519400058 ER PT J AU Fuselier, SA Allegrini, F Bzowski, M Dayeh, MA Desai, M Funsten, HO Galli, A Heirtzler, D Janzen, P Kubiak, MA Kucharek, H Lewis, W Livadiotis, G McComas, DJ Mobius, E Petrinec, SM Quinn, M Schwadron, N Sokol, JM Trattner, KJ Wood, BE Wurz, P AF Fuselier, S. A. Allegrini, F. Bzowski, M. Dayeh, M. A. Desai, M. Funsten, H. O. Galli, A. Heirtzler, D. Janzen, P. Kubiak, M. A. Kucharek, H. Lewis, W. Livadiotis, G. McComas, D. J. Moebius, E. Petrinec, S. M. Quinn, M. Schwadron, N. Sokol, J. M. Trattner, K. J. Wood, B. E. Wurz, P. TI LOW ENERGY NEUTRAL ATOMS FROM THE HELIOSHEATH SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM: atoms; plasmas; solar wind; Sun: heliosphere ID INTERSTELLAR-BOUNDARY-EXPLORER; PICK-UP IONS; INNER HELIOSHEATH; SOLAR-WIND; TERMINATION SHOCK; ALPHA ABSORPTION; IBEX RIBBON; VOYAGER 1; IN-SITU; PLASMA AB In the heliosheath beyond the termination shock, low energy (< 0.5 keV) neutral atoms are created by charge exchange with interstellar neutrals. Detecting these neutrals from Earth's orbit is difficult because their flux is reduced substantially by ionization losses as they propagate from about 100 to 1 AU and because there are a variety of other signals and backgrounds that compete with this weak signal. Observations from IBEX-Lo and -Hi from two opposing vantage points in Earth's orbit established a lower energy limit of about 0.1 keV on measurements of energetic neutral atoms (ENAs) from the heliosphere and the form of the energy spectrum from about 0.1 to 6 keV in two directions in the sky. Below 0.1 keV, the detailed ENA spectrum is not known, and IBEX provides only upper limits on the fluxes. However, using some assumptions and taking constraints on the spectrum into account, we find indications that the spectrum turns over at an energy between 0.1 and 0.2 keV. C1 [Fuselier, S. A.; Allegrini, F.; Dayeh, M. A.; Desai, M.; Lewis, W.; Livadiotis, G.; McComas, D. J.] SW Res Inst, San Antonio, TX 78228 USA. [Fuselier, S. A.; Allegrini, F.; Desai, M.; McComas, D. J.] Univ Texas San Antonio, San Antonio, TX 78249 USA. [Bzowski, M.; Kubiak, M. A.; Sokol, J. M.] Polish Acad Sci, Space Res Ctr, PL-00716 Warsaw, Poland. [Funsten, H. O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Galli, A.; Wurz, P.] Univ Bern, Inst Phys, CH-3012 Bern, Switzerland. [Heirtzler, D.; Kucharek, H.; Moebius, E.; Quinn, M.; Schwadron, N.] Univ New Hampshire, Durham, NH 03824 USA. [Janzen, P.] Univ Montana, Missoula, MT 59812 USA. [Petrinec, S. M.; Trattner, K. J.] Lockheed Martin Adv Technol Ctr, Palo Alto, CA 94304 USA. [Wood, B. E.] Naval Res Lab, Washington, DC 20375 USA. RP Fuselier, SA (reprint author), SW Res Inst, 6220 Culebra Rd, San Antonio, TX 78228 USA. EM sfuselier@swri.edu; fallegrini@swri.edu; bzowski@cbk.waw.pl; maldayeh@swri.org; mdesai@swri.edu; hfunsten@lanl.gov; andre.galli@space.unibe.ch; dheirtzl@atlas.sr.unh.edu; paul.janzen@umontana.edu; mkubiak@cbk.waw.pl; harald.kucharek@unh.edu; wlewis@swri.edu; george.livadiotis@swri.org; dmccomas@swri.edu; eberhard.moebius@unh.edu; steven.m.petrinec@lmco.com; marty@drsri.com; n.schwadron@unh.edu; jsokol@cbk.waw.pl; karlheinz.trattner@lasp.colorado.edu; brian.wood@nrl.navy.mil; peter.wurz@space.unibe.ch RI Funsten, Herbert/A-5702-2015; Sokol, Justyna/K-2892-2015; OI Funsten, Herbert/0000-0002-6817-1039; Moebius, Eberhard/0000-0002-2745-6978 FU NASA's Explorer program; Polish National Science Center [2012-06-M-ST9-00455] FX Support for this study comes from NASA's Explorer program. IBEX is the result of efforts from a large number of scientists, engineers, and others. All who contributed to this mission share in its success. Solar wind data used to determine the IMF conditions, and the choice of lobe intervals in this study are from the ACE spacecraft solar wind monitors (PIs: D. McComas and E. Smith) via the CDAWeb. The authors from SRC PAS were supported by grant 2012-06-M-ST9-00455 from the Polish National Science Center. NR 56 TC 15 Z9 15 U1 0 U2 11 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 APR 1 PY 2014 VL 784 IS 2 AR 89 DI 10.1088/0004-637X/784/2/89 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AG6HJ UT WOS:000335519400004 ER PT J AU Johnson, BM AF Johnson, Bryan M. TI ON THE INTERACTION BETWEEN TURBULENCE AND A PLANAR RAREFACTION SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: clusters: intracluster medium; intergalactic medium; ISM: general; turbulence ID RICHTMYER-MESHKOV INSTABILITY; SHOCK-WAVE; ENTROPY FLUCTUATIONS; CONTRACTING STREAM; GALAXY CLUSTERS; FLOWS; SIMULATIONS; DESTRUCTION; DISTORTION; CLOUDS AB The modeling of turbulence, whether it be numerical or analytical, is a difficult challenge. Turbulence is amenable to analysis with linear theory if it is subject to rapid distortions, i.e., motions occurring on a timescale that is short compared to the timescale for nonlinear interactions. Such an approach (referred to as rapid distortion theory) could prove useful for understanding aspects of astrophysical turbulence, which is often subject to rapid distortions, such as supernova explosions or the free-fall associated with gravitational instability. As a proof of principle, a particularly simple problem is considered here: the evolution of vorticity due to a planar rarefaction in an ideal gas. Analytical solutions are obtained for incompressive modes having a wave vector perpendicular to the distortion; as in the case of gradient-driven instabilities, these are the modes that couple most strongly to the mean flow. Vorticity can either grow or decay in the wake of a rarefaction front, and there are two competing effects that determine which outcome occurs: entropy fluctuations couple to the mean pressure gradient to produce vorticity via baroclinic effects, whereas vorticity is damped due to the conservation of angular momentum as the fluid expands. Whether vorticity grows or decays depends upon the ratio of entropic to vortical fluctuations at the location of the front; growth occurs if this ratio is of order unity or larger. In the limit of purely entropic fluctuations in the ambient fluid, a strong rarefaction generates vorticity with a turbulent Mach number on the order of the rms of the ambient entropy fluctuations. The analytical results are shown to compare well with results from two- and three-dimensional numerical simulations. Analytical solutions are also derived in the linear regime of Reynolds-averaged turbulence models. This highlights an inconsistency in standard turbulence models that prevents them from accurately capturing the physics of rarefaction-turbulence interaction. In addition to providing physical insight, the solutions derived here can be used to verify algorithms of both the Reynolds-averaged and direct numerical simulation variety. Finally, dimensional analysis of the equations indicates that rapid distortion of turbulence can give rise to two distinct regimes in the turbulent spectrum: a distortion range at large scales where linear distortion effects dominate, and an inertial range at small scales where nonlinear effects dominate. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Johnson, BM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. FU Lawrence Livermore National Security, LLC, (LLNS) [DE-AC52-07NA27344] FX I thank Oleg Schilling and Matthew Kunz for their comments, and the referee for several helpful suggestions that greatly improved the manuscript. This work was performed under the auspices of Lawrence Livermore National Security, LLC, (LLNS) under Contract No. DE-AC52-07NA27344. NR 46 TC 1 Z9 1 U1 2 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 APR 1 PY 2014 VL 784 IS 2 AR 117 DI 10.1088/0004-637X/784/2/117 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AG6HJ UT WOS:000335519400032 ER PT J AU Xue, XX Ma, ZB Rix, HW Morrison, HL Harding, P Beers, TC Ivans, II Jacobson, HR Johnson, J Lee, YS Lucatello, S Rockosi, CM Sobeck, JS Yanny, B Zhao, G Prieto, CA AF Xue, Xiang-Xiang Ma, Zhibo Rix, Hans-Walter Morrison, Heather L. Harding, Paul Beers, Timothy C. Ivans, Inese I. Jacobson, Heather R. Johnson, Jennifer Lee, Young Sun Lucatello, Sara Rockosi, Constance M. Sobeck, Jennifer S. Yanny, Brian Zhao, Gang Prieto, Carlos Allende TI THE SEGUE K GIANT SURVEY. II. A CATALOG OF DISTANCE DETERMINATIONS FOR THE SEGUE K GIANTS IN THE GALACTIC HALO SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: individual (Milky Way); Galaxy: halo; stars: distances; stars: individual (K giants) ID DIGITAL SKY SURVEY; GLOBULAR-CLUSTER M92; WAY STELLAR HALO; MILKY-WAY; PROPER MOTIONS; SPECTROSCOPIC SURVEY; ELEMENT ABUNDANCES; CCD PHOTOMETRY; DATA RELEASE; FIELD STARS AB We present an online catalog of distance determinations for 6036 K giants, most of which are members of the Milky Way's stellar halo. Their medium-resolution spectra from the Sloan Digital Sky Survey/Sloan Extension for Galactic Understanding and Exploration are used to derive metallicities and rough gravity estimates, along with radial velocities. Distance moduli are derived from a comparison of each star's apparent magnitude with the absolute magnitude of empirically calibrated color-luminosity fiducials, at the observed (g - r)(0) color and spectroscopic [Fe/H]. We employ a probabilistic approach that makes it straightforward to properly propagate the errors in metallicities, magnitudes, and colors into distance uncertainties. We also fold in prior information about the giant-branch luminosity function and the different metallicity distributions of the SEGUE K-giant targeting sub-categories. We show that the metallicity prior plays a small role in the distance estimates, but that neglecting the luminosity prior could lead to a systematic distance modulus bias of up to 0.25 mag, compared to the case of using the luminosity prior. We find a median distance precision of 16%, with distance estimates most precise for the least metal-poor stars near the tip of the red giant branch. The precision and accuracy of our distance estimates are validated with observations of globular and open clusters. The stars in our catalog are up to 125 kpc from the Galactic center, with 283 stars beyond 50 kpc, forming the largest available spectroscopic sample of distant tracers in the Galactic halo. C1 [Xue, Xiang-Xiang; Rix, Hans-Walter] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Xue, Xiang-Xiang; Zhao, Gang] Chinese Acad Sci, Natl Astron Observ, Key Lab Opt Astron, Beijing 100012, Peoples R China. [Ma, Zhibo; Morrison, Heather L.; Harding, Paul] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. [Beers, Timothy C.] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Beers, Timothy C.] Univ Notre Dame, JINA, Dept Phys, Notre Dame, IN 46556 USA. [Ivans, Inese I.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Jacobson, Heather R.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48823 USA. [Jacobson, Heather R.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [Johnson, Jennifer] 4055 McPherson Lab, Dept Astron, Columbus, OH 43210 USA. [Johnson, Jennifer] Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Lee, Young Sun] New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. [Lucatello, Sara] Osserv Astron Padova, I-35122 Padua, Italy. [Rockosi, Constance M.] Univ Calif Santa Cruz, Lick Observ, Santa Cruz, CA 95060 USA. [Sobeck, Jennifer S.] Univ Nice Sophia Antipolis, Lab Lagrange UMR7293, CNRS, Observ Cote Azur, F-06304 Nice 04, France. [Sobeck, Jennifer S.] Univ Chicago, JINA, Chicago, IL 60637 USA. [Sobeck, Jennifer S.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Yanny, Brian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Prieto, Carlos Allende] Inst Astrofis Canarias, E-38205 Tenerife, Spain. [Prieto, Carlos Allende] Univ La Laguna, Dept Astrofis, E-38206 Tenerife, Spain. RP Xue, XX (reprint author), Max Planck Inst Astron, Konigstuhl 17, D-69117 Heidelberg, Germany. FU MaxPlanck-Institute forAstronomy; National Natural Science Foundation of China [11103031, 11233004, 11390371, 11003017]; DFG's [SFB881]; NSF [AST- 0098435]; U.S. National Science Foundation; National Science Foundation [AST- 0901919] FX This work was made possible by the support of the MaxPlanck-Institute forAstronomy; by the National Natural Science Foundation of China under grant Nos. 11103031, 11233004, 11390371, and 11003017; and by the Young Researcher Grant of National Astronomical Observatories, Chinese Academy of Sciences. This paper was partially supported by the DFG's SFB881 grant " The Milky Way System."; X.- X. X. acknowledges the Alexandra Von Humboldt foundation for a fellowship.; H. L. M. acknowledges funding of this work from NSF grant AST- 0098435.; Y. S. L. and T. C. B. acknowledge partial support of this work from grants PHY 02- 16783 and PHY 08- 22648: Physics Frontier Center/Joint Institute for Nuclear Astrophysics ( JINA), awarded by the U.S. National Science Foundation.; H. R. J. acknowledges support from the National Science Foundation under award number AST- 0901919.; J. J. acknowledges NSF grants AST- 0807997 and AST- 0707948.; S. L.' s reasearch is partially supported by the INAF PRIN grant " Multiple populations in Globular Clusters: their role in the Galaxy assembly." NR 58 TC 25 Z9 25 U1 0 U2 3 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 APR 1 PY 2014 VL 784 IS 2 AR 170 DI 10.1088/0004-637X/784/2/170 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AG6HJ UT WOS:000335519400085 ER PT J AU Yan, SA Tang, MH Zhao, W Guo, HX Zhang, WL Xu, XY Wang, XD Ding, H Chen, JW Li, Z Zhou, YC AF Yan Shao-An Tang Ming-Hua Zhao Wen Guo Hong-Xia Zhang Wan-Li Xu Xin-Yu Wang Xu-Dong Ding Hao Chen Jian-Wei Li Zheng Zhou Yi-Chun TI Single event effect in a ferroelectric-gate field-effect transistor under heavy-ion irradiation SO CHINESE PHYSICS B LA English DT Article DE single event effect; heavy ion irradiation; charge collection; ferroelectric memory; FeFET ID BIPOLAR AMPLIFICATION AB The single event effect in ferroelectric-gate field-effect transistor (FeFET) under heavy ion irradiation is investigated in this paper. The simulation results show that the transient responses are much lower in a FeFET than in a conventional metal-oxide-semiconductor field-effect transistor (MOSFET) when the ion strikes the channel. The main reason is that the polarization-induced charges (the polarization direction here is away from the silicon surface) bring a negative surface potential which will affect the distribution of carriers and charge collection in different electrodes significantly. The simulation results are expected to explain that the FeFET has a relatively good immunity to single event effect. C1 [Yan Shao-An; Tang Ming-Hua; Zhang Wan-Li; Xu Xin-Yu; Wang Xu-Dong; Ding Hao; Chen Jian-Wei; Zhou Yi-Chun] Xiangtan Univ, Key Lab Low Dimens Mat & Applicat Technol, Minist Educ, Xiangtan 411105, Peoples R China. [Zhao Wen; Guo Hong-Xia] Northwest Inst Nucl Technol, Xian 710024, Peoples R China. [Li Zheng] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Yan, SA (reprint author), Xiangtan Univ, Key Lab Low Dimens Mat & Applicat Technol, Minist Educ, Xiangtan 411105, Peoples R China. EM yanshaoan@126.com; mhtang@xtu.edu.cn FU Key Project of the National Natural Science Foundation of China [11032010]; National Natural Science Foundation of China [51072171, 61274107, 61176093, 11275163]; Program for Changjiang Scholars and Innovative Research Team in University, China [IRT1080]; 973 Program, China [2012CB326404]; Key Project of Natural Science Foundation of Hunan Province, China [13JJ2023]; Key Project of Scientific Research Fund of Education Department of Hunan Province, China [12A129]; Innovation Foundation of Hunan Province of China for Postgraduate, China [CX2013B261]; Doctoral Program of Higher Education of China [20104301110001]; Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, China FX Project supported by the Key Project of the National Natural Science Foundation of China (Grant No. 11032010), the National Natural Science Foundation of China (Grant Nos. 51072171, 61274107, 61176093, and 11275163), the Program for Changjiang Scholars and Innovative Research Team in University, China (Grant No. IRT1080), the 973 Program, China (Grant No. 2012CB326404), the Key Project of Natural Science Foundation of Hunan Province, China (Grant No. 13JJ2023), the Key Project of Scientific Research Fund of Education Department of Hunan Province, China (Grant No. 12A129), the Innovation Foundation of Hunan Province of China for Postgraduate, China (Grant No. CX2013B261), the Doctoral Program of Higher Education of China (Grant No. 20104301110001), and the Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, China. NR 15 TC 3 Z9 3 U1 1 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1674-1056 EI 1741-4199 J9 CHINESE PHYS B JI Chin. Phys. B PD APR PY 2014 VL 23 IS 4 AR 046104 DI 10.1088/1674-1056/23/4/046104 PG 5 WC Physics, Multidisciplinary SC Physics GA AG8CL UT WOS:000335646200056 ER PT J AU Hong, MQ Wang, YQ Ren, F Zhang, HX Fu, DJ Yang, B Xiao, XH Jiang, CZ AF Hong, Mengqing Wang, Yongqiang Ren, Feng Zhang, Hongxiu Fu, Dejun Yang, Bing Xiao, Xiangheng Jiang, Changzhong TI Helium release and amorphization resistance in ion irradiated nanochannel films SO EPL LA English DT Article ID PLASMA-FACING COMPONENTS; STRUCTURAL-MATERIALS; FUSION; REACTORS AB Volumetric swelling, surface blistering, exfoliation and embrittlement partially induced by the aggregation of gas bubbles are serious problems for materials in nuclear reactors. This letter demonstrates that the "vein-like" nanochannel films possess greater He management capability and radiation tolerance. For a given fluence, the He bubble size in the nanochannel film decreases with increasing the nanochannel density. For a given nanochannel density, the bubble size increases with increasing fluence initially but levels off to a maximum value of 0.8nm after the ion fluence reaches 2 x 10(17) ions/cm(2), corresponding to He release ratio of 79% in the irradiated CrN RT films. The abundant surfaces in the nanochannel films are perfect defect sinks and thereby large sized He bubbles and supersaturated defects are less likely to be developed in these high radiation tolerant materials. Copyright (C) EPLA, 2014 C1 [Hong, Mengqing; Ren, Feng; Zhang, Hongxiu; Fu, Dejun; Xiao, Xiangheng; Jiang, Changzhong] Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Peoples R China. [Hong, Mengqing; Ren, Feng; Zhang, Hongxiu; Fu, Dejun; Xiao, Xiangheng; Jiang, Changzhong] Wuhan Univ, Ctr Ion Beam Applicat, Wuhan 430072, Peoples R China. [Wang, Yongqiang] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Yang, Bing] Wuhan Univ, Sch Power & Mech Engn, Wuhan 430072, Peoples R China. RP Ren, F (reprint author), Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Peoples R China. EM fren@whu.edu.cn RI Fu, Dejun/O-4080-2014; Ren, Feng/F-9778-2014; Jiang, Changzhong/O-6273-2014; OI Ren, Feng/0000-0002-9557-5995; xiao, xiangheng/0000-0001-9111-1619 FU Natural Science Foundation of China [11175133, 91026014]; Foundations from Chinese Ministry of Education [20110141130004, 311002, NCET-13-0438]; Hubei Provincial Natural Science Foundation [2012FFLambda042] FX The authors acknowledge the Natural Science Foundation of China (11175133, 91026014), the Foundations from Chinese Ministry of Education (20110141130004, 311002, NCET-13-0438), Hubei Provincial Natural Science Foundation (2012FF Lambda 042) for financial support. We thank Prof. M. DEMKOWICZ of MIT for fruitful discussions. YQW acknowledges the partial support from the Center for Integrated Nanotechnologies, a DOE nanoscience user facility, jointly operated by Los Alamos and Sandia National Laboratories. NR 19 TC 1 Z9 1 U1 0 U2 22 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PD APR PY 2014 VL 106 IS 1 AR 12001 DI 10.1209/0295-5075/106/12001 PG 6 WC Physics, Multidisciplinary SC Physics GA AG8GR UT WOS:000335657300004 ER PT J AU Cecil, J Jones, J AF Cecil, J. Jones, James TI VREM: An advanced virtual environment for micro assembly SO INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY LA English DT Article DE Micro assembly; Virtual reality environments; Cyber frameworks ID DEVICES; SYSTEM AB Micro assembly involves the assembly of micron-sized devices. Given the complexity of this domain, the role of virtual environments becomes important as they provide a basis to propose and compare assembly alternatives virtually prior to physical assembly. This paper proposes an integrated approach which includes the use of virtual reality-based assembly environments that interface with physical micro assembly environments. Such an approach can be an intrinsic part of a collaborative manufacturing framework that seeks to support the rapid assembly of micro devices. In this paper, the design of VREM (Virtual Reality based Environment for Micro Assembly) is discussed which is based on this integrated approach involving use of virtual and physical resources. C1 [Cecil, J.] Oklahoma State Univ, Ctr Informat Centr Engn, Sch Ind Engn, Stillwater, OK 74078 USA. [Jones, James] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Cecil, J (reprint author), Oklahoma State Univ, Ctr Informat Centr Engn, Sch Ind Engn, Stillwater, OK 74078 USA. EM j.cecil@okstate.edu FU National Science Foundation (NSF) [0965153, 0951421, 1032359, 1256431]; Sandia National Laboratories; Los Alamos National Laboratory; Oklahoma State University (OSU) from the Office of Provost at OSU FX This research work was supported through grants from the National Science Foundation (NSF Grants 0965153, 0951421, 1032359, and 1256431), Sandia National Laboratories and Los Alamos National Laboratory. Other grants were provided by Oklahoma State University (OSU) including an Interdisciplinary Grants program from the Office of Provost at OSU. NR 35 TC 7 Z9 7 U1 2 U2 18 PU SPRINGER LONDON LTD PI LONDON PA 236 GRAYS INN RD, 6TH FLOOR, LONDON WC1X 8HL, ENGLAND SN 0268-3768 EI 1433-3015 J9 INT J ADV MANUF TECH JI Int. J. Adv. Manuf. Technol. PD APR PY 2014 VL 72 IS 1-4 SI SI BP 47 EP 56 DI 10.1007/s00170-014-5618-9 PG 10 WC Automation & Control Systems; Engineering, Manufacturing SC Automation & Control Systems; Engineering GA AG9LG UT WOS:000335740100007 ER PT J AU Verba, C O'Connor, W Rush, G Palandri, J Reed, M Ideker, J AF Verba, Circe O'Connor, William Rush, Gilbert Palandri, James Reed, Mark Ideker, Jason TI Geochemical alteration of simulated wellbores of CO2 injection sites within the Illinois and Pasco Basins SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Basalt; Sandstone; Class H Portland cement; CO2 sequestration ID GEOLOGIC SEQUESTRATION CONDITIONS; PARTIAL MOLAL PROPERTIES; COLUMBIA RIVER BASALT; CARBON-DIOXIDE; WELL CEMENT; THERMODYNAMIC PROPERTIES; HIGH-PRESSURES; DEGRADATION; STANDARD; GASES AB Geologic carbon sequestration is being considered in target basalt and sandstone formations. The chemical effects of CO2 exposure on the interface between Class H Portland cement paste and Grande Ronde Columbia River basalt, or between cement paste and Mt. Simon sandstone, has been examined at a microstructural level. This bonding interface is a potential leakage pathway for CO2 along a wellbore. The salinities of the formation solutions, basaltic Pasco Basin formation water (0.013 M), whereas the sandstone Illinois Basin brine (1.28 M), play a large role in CO2 solubility and cement alteration. Experimental cement-rock-fluid charges were held at 35 degrees C and Pco(2), = 10 MPa for up to 84 days, conditions under which the fluids are CO2-saturated. The basalt-cement experiment had similar to 1 mm alteration at the interface and high levels of alteration of the cement paste exterior. The sandstone sample displayed less alteration at the cement paste interface. Geochemical modeling conducted with CHIM-XPT calculated the pH of the Pasco brine solution (basalt only) to be 12.23 with 50 g of CO2 (104 bar) and 161 g (306 bar). The pH of the Pasco solution (cement + basalt) started with at 11.82 and ended at 4.52 after 136g of CO2(g) dissolved in solution, resulting in the precipitation of magnesite, calcite, and siderite. The basalt has high capacity to convert CO2 into minerals. The Illinois Basin brine containing Mt. Simon sandstone and cement paste never exceeded a pH of 5.8, had an estimated 139 g of CO2 with high capacity to store aqueous and brine-saturated CO2 and a lower risk of alteration to hardened cement paste. Published by Elsevier Ltd. C1 [Verba, Circe; O'Connor, William; Rush, Gilbert] US DOE, Natl Technol Lab, Albany, OR 97321 USA. [Verba, Circe; Palandri, James; Reed, Mark] Univ Oregon, Dept Geol Sci, Eugene, OR 97403 USA. [Ideker, Jason] Oregon State Univ, Corvallis, OR 97311 USA. RP Verba, C (reprint author), US DOE, Natl Technol Lab, Albany, OR 97321 USA. EM Circe.Verba@netl.doe.gov; bcoregon@msn.com; hen3ry@smt-net.com; palandri@uoregon.edu; mhreed@uoregon.edu; ideker@oregonstate.edu FU U.S. DOE National Energy Technology Laboratory FX This work was supported by the Carbon Sequestration Program of the U.S. DOE National Energy Technology Laboratory. Special thanks to the NETL Seal Integrity team, Barbara Kutchko, Paul Danielson, Corinne Disenhof, Athena Lieuallen, and the reviewers for contributions. This report was prepared as an account of work sponsored by an agency of the United Sates 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 48 TC 5 Z9 5 U1 0 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD APR PY 2014 VL 23 BP 119 EP 134 DI 10.1016/j.ijggc.2014.01.015 PG 16 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA AG7VU UT WOS:000335627700013 ER PT J AU Mackaman-Lofland, C Brand, BD Taddeucci, J Wohletz, K AF Mackaman-Lofland, Chelsea Brand, Brittany D. Taddeucci, Jacopo Wohletz, Kenneth TI Sequential fragmentation/transport theory, pyroclast size-density relationships, and the emplacement dynamics of pyroclastic density currents - A case study on the Mt. St. Helens (USA) 1980 eruption SO JOURNAL OF VOLCANOLOGY AND GEOTHERMAL RESEARCH LA English DT Article DE Pyroclastic density currents; Pyroclastic deposits; Sequential fragmentation/transport theory; Particle size-density relationships; Mt. St. Helens ID FLOWS; TRANSPORT; IGNIMBRITES; WASHINGTON; DEPOSITS; VOLCANO; DISTRIBUTIONS; DISPERSAL; PUMICE; FACIES AB Pyroclastic density currents (PDCs) are the most dangerous hazard associated with explosive volcanic eruptions. Despite recent advancements in the general understanding of PDC dynamics, limited direct observation and/or outcrop scarcity often hinder the interpretation of specific transport and depositional processes at many volcanoes. This study explores the potential of sequential fragmentation/transport theory (SFT; cf. Wohletz et al., 1989), a modeling method capable of predicting particle mass distributions based on the physical principles of fragmentation and transport, to retrieve the transport and depositional dynamics of well-characterized PDCs from the size and density distributions of individual components within the deposits. The extensive vertical and lateral exposures through the May 18th, 1980 PDC deposits at Mt. St. Helens (MSH) provide constraints on PDC regimes and flow boundary conditions at specific locations across the depositional area. Application to MSH deposits suggests that SFT parameter distributions can be effectively used to characterize flow boundary conditions and emplacement processes for a variety of PDC lithofacies and deposit locations. Results demonstrate that (1) the SFT approach reflects particle fragmentation and transport mechanisms regardless of variations in initial component distributions, consistent with results from previous studies; (2) SFT analysis reveals changes in particle characteristics that are not directly observable in grain size and fabric data; and (3) SFT parameters are more sensitive to regional transport conditions than local (outcrop-scale) depositional processes. The particle processing trends produced using SFT analysis are consistent with the degree of particle processing inferred from lithofacies architectures: for all lithofacies examined in this study, suspension sedimentation products exhibit much better processing than concentrated current deposits. Integrated field observations and SFT results provide evidence for increasing density segregation within the depositional region of the currents away from source, as well as for comparable density-segregation processes acting on lithic concentrations and pumice lenses within the current. These findings further define and reinforce the capability of SFT analysis to complement more conventional PDC study methods, significantly expanding the information gained regarding flow dynamics. Finally, this case study demonstrates that the SFT methodology has the potential to constrain regional flow conditions at volcanoes where outcrop exposures are limited. (C) 2014 Elsevier B.V. All rights reserved. C1 [Mackaman-Lofland, Chelsea; Brand, Brittany D.] Univ Washington, Dept Earth & Space Sci, Seattle, WA 98195 USA. [Brand, Brittany D.] Boise State Univ, Dept Geosci, Boise, ID 83725 USA. [Taddeucci, Jacopo] Inst Nazl Geofis & Vulcanol, Rome, Italy. [Wohletz, Kenneth] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mackaman-Lofland, C (reprint author), Univ Washington, Dept Earth & Space Sci, Seattle, WA 98195 USA. EM chelsm42@outlook.com OI Taddeucci, Jacopo/0000-0002-0516-3699 FU National Science Foundation [NSF-EAR 0948588] FX Funding for this work was provided through a National Science Foundation grant (NSF-EAR 0948588). The authors would like to thank Dr. Ulrich Kueppers and Dr. Pablo Davila Harris for their thorough and constructive reviews, and JVGR Editor Joan Marti for additional guidance that helped us improve the manuscript. NR 45 TC 4 Z9 4 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0377-0273 EI 1872-6097 J9 J VOLCANOL GEOTH RES JI J. Volcanol. Geotherm. Res. PD APR 1 PY 2014 VL 275 BP 1 EP 13 DI 10.1016/j.jvo1geores.2014.01.016 PG 13 WC Geosciences, Multidisciplinary SC Geology GA AG7WE UT WOS:000335628700001 ER PT J AU Kumar, N Radhakrishnan, A Wright, CC Chou, TH Lei, HT Bolla, JR Tringides, ML Rajashankar, KR Su, CC Purdy, GE Yu, EW AF Kumar, Nitin Radhakrishnan, Abhijith Wright, Catherine C. Chou, Tsung-Han Lei, Hsiang-Ting Bolla, Jani Reddy Tringides, Marios L. Rajashankar, Kanagalaghatta R. Su, Chih-Chia Purdy, Georgiana E. Yu, Edward W. TI Crystal structure of the transcriptional regulator Rv1219c of Mycobacterium tuberculosis SO PROTEIN SCIENCE LA English DT Article DE Mycobacterium tuberculosis; transcriptional regulation; Rv1219c multidrug efflux regulator; multidrug resistance ID DRUG-RESISTANT TUBERCULOSIS; ESCHERICHIA-COLI; EFFLUX PUMP; COMPLEX; RECOGNITION; EVOLUTION; TRANSPORT; BACTERIA; SYSTEM; FAMILY AB The Rv1217c-Rv1218c multidrug efflux system, which belongs to the ATP-binding cassette superfamily, recognizes and actively extrudes a variety of structurally unrelated toxic chemicals and mediates the intrinsic resistance to these antimicrobials in Mycobacterium tuberculosis. The expression of Rv1217c-Rv1218c is controlled by the TetR-like transcriptional regulator Rv1219c, which is encoded by a gene immediately upstream of rv1218c. To elucidate the structural basis of Rv1219c regulation, we have determined the crystal structure of Rv1219c, which reveals a dimeric two-domain molecule with an entirely helical architecture similar to members of the TetR family of transcriptional regulators. The N-terminal domains of the Rv1219c dimer are separated by a large center-to-center distance of 64 angstrom. The C-terminal domain of each protomer possesses a large cavity. Docking of small compounds to Rv1219c suggests that this large cavity forms a multidrug binding pocket, which can accommodate a variety of structurally unrelated antimicrobial agents. The internal wall of the multidrug binding site is surrounded by seven aromatic residues, indicating that drug binding may be governed by aromatic stacking interactions. In addition, fluorescence polarization reveals that Rv1219c binds drugs in the micromolar range. C1 [Kumar, Nitin; Radhakrishnan, Abhijith; Lei, Hsiang-Ting; Bolla, Jani Reddy; Tringides, Marios L.; Yu, Edward W.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Wright, Catherine C.; Purdy, Georgiana E.] Oregon Hlth & Sci Univ, Dept Mol Microbiol & Immunol, Portland, OR 97239 USA. [Chou, Tsung-Han; Su, Chih-Chia; Yu, Edward W.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, Dept Chem & Chem Biol, Argonne, IL 60439 USA. RP Yu, EW (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM ewyu@iastate.edu FU NIH [R01AI087840, R01GM086431]; National Institute of General Medical Sciences [GM103403] FX Grant sponsor: NIH; Grant numbers: R01AI087840 (G. E. P.) and R01GM086431 (E.W.Y.). Grant sponsor: National Institute of General Medical Sciences; Grant number: GM103403. NR 38 TC 4 Z9 4 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD APR PY 2014 VL 23 IS 4 BP 423 EP 432 DI 10.1002/pro.2424 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AD3MM UT WOS:000333143800009 PM 24424575 ER PT J AU Benson, A Zane, M Becker, TE Visser, A Uriostegui, SH DeRubeis, E Moran, JE Esser, BK Clark, JF AF Benson, Andrew Zane, Matthew Becker, Timothy E. Visser, Ate Uriostegui, Stephanie H. DeRubeis, Elizabeth Moran, Jean E. Esser, Bradley K. Clark, Jordan F. TI Quantifying Reaeration Rates in Alpine Streams Using Deliberate Gas Tracer Experiments SO WATER LA English DT Article DE xenon; sulfur hexafluoride; field tracer experiment; reaeration; dissolved oxygen; alpine stream ID EXCHANGE RATES; NOBLE-GASES; OXYGEN; WATER; RIVER AB Gas exchange across the air-water interface is a critical process that maintains adequate dissolved oxygen (DO) in the water column to support life. Oxygen reaeration rates can be accurately measured using deliberate gas tracers, like sulfur hexafluoride (SF6) or xenon (Xe). Two continuous release experiments were conducted in different creeks in the Sierra Nevada of California: Sagehen Creek in September, 2009, using SF6 and Martis Creek in August, 2012, using both SF6 and Xe. Measuring gas loss along the creek, which was approximated with the one-dimensional advection-dispersion equation, allows for the estimation of the SF6 or Xe reaeration coefficient (K-SF6, K-Xe), which is converted to DO reaeration (K-DO or K-2) using Schmidt numbers. Mean K-SF6 for upper and lower Sagehen and Martis Creeks were, respectively, 34 day(-1), 37 day(-1) and 33 day(-1), with corresponding K(DO)s of 61 day(-1), 66 day(-1) and 47 day(-1). In Martis Creek, K-Xe was slightly higher (21%) than K-SF6, but the calculated K-DO from SF6 agreed with the calculated K-DO from Xe within about 15%; this difference may be due to bubble-enhanced gas transfer. Established empirical equations of K-DO using stream characteristics did a poor job predicting K-DO for both creeks. C1 [Benson, Andrew; Clark, Jordan F.] Univ Calif Santa Barbara, Environm Studies Program, Santa Barbara, CA 93106 USA. [Zane, Matthew; Becker, Timothy E.; Uriostegui, Stephanie H.; Clark, Jordan F.] Univ Calif Santa Barbara, Dept Earth Sci, Santa Barbara, CA 93106 USA. [Visser, Ate; Uriostegui, Stephanie H.; Esser, Bradley K.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94551 USA. [DeRubeis, Elizabeth; Moran, Jean E.] Calif State Univ East Bay, Dept Earth & Environm Sci, Hayward, CA 94542 USA. RP Clark, JF (reprint author), Univ Calif Santa Barbara, Environm Studies Program, Santa Barbara, CA 93106 USA. EM abvg6691@gmail.com; mattzane@msn.com; timothy.e.becker@gmail.com; visser3@llnl.gov; stephanieuriostegui@umail.ucsb.edu; ederubeis75@gmail.com; jean.moran@csueastbay.edu; esser1@llnl.gov; jfclark@geol.ucsb.edu RI Visser, Ate/G-8826-2012 FU California Energy Commission Public Interest Energy Research (PIER) Project [PIR-08-010]; WateReuse Research Foundation [WRF 09-11]; State of California Groundwater Ambient Monitoring & Assessment (GAMA) Special Studies Program; Lawrence Livermore National Laboratory Lawrence (LLNL) Scholar Program; LLNL [DE-AC52-07NA27344] FX We would like to thank Tom Gleeson (McGill University) and Andrew Manning (USGS, Denver, CO, USA) for their help with collecting samples and measuring stream transects. We are grateful to Sagehen Creek Field Station; especially, station manager Jeff Brown, for technical and logistical assistance. Gina Lee helped with some concepts and GIS. We are also grateful for the time and effort of the two anonymous reviewers. Their comments helped to improve the paper substantially. Financial support for this project was provided by the California Energy Commission Public Interest Energy Research (PIER) Project PIR-08-010, the WateReuse Research Foundation project WRF 09-11, the State of California Groundwater Ambient Monitoring & Assessment (GAMA) Special Studies Program, and the Lawrence Livermore National Laboratory Lawrence (LLNL) Scholar Program. Parts of this project were performed by LLNL under Contract DE-AC52-07NA27344. NR 37 TC 5 Z9 6 U1 8 U2 23 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2073-4441 J9 WATER-SUI JI Water PD APR PY 2014 VL 6 IS 4 BP 1013 EP 1027 DI 10.3390/w6041013 PG 15 WC Water Resources SC Water Resources GA AG9TD UT WOS:000335761800015 ER PT J AU Fournee, V Gaudry, E Ledieu, J de Weerd, MC Wu, DM Lograsso, T AF Fournee, Vincent Gaudry, Emilie Ledieu, Julian de Weerd, Marie-Cecile Wu, Dongmei Lograsso, Thomas TI Self-Organized Molecular Films with Long-Range Quasiperiodic Order SO ACS NANO LA English DT Article DE C-60; self-assembly; quasiperiodic order; scanning tunneling microscopy; density functional theory; 5-fold symmetry ID SURFACES; CRYSTAL; C-60 AB Self-organized molecular films with long-range quasiperiodic order have been grown by using the complex potential energy landscape of quasicrystalline surfaces as templates. The long-range order arises from a specific subset of quasilattice sites acting as preferred adsorption sites for the molecules, thus enforcing a quasiperiodic structure in the film. These adsorption sites exhibit a local 5-fold symmetry resulting from the cut by the surface plane through the cluster units identified in the bulk solid. Symmetry matching between the C-60 fullerene and the substrate leads to a preferred adsorption configuration of the molecules with a pentagonal face down, a feature unique to quasicrystalline surfaces, enabling efficient chemical bonding at the molecule-substrate interface. This finding offers opportunities to investigate the physical properties of model 2D quasiperiodic systems, as the molecules can be functionalized to yield architectures with tailor-made properties. C1 [Fournee, Vincent; Gaudry, Emilie; Ledieu, Julian; de Weerd, Marie-Cecile] Univ Lorraine, CNRS, UMR 7198, Inst Jean Lamour, F-54042 Nancy, France. [Wu, Dongmei; Lograsso, Thomas] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Fournee, V (reprint author), Univ Lorraine, CNRS, UMR 7198, Inst Jean Lamour, Parc Saurupt, F-54042 Nancy, France. EM vincent.fournee@univ-lorraine.fr RI Ledieu, Julian/F-1430-2010; Gaudry, Emilie/G-9682-2011 FU ANR CAPRICE [2011-INTB-1001-01]; European C-MAC consortium; U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering [DE-AC02-07CH11358] FX M.C.d.W., D.M.W., and T.A.L. prepared the single crystals. V.F. and J.L. performed the experiments, while E.G. made the DFT calculations. V.F. wrote the paper, and all authors commented on the manuscript We thank M. Krajci for providing the structural model of the 2/1 rational approximant to the Al-Pd-Mn icosahedral QC. V.F, E.G., J.L., and M.C.d.W. acknowledge support by the ANR CAPRICE 2011-INTB-1001-01 and the European C-MAC consortium. T.A.L. and D.M.W. acknowledge support by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-07CH11358. NR 28 TC 10 Z9 10 U1 0 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2014 VL 8 IS 4 BP 3646 EP 3653 DI 10.1021/nn500234j PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AF8UH UT WOS:000334990600058 PM 24649931 ER PT J AU Shin, N Chi, MF Filler, MA AF Shin, Naechul Chi, Miaofang Filler, Michael A. TI Interplay between Defect Propagation and Surface Hydrogen in Silicon Nanowire Kinking Superstructures SO ACS NANO LA English DT Article DE silicon; nanowire; kinking; defects; surface; hydrogen ID SEMICONDUCTOR NANOWIRES; DIFFRACTION PATTERNS; GROWTH DIRECTION; HETEROSTRUCTURES; TRANSISTORS; GENERATION; MORPHOLOGY; BIOPROBES; PHASE AB Semiconductor nanowire kinking superstructures, particularly those with long-range structural coherence, remain difficult to fabricate. Here, we combine high-resolution electron microscopy with operand infrared spectroscopy to show why this is the case for Si nanowires and, in doing so, reveal the interplay between defect propagation and surface chemistry during < 211 > -> < 111 > and < 211 > -> < 211 > kinking. Our experiments show that adsorbed hydrogen atoms are responsible for selecting < 211 >-oriented growth and indicate that a twin boundary imparts structural coherence. The twin boundary, only continuous at < 211 > -> < 211 > kinks, reduces the symmetry of the trijunction and limits the number of degenerate directions available to the nanowire. These findings constitute a general approach for rationally engineering kinking superstructures and also provide important insight into the role of surface chemical bonding during vapor-liquid-solid synthesis. C1 [Shin, Naechul; Filler, Michael A.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Filler, MA (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM michael.filler@chbe.gatech.edu RI Chi, Miaofang/Q-2489-2015 OI Chi, Miaofang/0000-0003-0764-1567 FU National Science Foundation (CBET) [1133563]; ORNL's Shared Research Equipment (ShaRE) User Program; Office of Basic Energy Sciences, the U.S. Department of Energy FX The authors gratefully acknowledge support from the National Science Foundation (CBET #1133563). Research was supported by ORNL's Shared Research Equipment (ShaRE) User Program, which is sponsored by the Office of Basic Energy Sciences, the U.S. Department of Energy. NR 40 TC 9 Z9 9 U1 4 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2014 VL 8 IS 4 BP 3829 EP 3835 DI 10.1021/nn500598d PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AF8UH UT WOS:000334990600079 PM 24606150 ER PT J AU Chapline, G Mazur, PO AF Chapline, George Mazur, Pawel O. TI SUPERFLUID PICTURE FOR ROTATING SPACE-TIMES SO ACTA PHYSICA POLONICA B LA English DT Article ID CLASSICAL GENERAL-RELATIVITY; QUANTUM PHASE-TRANSITIONS; VORTEX LATTICES; SUPERCONDUCTORS; CONDENSATE; TURBULENCE AB A new prescription, in the framework of condensate models for spacetimes, for physical stationary gravitational fields is presented. We show that the spinning cosmic string metric describes the gravitational field associated with the single vortex in a superfiuid condensate model for space-time outside the vortex core. This metric differs significantly from the usual acoustic metric for the Onsager Feynman vortex. We also consider the question of what happens when many vortices are present, and show that on large scales a Godel-like metric emerges. In both the single and multiple vortex cases, the failure of general relativity exemplified by the presence of closed time-like curves is attributed to the breakdown of superfluid rigidity. C1 [Chapline, George] Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, Livermore, CA 94550 USA. [Mazur, Pawel O.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. RP Chapline, G (reprint author), Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, Livermore, CA 94550 USA. EM chapline1@llnl.gov; mazurmeister@gmail.com NR 45 TC 3 Z9 3 U1 0 U2 6 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 EI 1509-5770 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2014 VL 45 IS 4 BP 905 EP 916 DI 10.5506/APhysPolB.45.905 PG 12 WC Physics, Multidisciplinary SC Physics GA AG0QS UT WOS:000335121300005 ER PT J AU Li, Q Cao, R Cho, J Wu, G AF Li, Qing Cao, Ruiguo Cho, Jaephil Wu, Gang TI Nanocarbon Electrocatalysts for Oxygen Reduction in Alkaline Media for Advanced Energy Conversion and Storage SO ADVANCED ENERGY MATERIALS LA English DT Review DE oxygen reduction; electrocatalysis; alkaline media; metal-air batteries; fuel cells ID METAL-AIR BATTERIES; NITROGEN-DOPED GRAPHENE; MANGANESE OXIDE NANOPARTICLES; HIGHLY EFFICIENT ELECTROCATALYST; MEMBRANE FUEL-CELLS; ONION-LIKE CARBON; METHANOL ELECTROOXIDATION; CATHODE CATALYST; O-2 REDUCTION; COBALT OXIDE AB Alkaline oxygen electrocatalysis, targeting anion exchange membrane fuel cells, Zn-air batteries, and alkaline-based Li-air batteries, has become a subject of intensive investigation because of its advantages compared to its acidic counterparts in reaction kinetics and materials stability. However, significant breakthroughs in the design and synthesis of efficient oxygen reduction catalysts from earth-abundant elements instead of precious metals in alkaline media remain in high demand. Carbon composite materials have been recognized as the most promising because of their reasonable balance between catalytic activity, durability, and cost. In particular, heteroatom (e.g., N, S, B, or P) doping can tune the electronic and geometric properties of carbon, providing more active sites and enhancing the interaction between carbon structure and active sites. Importantly, involvement of transition metals appears to be necessary for achieving high catalytic activity and improved durability by catalyzing carbonization of nitrogen/carbon precursors to form highly graphitized carbon nanostructures with more favorable nitrogen doping. Recently, a synergetic effect was found between the active species in nanocarbon and the loaded oxides/sulfides, resulting in much improved activity. This report focuses on these carbon composite catalysts. Guidance for rational design and synthesis of advanced alkaline ORR catalysts with improved activity and performance durability is also presented. C1 [Li, Qing; Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Cao, Ruiguo; Cho, Jaephil] Ulsan Natl Inst Sci & Technol, Interdisciplinary Sch Green Energy, Ulsan 689798, South Korea. RP Cho, J (reprint author), Ulsan Natl Inst Sci & Technol, Interdisciplinary Sch Green Energy, Ulsan 689798, South Korea. EM jpcho@unist.ac.kr; wugang@lanl.gov RI Cho, Jaephil/E-4265-2010; Wu, Gang/E-8536-2010; Li, Qing/G-4502-2011; Cao, Ruiguo/O-7354-2016 OI Wu, Gang/0000-0003-4956-5208; Li, Qing/0000-0003-4807-030X; FU Los Alamos National Laboratory Early Career Laboratory-Directed Research and Development (LDRD) Program [20110483ER]; MSIP (Ministry of Science, ICT & Future Planning), Korea, under the C-ITRC (Convergence Information Technology Research Center) [NIPA-2013-H0301-13-1009] FX Q.L. and R. C. contributed equally to this work. Financial support from the Los Alamos National Laboratory Early Career Laboratory-Directed Research and Development (LDRD) Program (20110483ER) for this work is gratefully acknowledged. This research was also supported by the MSIP (Ministry of Science, ICT & Future Planning), Korea, under the C-ITRC (Convergence Information Technology Research Center) support program (NIPA-2013-H0301-13-1009) supervised by the NIPA (National IT Industry Promotion Agency). NR 130 TC 94 Z9 94 U1 81 U2 575 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD APR PY 2014 VL 4 IS 6 AR 1301415 DI 10.1002/aenm.201301415 PG 19 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AF5YH UT WOS:000334790000007 ER PT J AU Liao, C Han, KS Baggetto, L Hillesheim, DA Custelcean, R Lee, ES Guo, BK Bi, ZH Jiang, DE Veith, GM Hagaman, EW Brown, GM Bridges, C Paranthaman, MP Manthiram, A Dai, S Sun, XG AF Liao, Chen Han, Kee Sung Baggetto, Loic Hillesheim, Daniel A. Custelcean, Radu Lee, Eun-Sung Guo, Bingkun Bi, Zhonghe Jiang, De-en Veith, Gabriel M. Hagaman, Edward W. Brown, Gilbert M. Bridges, Craig Paranthaman, M. Parans Manthiram, Arumugam Dai, Sheng Sun, Xiao-Guang TI Synthesis and Characterization of Lithium Bis( fluoromalonato) borate for Lithium-Ion Battery Applications SO ADVANCED ENERGY MATERIALS LA English DT Article ID QUATERNARY AMMONIUM-SALTS; LIBOB-BASED ELECTROLYTES; PROPYLENE CARBONATE; PHYSICOCHEMICAL PROPERTIES; GRAPHITE; LIQUIDS; CHEMISTRY; DIFLUORO(OXALATO)BORATE; BIS(OXALATO)BORATE; ASSOCIATION AB A new orthochelated salt, lithium bis(monofluoromalonato)borate (LiBFMB), is synthesized and purified for application in lithium-ion batteries. The presence of fluorine in the borate anion of LiBFMB increases its oxidation potential and also facilitates ion dissociation, as reflected by the ratio of ionic conductivity (sigma(exp)) and ion diffusivity coefficients (sigma(NMR)). Half-cell tests using 5.0 V lithium nickel manganese oxide (LiNi0.5Mn1.5O4) as a cathode and ethylene carbonate (EC)/dimethyl carbonate (DMC)/diethyl carbonate (DEC)as a solvent reveals that the impedance of the LiBFMB cell is much larger than those of LiPF6- and lithium bis(oxalato)borate (LiBOB)-based cells, which results in lower capacity and poor cycling performance of the former. X-ray photoelectron spectroscopy (XPS) results for the cycled cathode electrode suggest that because of the stability of the LiBFMB salt, the solid electrolyte interphase (SEI) formed on the cathode surface is significantly different from those of LiPF6 and LiBOB based electrolytes, resulting in more solvent decomposition and a thicker SEI layer. Initial results also indicate that using a high dielectric constant solvent, propylene carbonate, alters the surface chemistry, reduces the interfacial impedance, and enhances the performance of LiBFMB-based 5.0 V cell. C1 [Liao, Chen; Han, Kee Sung; Hillesheim, Daniel A.; Custelcean, Radu; Guo, Bingkun; Bi, Zhonghe; Jiang, De-en; Hagaman, Edward W.; Brown, Gilbert M.; Bridges, Craig; Paranthaman, M. Parans; Dai, Sheng; Sun, Xiao-Guang] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Baggetto, Loic; Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Lee, Eun-Sung; Manthiram, Arumugam] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. [Lee, Eun-Sung; Manthiram, Arumugam] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Sun, XG (reprint author), Oak Ridge Natl Lab, Div Chem Sci, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM sunx@ornl.gov RI Guo, Bingkun/J-5774-2014; Jiang, De-en/D-9529-2011; Paranthaman, Mariappan/N-3866-2015; Custelcean, Radu/C-1037-2009; Dai, Sheng/K-8411-2015; Baggetto, Loic/D-5542-2017; OI Jiang, De-en/0000-0001-5167-0731; Han, Kee Sung/0000-0002-3535-1818; Paranthaman, Mariappan/0000-0003-3009-8531; Custelcean, Radu/0000-0002-0727-7972; Dai, Sheng/0000-0002-8046-3931; Baggetto, Loic/0000-0002-9029-2363; Liao, Chen/0000-0001-5168-6493 FU U.S. Department of Energy's Office of Basic Energy Science, Division of Materials Sciences and Engineering; U.S. Department of Energy's Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences FX This research was supported by the U.S. Department of Energy's Office of Basic Energy Science, Division of Materials Sciences and Engineering. The NMR work (K. S. H. and E. W. H.) and X-ray structural characterization (R.C.) were supported by the U.S. Department of Energy's Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences. NR 49 TC 10 Z9 11 U1 9 U2 147 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD APR PY 2014 VL 4 IS 6 AR 1301368 DI 10.1002/aenm.201301368 PG 12 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AF5YH UT WOS:000334790000015 ER PT J AU Mylavarapu, SK Sun, XD Glosup, RE Christensen, RN Patterson, MW AF Mylavarapu, Sai K. Sun, Xiaodong Glosup, Richard E. Christensen, Richard N. Patterson, Michael W. TI Thermal hydraulic performance testing of printed circuit heat exchangers in a high-temperature helium test facility SO APPLIED THERMAL ENGINEERING LA English DT Article DE High-temperature helium facility; PCHE; Compact heat exchangers; Very high-temperature reactors; High-temperature gas-cooled reactors ID TURBULENT; LAMINAR; DESIGN; PIPE; FLOW AB In high-temperature gas-cooled reactors, such as a very high temperature reactor (VHTR), an intermediate heat exchanger (IHX) is required to efficiently transfer the core thermal output to a secondary fluid for electricity generation with an indirect power cycle and/or process heat applications. Currently, there is no proven high-temperature (750-800 degrees C or higher) compact heat exchanger technology for high-temperature reactor design concepts. In this study, printed circuit heat exchanger (PCHE), a potential IHX concept for high-temperature applications, has been investigated for their heat transfer and pressure drop characteristics under high operating temperatures and pressures. Two PCHEs, each having 10 hot and 10 cold plates with 12 channels (semicircular cross-section) in each plate are fabricated using Alloy 617 plates and tested for their performance in a high-temperature helium test facility (HTHF). The PCHE inlet temperature and pressure were varied from 85 to 390 degrees C/1.0-2.7 MPa for the cold side and 208-790 degrees C/1.0-2.7 MPa for the hot side, respectively, while the mass flow rate of helium was varied from 15 to 49 kg/h. This range of mass flow rates corresponds to PCHE channel Reynolds numbers of 950 to 4100 for the cold side and 900 to 3900 for the hot side (corresponding to the laminar and laminar-to-turbulent transition flow regimes). The obtained experimental data have been analyzed for the pressure drop and heat transfer characteristics of the heat transfer surface of the PCHEs and compared with the available models and correlations in the literature. In addition, a numerical treatment of hydrodynamically developing and hydrodynamically fully-developed laminar flow through a semicircular duct is presented. Relations developed for determining the hydrodynamic entrance length in a semicircular duct and the friction factor (or pressure drop) in the hydrodynamic entry length region for laminar flow through a semicircular duct are given. Various hydrodynamic entrance region parameters, such as incremental pressure drop number, apparent Fanning friction factor, and hydrodynamic entrance length in a semicircular duct have been numerically estimated. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Mylavarapu, Sai K.; Sun, Xiaodong; Glosup, Richard E.; Christensen, Richard N.] Ohio State Univ, Dept Mech & Aerosp Engn, Nucl Engn Program, Columbus, OH 43210 USA. [Patterson, Michael W.] Idaho Natl Lab, Idaho Falls, ID USA. RP Mylavarapu, SK (reprint author), Ohio State Univ, Dept Mech & Aerosp Engn, Nucl Engn Program, Columbus, OH 43210 USA. EM mylavarapu.1@osu.edu; sun.200@osu.edu RI Sun, Xiaodong/F-3752-2015; OI Sun, Xiaodong/0000-0002-9852-160X; Patterson, Michael/0000-0002-8698-3284 FU U.S. Department of Energy; Idaho National Laboratory FX The support from the U.S. Department of Energy and Idaho National Laboratory for this research work is gratefully acknowledged. NR 20 TC 10 Z9 10 U1 5 U2 14 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 APR PY 2014 VL 65 IS 1-2 BP 605 EP 614 DI 10.1016/j.applthermaleng.2014.01.025 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA AG0IL UT WOS:000335099100066 ER PT J AU Guo, WD Trischuk, K Bi, XT Lim, CJ Sokhansanj, S AF Guo, Wendi Trischuk, Ken Bi, Xiaotao Lim, C. Jim Sokhansanj, Shahab TI Measurements of wood pellets self-heating kinetic parameters using isothermal calorimetry SO BIOMASS & BIOENERGY LA English DT Article DE Self-heating kinetic model; Isothermal calorimeter; Heat release rate measurement; Wood pellets decomposition; Spontaneous combustion ID OFF-GAS EMISSIONS; CARBON-MONOXIDE; STORAGE; TRANSPORTATION; TEMPERATURE; HEADSPACE; OXIDATION; IGNITION; SAWDUST; FUNGI AB Wood pellets release heat and gases during storage. A TAM air isothermal calorimeter was used to measure the rate of heat release by bulk pellets at temperatures ranging from 30 to 50 degrees C. The results showed that self-heating rate at the tested temperature range strongly depended on the reaction temperature and the age of pellets. Heat release rate increased as the reaction temperature increased but the rate was not sensitive to pellets moisture content. The activation energy of the self-heating reaction increased with the age of pellets. A simple global kinetic model for self-heating was developed from the experimental data. The model can be applied to simulate the self-heating process in pellets storage containers at different storage temperatures and age of stored pellets. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Guo, Wendi; Bi, Xiaotao; Lim, C. Jim; Sokhansanj, Shahab] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Trischuk, Ken] Natl Res Council Canada, Ottawa, ON, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Guo, WD (reprint author), Univ British Columbia, Dept Chem & Biol Engn, 2360 East Mall, Vancouver, BC V6T 1Z3, Canada. EM wendiguo@gmail.com FU Natural Sciences and Engineering Research Council of Canada [NSERC-CRDPJ342219-06]; Wood Pellet Association of Canada (WPAC) FX We would like to thank National Research Council of Canada (NRC) for the use of TAM instrument, Natural Sciences and Engineering Research Council of Canada (NSERC-CRDPJ342219-06) and Wood Pellet Association of Canada (WPAC) for financial support, and Princeton Co-Generation Corp, and Premium Pellet Ltd. for pellet samples. NR 32 TC 9 Z9 9 U1 3 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 EI 1873-2909 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PD APR PY 2014 VL 63 BP 1 EP 9 DI 10.1016/j.biombioe.2014.02.022 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AG2VP UT WOS:000335275500001 ER PT J AU Ciesielski, PN Wang, W Chen, XW Vinzant, TB Tucker, MP Decker, SR Himmel, ME Johnson, DK Donohoe, BS AF Ciesielski, Peter N. Wang, Wei Chen, Xiaowen Vinzant, Todd B. Tucker, Melvin P. Decker, Stephen R. Himmel, Michael E. Johnson, David K. Donohoe, Bryon S. TI Effect of mechanical disruption on the effectiveness of three reactors used for dilute acid pretreatment of corn stover Part 2: morphological and structural substrate analysis SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article DE Biomass conversion; Dilute acid pretreatment; Severity factor; Quantitative image analysis; Delamination; Nanofibrillation ID SCANNING-ELECTRON-MICROSCOPY; BIOMASS; SURFACE; ACCESSIBILITY; SWITCHGRASS; IMAGEJ; SIZE AB Background: Lignocellulosic biomass is a renewable, naturally mass-produced form of stored solar energy. Thermochemical pretreatment processes have been developed to address the challenge of biomass recalcitrance, however the optimization, cost reduction, and scalability of these processes remain as obstacles to the adoption of biofuel production processes at the industrial scale. In this study, we demonstrate that the type of reactor in which pretreatment is carried out can profoundly alter the micro-and nanostructure of the pretreated materials and dramatically affect the subsequent efficiency, and thus cost, of enzymatic conversion of cellulose. Results: Multi-scale microscopy and quantitative image analysis was used to investigate the impact of different biomass pretreatment reactor configurations on plant cell wall structure. We identify correlations between enzymatic digestibility and geometric descriptors derived from the image data. Corn stover feedstock was pretreated under the same nominal conditions for dilute acid pretreatment (2.0 wt% H2SO4, 160 degrees C, 5 min) using three representative types of reactors: ZipperClave (R) (ZC), steam gun (SG), and horizontal screw (HS) reactors. After 96 h of enzymatic digestion, biomass treated in the SG and HS reactors achieved much higher cellulose conversions, 88% and 95%, respectively, compared to the conversion obtained using the ZC reactor (68%). Imaging at the micro-and nanoscales revealed that the superior performance of the SG and HS reactors could be explained by reduced particle size, cellular dislocation, increased surface roughness, delamination, and nanofibrillation generated within the biomass particles during pretreatment. Conclusions: Increased cellular dislocation, surface roughness, delamination, and nanofibrillation revealed by direct observation of the micro-and nanoscale change in accessibility explains the superior performance of reactors that augment pretreatment with physical energy. C1 [Ciesielski, Peter N.; Wang, Wei; Vinzant, Todd B.; Decker, Stephen R.; Himmel, Michael E.; Johnson, David K.; Donohoe, Bryon S.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Chen, Xiaowen; Tucker, Melvin P.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Donohoe, BS (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM bryon.donohoe@nrel.gov RI chen, xiaowen/H-4823-2014 FU US Department of Energy Bioenergy Technologies Office (BETO); Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0000997] FX The pretreatment, digestibility, and surface characterization work was supported by the US Department of Energy Bioenergy Technologies Office (BETO). The quantitative image analysis development was supported as part of the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Award Number DE-SC0000997. NREL is a national laboratory of the US Department of Energy, Office of Energy Efficiency and Renewable Energy, operated by the Alliance for Sustainable Energy, LLC. NR 20 TC 19 Z9 19 U1 1 U2 25 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 APR 1 PY 2014 VL 7 AR 47 DI 10.1186/1754-6834-7-47 PG 11 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA AG5LT UT WOS:000335461200001 PM 24690534 ER PT J AU Rennie, EA Scheller, HV AF Rennie, Emilie A. Scheller, Henrik Vibe TI Xylan biosynthesis SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID SECONDARY CELL-WALL; MYB TRANSCRIPTION FACTORS; GLUCURONIC-ACID; BRACHYPODIUM-DISTACHYON; INCREASED RESISTANCE; VASCULAR TISSUE; MUTANTS REVEALS; O-ACETYLATION; FAMILY 8; ARABIDOPSIS AB Plant cells are surrounded by a rigid wall made up of cellulose microfibrils, pectins, hemicelluloses, and lignin. This cell wall provides structure and protection for plant cells. In grasses and in dicot secondary cell walls, the major hemicellulose is a polymer of beta-(1,4)-linked xylose units called xylan. Unlike cellulose which is synthesized by large complexes at the plasma membrane xylan is synthesized by enzymes in the Golgi apparatus. Xylan synthesis thus requires the coordinated action and regulation of these synthetic enzymes as well as others that synthesize and transport substrates into the Golgi. Recent research has identified several genes involved in xylan synthesis, some of which have already been used in engineering efforts to create plants that are better suited for biofuel production. C1 [Rennie, Emilie A.; Scheller, Henrik Vibe] Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA. [Rennie, Emilie A.; Scheller, Henrik Vibe] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Rennie, Emilie A.; Scheller, Henrik Vibe] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Scheller, HV (reprint author), Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA. EM hscheller@lbl.gov RI Scheller, Henrik/A-8106-2008 OI Scheller, Henrik/0000-0002-6702-3560 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-ACO2-05GH11231]; Lawrence Berkeley National Laboratory; U.S. Department of Energy; National Science Foundation Graduate Research Fellowship Program [DGE 1106400] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-ACO2-05GH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy, and by a National Science Foundation Graduate Research Fellowship Program Grant #DGE 1106400. NR 58 TC 58 Z9 60 U1 17 U2 121 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 EI 1879-0429 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD APR PY 2014 VL 26 BP 100 EP 107 DI 10.1016/j.copbio.2013.11.013 PG 8 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA AG0NF UT WOS:000335111500018 PM 24679265 ER PT J AU Eudes, A Liang, Y Mitra, P Loque, D AF Eudes, Aymerick Liang, Yan Mitra, Prajakta Loque, Dominique TI Lignin bioengineering SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID ZINC-FINGER NUCLEASES; FLUORESCENCE-TAGGED MONOLIGNOLS; ORCHID VANILLA-PLANIFOLIA; DNA-BINDING SPECIFICITY; IN-VITRO LIGNIFICATION; MAIZE CELL-WALLS; ALKALINE DELIGNIFICATION; UBIC GENE; BIOSYNTHESIS; ACID AB Lignin is one of the most abundant aromatic biopolymers and a major component of plant cell walls. It occurs via oxidative coupling of monolignols, which are synthesized from the phenylpropanoid pathway. Lignin is the primary material responsible for biomass recalcitrance, has almost no industrial utility, and cannot be simply removed from growing plants without causing serious developmental defects. Fortunately, recent studies report that lignin composition and distribution can be manipulated to a certain extent by using tissue-specific promoters to reduce its recalcitrance, change its biophysical properties, and increase its commercial value. Moreover, the emergence of novel synthetic biology tools to achieve biological control using genome bioediting technologies and tight regulation of transgene expression opens new doors for engineering. This review focuses on lignin bioengineering strategies and describes emerging technologies that could be used to generate tomorrow's bioenergy and biochemical crops. C1 [Eudes, Aymerick; Liang, Yan; Mitra, Prajakta; Loque, Dominique] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Eudes, Aymerick; Liang, Yan; Mitra, Prajakta; Loque, Dominique] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Loque, D (reprint author), Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA. EM dloque@lbl.gov RI Loque, Dominique/A-8153-2008; Liang, Yan/K-8199-2016 OI Liang, Yan/0000-0002-2144-1388 FU DOE Joint BioEnergy Institute - U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-ACO2-050H11231]; Lawrence Berkeley National Laboratory; U.S. Department of Energy FX We are thankful to Sabin Russell for editing this manuscript. This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-ACO2-050H11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. NR 74 TC 29 Z9 33 U1 2 U2 107 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 EI 1879-0429 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD APR PY 2014 VL 26 BP 189 EP 198 DI 10.1016/j.copbio.2014.01.002 PG 10 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA AG0NF UT WOS:000335111500029 PM 24607805 ER PT J AU Quinn, H AF Quinn, Heather TI Challenges in Testing Complex Systems SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Circuit testing; error analysis; radiation effects ID SINGLE-EVENT-UPSETS; CROSS-SECTION MEASUREMENTS; MICROELECTRONICS CODE; HARDNESS ASSURANCE; ERROR-CORRECTION; NM CMOS; SEU; FPGAS; DEVICES; DESIGNS AB Many space programs depend on cutting-edge technology to increase computational power without increasing the power or weight of the payload. For these types of programs, component testing is necessary to ensure that the components do not fail while deployed. Radiation testing for advanced technology components can be challenging since the underlying architecture and organization of the component might be complex. This paper will cover a review of component testing best practices for total ionizing dose and single-event effect testing from recent years. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Quinn, H (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM hquinn@lanl.gov FU Department of Energy Office of Nonproliferation Research and Development; U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported in part by the Department of Energy Office of Nonproliferation Research and Development. This work has been authored by an employee of the Los Alamos National Security, LLC (LANS), operator of the Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396 with the U.S. Department of Energy. The U.S. Government has rights to use, reproduce, and distribute this information. The public may copy and use this information without charge, provided that this notice and any statement of authorship are reproduced on all copies. Neither the Government nor LANS makes any warranty, express or implied, or assumes any liability or responsibility for the use of this information. The Los Alamos National Laboratory strongly supports academic freedom and a researcher's right to publish; therefore, the Laboratory as an institution does not endorse the viewpoint of a publication or guarantee its technical correctness. This paper is published under LA-UR-14-20345. NR 111 TC 9 Z9 9 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 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2014 VL 61 IS 2 BP 766 EP 786 DI 10.1109/TNS.2014.2302432 PG 21 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100009 ER PT J AU Bolotnikov, AE Bale, D Butcher, J Camarda, GS Cui, Y De Geronimo, G Fried, J Hossain, A Kim, KH Marshall, M Soldner, S Petryk, M Prokesch, M Vernon, E Yang, G James, RB AF Bolotnikov, A. E. Bale, D. Butcher, J. Camarda, G. S. Cui, Y. De Geronimo, G. Fried, J. Hossain, A. Kim, K. H. Marshall, M. Soldner, S. Petryk, M. Prokesch, M. Vernon, E. Yang, G. James, R. B. TI Comparison of Analog and Digital Readout Electronics on the Processing of Charge-Sharing Events in Pixelated CdZnTe Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE ASICs; CdZnTe; crystal defects; CZT detectors ID POSITION-SENSITIVE DETECTORS AB We present our results from testing 15 x 15 x 10 mm(3) CdZnTe pixelated detectors using a readout system based on the H3D ASIC. Data obtained with an uncollimated Cs-137 source helped reveal details of the operational principle of such devices, and how the pulse-processing electronics may influence their performance. The responses of individual pixels were compared by using two different pulse processing approaches based on the analog shaping (H3D ASIC) and fitting of the waveforms as read out from hybrid preamplifiers. C1 [Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; De Geronimo, G.; Fried, J.; Hossain, A.; Kim, K. H.; Marshall, M.; Petryk, M.; Vernon, E.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11793 USA. [Bale, D.; Soldner, S.; Prokesch, M.] Endicott Interconnect Technol Inc, Endicott, NY 13760 USA. [Butcher, J.] Geneseo Univ, Geneseo, NY 14454 USA. RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11793 USA. EM bolotnik@bnl.gov FU U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research & Development (DNN RD); BNL's Technology Maturation Award; U.S. Department of Energy [DE-AC02-98CH1-886] FX This work was supported by the U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research & Development (DNN R&D), and BNL's Technology Maturation Award. The manuscript was authored by Brookhaven Science Associates, LLC under Contract DE-AC02-98CH1-886 with the U.S. Department of Energy. NR 12 TC 2 Z9 2 U1 2 U2 21 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 APR PY 2014 VL 61 IS 2 BP 787 EP 792 DI 10.1109/TNS.2014.2299493 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100010 ER PT J AU Shin, KR Kang, YW Fathy, AE AF Shin, Ki R. Kang, Yoon W. Fathy, Aly E. TI Feasibility of Folded and Double Dipole Radio Frequency Quadrupole (RFQ) Cavities for Particle Accelerators SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Cut back; double dipole; folded dipole; radio frequency quadrupole (RFQ) ID CRNL AB The quadrupole and dipole modes frequencies can be very close in a long four-vane RFQ as structure length increases. This requires extra mode stabilizer design to improve field stability, which may add to system complexity and cost. Therefore, we investigate other four-vane RFQ designs which can have potential advantages and different mode spectrum. These designs are realized by modifying the RFQ cut-back scheme to be a folded-dipole (FD) or a double-dipole (DD) RFQs. In this paper, mode spectrums of these structures are further investigated as function of structure length and dipole mode properties are discussed in detail. Comparison of other properties of the three cut-back methods-FD, DD, and the conventional four cut-backs (4C) - are presented as well. Full 3-D simulations have been carried out for mode analysis of these RFQs with some experimental validation. C1 [Shin, Ki R.; Fathy, Aly E.] Univ Tennessee, Elect Engn & Comp Sci Dept, Knoxville, TN 37996 USA. [Kang, Yoon W.] SNS, Oak Ridge Natl Lab, Oak Ridge, TN 37849 USA. RP Shin, KR (reprint author), Univ Tennessee, Elect Engn & Comp Sci Dept, Knoxville, TN 37996 USA. EM shinkr@ornl.gov FU U.S. DOE; Research Accelerator Division of SNS FX The authors would like to thank the Basic Energy Sciences Program of the U.S. DOE and the Research Accelerator Division of SNS for supporting this work. NR 27 TC 1 Z9 1 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2014 VL 61 IS 2 BP 799 EP 807 DI 10.1109/TNS.2014.2301596 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100012 ER PT J AU Shin, KR Kang, YW Fathy, AE AF Shin, Ki R. Kang, Yoon W. Fathy, Aly E. TI Design Guidelines of a Double-Gap Microwave Rebuncher Cavity for a 400 MHz, 2.5 MeV Energy Light Ion Accelerator with Lower Gap Voltage and Field SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Buncher cavity; cavity resonator; double gap; drift tube; transverse magnetic; X-ray radiation AB A detailed electromagnetic model of a double-gap microwave rebuncher cavity proposed for 400-MHz, 2.5MeV energy of the front end section in 1 GeV energy H-ion linear accelerator, is presented and validated by extensive simulations. This design is intended to decrease both the utilized gap voltage and peak electric field of the rebunching cavity, henceforth may decrease X-ray radiation. A low cost 1/2 scaled aluminum cavity double gap model was built and tested for model validation. Mode frequencies and quality factors of the model were measured and compared to simulation. Additionally, bead perturbation method was used to measure the para-axial electric field. Simulation of the single and double gap cavities were compared to measurements and were in very good agreement. Subsequently, design guidelines have been developed to design the double gap rebuncher, optimize its gap size for lower electric fields and reduced X-ray radiation. C1 [Shin, Ki R.; Fathy, Aly E.] Univ Tennessee, Elect Engn & Comp Sci Dept, Knoxville, TN 37996 USA. [Kang, Yoon W.] Oak Ridge Natl Lab, SNS, Oak Ridge, TN 37831 USA. RP Shin, KR (reprint author), Univ Tennessee, Elect Engn & Comp Sci Dept, Knoxville, TN 37996 USA. FU Basic Energy Sciences program of the U.S. DOE; Research Accelerator Division of SNS FX The authors would like to thank the Basic Energy Sciences program of the U.S. DOE and the Research Accelerator Division of SNS for supporting this work. NR 26 TC 0 Z9 0 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2014 VL 61 IS 2 BP 817 EP 823 DI 10.1109/TNS.2014.2310058 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100014 ER PT J AU Edelen, JP Biedron, SG Harris, JR Lewellen, JW Milton, SV AF Edelen, J. P. Biedron, S. G. Harris, J. R. Lewellen, J. W. Milton, S. V. TI Electron Back-Bombardment and Mitigation in a Short Gap, Thermionic Cathode RF Gun SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Electron accelerators; electron guns; free-electron laser; space charge; thermionic emission ID AMPLIFIED SPONTANEOUS EMISSION AB When an un-gated thermionic cathode is operated in a radio-frequency gun, some fraction of the emitted electrons will return to the cathode due to the change in sign of the electric field in the gun. This back-bombardment current causes heating of the cathode, and this reduces the ability of the cathode heater to control the bunch charge. In this paper, we investigate the fundamental factors in single-frequency back-bombardment for a short-gap electron gun. Simulations revealed that the back-bombardment power depends strongly on the operating frequency and the bunch charge. Additionally, the use of a two-frequency TM010/TM020 electron gun to mitigate this effect was investigated which revealed that the effectiveness of this technique depends strongly upon single-frequency back-bombardment power but with the optimal reduction in back-bombardment power (62% of the baseline) occurring in the low-frequency limit. C1 [Edelen, J. P.; Biedron, S. G.; Harris, J. R.; Milton, S. V.] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. [Lewellen, J. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Edelen, JP (reprint author), Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. EM jedelen@engr.colostate.edu FU Office of Naval Research FX This work was supported by the Office of Naval Research. NR 19 TC 5 Z9 5 U1 1 U2 6 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 APR PY 2014 VL 61 IS 2 BP 830 EP 836 DI 10.1109/TNS.2014.2308910 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100016 ER PT J AU Kerisit, S Wang, ZG Williams, RT Grim, JQ Gao, F AF Kerisit, Sebastien Wang, Zhiguo Williams, Richard T. Grim, Joel Q. Gao, Fei TI Kinetic Monte Carlo Simulations of Scintillation Processes in NaI(Tl) SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Kinetic Monte Carlo; nonproportionality; radiation detection; scintillation mechanisms; gamma-ray spectroscopy ID ALKALI-HALIDES; THALLIUM CONCENTRATION; KCL-TLCL; NAI; HOLES; PROPORTIONALITY; RECOMBINATION; LUMINESCENCE; CRYSTALS; ELECTRON AB Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this paper to simulate the kinetics of scintillation for a range of temperatures and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions. C1 [Kerisit, Sebastien; Wang, Zhiguo; Gao, Fei] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Williams, Richard T.; Grim, Joel Q.] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. RP Kerisit, S (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM sebastien.kerisit@pnnl.gov; zhiguo.wang@pnnl.gov; williams@wfu.edu; grimjq@wfu.edu; fei.gao@pnnl.gov RI Wang, Zhiguo/B-7132-2009 FU National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering of the U.S. Department of Energy [NA-22] FX This work was supported by the National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering (NA-22), of the U.S. Department of Energy. NR 48 TC 2 Z9 2 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 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2014 VL 61 IS 2 BP 860 EP 869 DI 10.1109/TNS.2014.2300142 PG 10 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100020 ER PT J AU Aucott, TJ Bandstra, MS Negut, V Curtis, JC Chivers, DH Vetter, K AF Aucott, Timothy J. Bandstra, Mark S. Negut, Victor Curtis, Joseph C. Chivers, Daniel H. Vetter, Kai TI Effects of Background on Gamma-Ray Detection for Mobile Spectroscopy and Imaging Systems SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Gamma-ray detection; radiation imaging; spectroscopy ID CODED-APERTURE; IDENTIFICATION AB The presence of gamma-ray background significantly reduces detection sensitivity when searching for radioactive sources in the field, particularly in mobile systems which must contend with a variable background that is not known a priori. An extensive survey of the background was performed in the San Francisco Bay Area using both sodium iodide and high-purity germanium detectors, covering a wide variety of environments that might be encountered in an operational scenario. This data was used as a basis for source injection in a moving detector scenario in order to assess the effects of the background on different detection approaches. Both imaging and spectroscopic algorithms were implemented for the sodium iodide array, and their performances are compared for a variety of source energies and stand-off distances in the presence of the measured background. C1 [Aucott, Timothy J.; Negut, Victor; Curtis, Joseph C.; Vetter, Kai] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Bandstra, Mark S.; Chivers, Daniel H.; Vetter, Kai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Aucott, TJ (reprint author), Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. EM tjaucott@berkeley.edu FU U.S. Department of Homeland Security [2011-DN-077-ARI049-03] FX This work was supported by the U.S. Department of Homeland Security under Grant Award 2011-DN-077-ARI049-03. NR 13 TC 6 Z9 6 U1 1 U2 10 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 APR PY 2014 VL 61 IS 2 BP 985 EP 991 DI 10.1109/TNS.2014.2306998 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100035 ER PT J AU Dragone, A Caragiulo, P Carini, GA Herbst, R Pratte, JF O'Connor, P Rehak, P Siddons, DP Haller, G AF Dragone, A. Caragiulo, P. Carini, G. A. Herbst, R. Pratte, J. F. O'Connor, P. Rehak, P. Siddons, D. P. Haller, G. TI eLine10k: A High Dynamic Range Front-End ASIC for LCLS Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE ASIC; detectors; integrating; LCLS; X-rays ID READOUT AB eLine10k is a fast-frame, 64-channel readout ASIC for SLAC Linac Coherent Light Source (LCLS) detectors. The circuit has been designed to integrate the charge from high-capacitance 2D sensors with rolling shutter and 1D strip sensors. It is suitable for applications requiring large input signal range, on the order of 10(4) photons/pixel/pulse at 8 keV(22 Me-), and a resolution of half a photon FWHM (500 e(-) r.m.s.). 2D sensors with a rolling shutter like the X-ray Active Matrix Pixel Sensor (XAMPS), for which the ASIC has been optimized, present large input capacitance to each channel leading to stringent noise optimization requirements. The large required number of pixels per channel, and the fixed LCLS beam period impose limitations on the time available for the readout of each single pixel. Giving the periodic nature of the LCLS beam, the ASIC developed for this application is a time-variant system, providing low-noise charge integration, filtering and correlated double-sampling, and a processing speed up to 500 k pixel/s on each channel. To cope with the large input dynamic range, a charge pump scheme has been implemented providing on-chip 4-bit coarse digital conversion of the integrated charge. The residual charge is sampled using correlated double sampling into an analog memory, multiplexed and measured with the required resolution using an external ADC. In this paper, the ASIC architecture and performance of the final release are presented. C1 [Dragone, A.; Caragiulo, P.; Carini, G. A.; Herbst, R.; Haller, G.] SLAC Natl Accelerator Lab, Res Engn Div, Menlo Pk, CA 94025 USA. [Pratte, J. F.] Univ Sherbrooke, Sherbrooke, PQ J1K 2R1, Canada. [O'Connor, P.; Rehak, P.] Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. [Siddons, D. P.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Dragone, A (reprint author), SLAC Natl Accelerator Lab, Res Engn Div, Menlo Pk, CA 94025 USA. EM dragone@slac.stanford.edu FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886, DE-AC02-76SF00515] FX Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Use of the SLAC National Accelerator Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-76SF00515. NR 20 TC 0 Z9 0 U1 1 U2 3 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 APR PY 2014 VL 61 IS 2 BP 992 EP 1000 DI 10.1109/TNS.2014.2301093 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100036 ER PT J AU Yang, P Harmon, CD Doty, FP Ohlhausen, JA AF Yang, Pin Harmon, Charles D. Doty, F. Patrick Ohlhausen, James A. TI Effect of Humidity on Scintillation Performance in Na and Tl Activated CsI Crystals SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Cesium iodide; dopants; failure mechanisms; scintillation detectors ID MULTIVARIATE STATISTICAL-ANALYSIS; SPECTRAL IMAGES; CESIUM IODIDE; LUMINESCENCE; CENTERS; RAY AB Time dependent photoluminescence and radioluminescence for sodium (Na) and thallium (Tl) activated cesium iodide (CsI) single crystals exposed to 50% and 75% relative humidity (RH) has been investigated. These results indicate that Tl activated crystals are more robust than the Na activated crystals against humidity induced scintillation degradation. The development of "etching pits" and "inactive" domains are the characteristics of deteriorated Na activated CsI crystals. These "inactive" domains, bearing a resemblance to a polycrystalline appearance beneath the crystal surface, can be readily detected by a 250 nm light emitting diode. These features are commonly observed at the corners and deep scratched areas where moisture condensation is more likely to occur. Mechanisms contributing to the scintillation degradation in Na activated CsI crystals were investigated by Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). ToF-SIMS depth profiles indicate that Na has been preferentially diffused out of CsI crystal, leaving the Na concentration in these "inactive" domains below its scintillation threshold. C1 [Yang, Pin; Harmon, Charles D.; Ohlhausen, James A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Doty, F. Patrick] Sandia Natl Labs, Livermore, CA 94551 USA. RP Yang, P (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pyang@sandia.gov FU Lockheed Martin Corporation, for the 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 Operation, 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 27 TC 5 Z9 5 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 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2014 VL 61 IS 2 BP 1024 EP 1031 DI 10.1109/TNS.2014.2300471 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA AF7YI UT WOS:000334931100040 ER PT J AU Michalak, WD Krier, JM Alayoglu, S Shin, JY An, K Komvopoulos, K Liu, Z Somorjai, GA AF Michalak, William D. Krier, James M. Alayoglu, Selim Shin, Jae-Yoon An, Kwangjin Komvopoulos, Kyriakos Liu, Zhi Somorjai, Gabor A. TI CO oxidation on PtSn nanoparticle catalysts occurs at the interface of Pt and Sn oxide domains formed under reaction conditions SO JOURNAL OF CATALYSIS LA English DT Article DE Pt; Sn; Nanoparticle; Catalysis; Carbon monoxide oxidation; Interface; Ambient pressure X-ray photoelectron spectroscopy; Redox couple ID SN/PT(111) SURFACE ALLOYS; ELECTRON-ENERGY-LOSS; IN-SITU; CARBON-MONOXIDE; BIMETALLIC NANOPARTICLES; ULTRAHIGH-VACUUM; GROUP METALS; PHOTOELECTRON-SPECTROSCOPY; POLYCRYSTALLINE TIN; THERMAL-STABILITY AB The barrier to CO oxidation on Pt catalysts is the strongly bound adsorbed CO, which inhibits O-2 adsorption and hinders CO2 formation. Using reaction studies and in situ X-ray spectroscopy with colloidally prepared, monodisperse similar to 2 nm Pt and PtSn nanoparticle catalysts, we show that the addition of Sn to Pt provides distinctly different reaction sites and a more efficient reaction mechanism for CO oxidation compared to pure Pt catalysts. To probe the influence of Sn, we intentionally poisoned the Pt component of the nanoparticle catalysts using a CO-rich atmosphere. With a reaction environment comprised of 100 Torr CO and 40 Torr O-2 and a temperature range between 200 and 300 degrees C, Pt and PtSn catalysts exhibited activation barriers for CO2 formation of 133 kJ/mol and 35 kJ/mol, respectively. While pure Sn is readily oxidized and is not active for CO oxidation, the addition of Sn to Pt provides an active site for O-2 adsorption that is important when Pt is covered with CO. Sn oxide was identified as the active Sn species under reaction conditions by in situ ambient pressure X-ray photoelectron spectroscopy measurements. While chemical signatures of Pt and Sn indicated intermixed metallic components under reducing conditions, Pt and Sn were found to reversibly separate into isolated domains of Pt and oxidic Sn on the nanoparticle surface under reaction conditions of 100 mTorr CO and 40 mTorr O-2 between temperatures of 200-275 degrees C. Under these conditions, PtSn catalysts exhibited apparent reaction orders in O-2 for CO2 production that were 0.5 and lower with increasing partial pressures. These reaction orders contrast the first-order dependence in O-2 known for pure Pt. The differences in activation barriers, non-first-order dependence in O-2, and the presence of a partially oxidized Sn indicate that the enhanced activity is due to a reaction mechanism that occurs at a Pt/Sn oxide interface present at the nanoparticle surface. (C) 2014 Published by Elsevier Inc. C1 [Michalak, William D.; Krier, James M.; Alayoglu, Selim; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Michalak, William D.; Krier, James M.; Alayoglu, Selim; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Michalak, William D.; Krier, James M.; Alayoglu, Selim; An, Kwangjin; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Shin, Jae-Yoon] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Komvopoulos, Kyriakos] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Michalak, WD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM wmichalak@gmail.com; somorjai@berkeley.e-du RI Liu, Zhi/B-3642-2009; Foundry, Molecular/G-9968-2014 OI Liu, Zhi/0000-0002-8973-6561; FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-05CH11231]; UCB-KAUST Academic Excellence Alliance (AEA) Program; Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was funded by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-05CH11231. K.K. also acknowledges funding provided by the UCB-KAUST Academic Excellence Alliance (AEA) Program. This work was performed in part at the Molecular Foundry and the Advanced Light Source, beamline 9.3.2 of the Lawrence Berkeley National Laboratory. 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 61 TC 25 Z9 25 U1 14 U2 112 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD APR PY 2014 VL 312 BP 17 EP 25 DI 10.1016/j.jcat.2014.01.005 PG 9 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AG0ND UT WOS:000335111300003 ER PT J AU Bates, SA Delgass, WN Ribeiro, FH Miller, JT Gounder, R AF Bates, Shane A. Delgass, W. Nicholas Ribeiro, Fabio H. Miller, Jeffrey T. Gounder, Rajamani TI Methods for NH3 titration of Bronsted acid sites in Cu-zeolites that catalyze the selective catalytic reduction of NOx with NH3 SO JOURNAL OF CATALYSIS LA English DT Article DE Selective catalytic reduction of NOx; Copper-exchanged zeolite; Chabazite; SSZ-13; ZSM-5; Bronsted acid site; NH3 titration of acid sites; n-Propylamine ID TEMPERATURE-PROGRAMMED DESORPTION; AMORPHOUS SILICA-ALUMINA; NITRIC-OXIDE; INFRARED-SPECTROSCOPY; FE-ZSM-5 CATALYSTS; SOLID ACIDS; H-USY; AMMONIA; CU-SSZ-13; COORDINATION AB Three methods were developed to use ammonia as a selective titrant of residual Bronsted acid sites in partially Cu-exchanged MFI (ZSM-5) and CHA (SSZ-13) zeolites that mediate the selective catalytic reduction (SCR) of NO with NH3. These methods involved saturation with gas-phase NH3 at 433 K followed by purging in flowing helium, saturation with gas-phase NH3 at 323 K followed by washing with deionized water, or saturation with aqueous NH4NO3 solution (353 K) followed by washing with deionized water. H-ZSM-5 (Si:Al-tot=17-89) and Cu-ZSM-5 (Cu:Al-tot=0-0.27 at Si:Al-tot=17) samples saturated with NH3 using these three methods, and with n-propylamine titrants that react selectively with Bronsted acid sites to form C3H6 and NH3, evolved identical amounts of NH3 in temperature-programmed desorption experiments. The consistency among these four methods indicates that NH3 can be used as a selective titrant of H+ sites in the presence of Lewis acid sites on Cu-zeolites. The number of H+ sites on MFI and CHA zeolites measured by direct chemical titration was often less than the number of framework Al (Al-f) atoms determined from Al-27 MAS NMR spectra (H+:Al-f=0.7-1.0), yet another reminder that Al-f structures can be imprecise surrogates for active H+ sites on zeolites. Although n-propylamine (at 323 K) titrated all H+ sites in Cu-ZSM-5, it titrated in Cu-SSZ-13 (Cu:Al-tot=0-0.20 at Si:Al-tot=4.5) only a small fraction (0-0.26) of the H+ sites that were accessible to NH3, which is the reductant in NO SCR reactions with NH3 (standard SCR). Standard SCR turnover rates on Cu-SSZ-13 samples, after normalization by the number of active Cu(II) sites, showed an apparent zero-order dependence on the number of residual H+ sites measured by NH3 titration. These data suggest that reactive NH4+, intermediates are present in excess, relative to metal-bound NO species, under the SCR conditions studied. The methods reported herein, which titrate Bronsted acid sites selectively in the presence of Lewis acid sites, are useful in investigating the mechanistic role of H+ sites in standard SCR on small-pore Cu-zeolites and in other reactions catalyzed by metal-exchanged zeolites. (C) 2014 Elsevier Inc. All rights reserved. C1 [Bates, Shane A.; Delgass, W. Nicholas; Ribeiro, Fabio H.; Miller, Jeffrey T.; Gounder, Rajamani] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Miller, JT (reprint author), Purdue Univ, Sch Chem Engn, Forney Hall Chem Engn,480 Stadium Mall Dr, W Lafayette, IN 47907 USA. EM millerjt@anl.gov; rgounder@purdue.edu RI ID, MRCAT/G-7586-2011; OI Ribeiro, Fabio/0000-0001-7752-461X FU U.S. Department of Energy (DoE) vehicle Technology Program [DE-EE0003977]; National Science Foundation GOALI program [1258715-CBET]; U.S. DOE, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC0-06CH11357] FX Financial support was provided by the U.S. Department of Energy (DoE) vehicle Technology Program under Contract DE-EE0003977, and by the National Science Foundation GOALI program under award number 1258715-CBET. Support for JTM was provided under the auspices of the U.S. DOE, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under contract number DE-AC0-06CH11357. We would like to thank Sachem, Inc. for their gracious donation of the structure-directing agent used in the synthesis of SSZ-13. We thank John Harwood (Purdue Interdepartmental NMR Facility) for acquisition of the 27Al MAS NMR spectra of the SSZ-13 samples. We would also like to thank McKay Easton for his contribution of the calculation of the stable conformation of n-propylamine, Kaiwalya Sabnis for his work on a number of TPD experiments included in this manuscript, Atish Parekh for his contribution of IR spectra, and John Degenstein for his work on a computer code to make the TPD profile figures. NR 53 TC 27 Z9 27 U1 12 U2 137 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD APR PY 2014 VL 312 BP 26 EP 36 DI 10.1016/j.jcat.2013.12.020 PG 11 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AG0ND UT WOS:000335111300004 ER PT J AU Bates, SA Verma, AA Paolucci, C Parekh, AA Anggara, T Yezerets, A Schneider, WF Miller, JT Delgass, WN Ribeiro, FH AF Bates, Shane A. Verma, Anuj A. Paolucci, Christopher Parekh, Atish A. Anggara, Trunojoyo Yezerets, Aleksey Schneider, William F. Miller, Jeffrey T. Delgass, W. Nicholas Ribeiro, Fabio H. TI Identification of the active Cu site in standard selective catalytic reduction with ammonia on Cu-SSZ-13 SO JOURNAL OF CATALYSIS LA English DT Article DE Selective catalytic reduction of NO; Cu-chabazite; SSZ-13; Kinetics of selective catalytic reduction; Active site in Cu-selective catalytic reduction; Isolated Cu ions in CHA zeolites; Operando X-ray absorption spectroscopy; Ultraviolet-visible-near infrared spectroscopy; Density functional theory of Cu(II) ions in CHA zeolites ID X-RAY-ABSORPTION; TOTAL-ENERGY CALCULATIONS; H-FORM ZEOLITES; WAVE BASIS-SET; NITRIC-OXIDE; OXIDATION-STATE; DIAMMINECOPPER(I) ION; FE-ZSM-5 CATALYST; NO DECOMPOSITION; SSZ-13 ZEOLITE AB Copper-exchanged SSZ-13 catalysts were used for the standard selective catalytic reduction (SCR) reaction at 473 K with 320 ppm NO, 320 ppm NH3, 10% 02,8% CO2, and 6% H2O. The copper to total aluminum atomic ratio (Cu:Al-tot) was varied from 0 to 0.35 (copper to framework Al ratio (Cu:Al-f) = 0-0.41) over seven samples with silicon to total aluminum atomic ratio (Si:Al-tot) ranging between 4.3 and 4.5 (silicon to framework Al (Si:Al-f) = 5.1-5.3). The standard SCR rate per gram was observed to increase linearly up to Cu:Altot = 0.2 (Cu:Al-f= 0.23) with a maximum rate of 3.8 x 10(-6) mol NO g cat(-1) s(-1), which ruled out heat and mass transfer effects by the Koros-Nowak test. The rate per gram was observed to track with a hydrated Cu(II) species in ultraviolet-visible-near infrared spectroscopy (UV-Vis-NIR) at ambient conditions. This species was shown by operando X-ray absorption spectroscopy (XAS) to become the active, isolated Cu. Density functional theory calculations identified an exchanged isolated Cu(II) in the six-membered ring of SSZ-13 as the most stable position for isolated Cu(ll). Statistical simulations showed that the number of isolated Cu in six-membered rings containing 2 framework Al reaches a maximum at Cu:Al-f= 0.22 for Si:Al-f= 5.3, which is consistent with the maximum observed rate per gram at Cu:Al-tot = 0.2 (Cu:Al-f= 0.23) and supports the isolated Cu(II) in the six-membered ring as the active Cu species. Above Cu:Al-tot = 0.2 (Cu:Al-f = 0.23), a new CuxOy (x,y >= 1) species was observed from ambient XAS measurements but did not contribute to standard SCR because the rate at Cu:Al-tot= 0.35 (Cu:Al-f = 0.41) still tracked with the amount of hydrated Cu(II), the active site precursor. The standard SCR rate per gram was shown to be inversely related to the number of available Bronsted acid sites, suggesting the kinetically-relevant standard SCR steps were not occurring on those sites in the Cu-SSZ-13 samples, but not ruling them out as contributors to the catalysis. Thus, we suggest the kinetically-relevant steps for standard SCR occur on the isolated Cu(II) species located primarily in exchange positions of the six-membered ring of the SSZ-13 structure. (C) 2014 Elsevier Inc. All rights reserved. C1 [Bates, Shane A.; Verma, Anuj A.; Parekh, Atish A.; Delgass, W. Nicholas; Ribeiro, Fabio H.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Paolucci, Christopher; Anggara, Trunojoyo; Schneider, William F.] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Yezerets, Aleksey] Cummins Inc, Columbus, IN 47201 USA. [Schneider, William F.] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Ribeiro, FH (reprint author), Purdue Univ, Sch Chem Engn, 480 Stadium Mall Dr, W Lafayette, IN 47907 USA. EM fabio@purdue.edu RI ID, MRCAT/G-7586-2011; Anggara, Trunojoyo/K-4757-2013; OI Anggara, Trunojoyo/0000-0003-1073-3550; Ribeiro, Fabio/0000-0001-7752-461X FU U.S. Department of Energy (DoE) vehicle Technology Program [DE-EE0003977]; National Science Foundation GOALI program [1258715-CBET] FX Financial support was provided by the U.S. Department of Energy (DoE) vehicle Technology Program under Contract No. DE-EE0003977 and by the National Science Foundation GOALI program under award number 1258715-CBET. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract No. DE-ACO2-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. Support for JTM was provided under the auspices of the U.S. DOE, Office of Basic Energy Sciences, Division of Chemical Sciences, Geo-sciences, and Biosciences under Contract No. DE-AC0-06CH11357. We thank Sachem, Inc. for their gracious donation of the structure directing agent for SSZ-13 synthesis. We would also like to thank Paul Dietrich for his help in executing the XAS experiments at the APS, and the Center for Research Computing at Notre Dame for support of computational resources. NR 66 TC 71 Z9 72 U1 41 U2 240 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD APR PY 2014 VL 312 BP 87 EP 97 DI 10.1016/j.jcat.2014.01.004 PG 11 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AG0ND UT WOS:000335111300010 ER PT J AU Verma, AA Bates, SA Anggara, T Paolucci, C Parekh, AA Kamasamudram, K Yezerets, A Miller, JT Delgass, WN Schneider, WF Ribeiro, FH AF Verma, Anuj A. Bates, Shane A. Anggara, Trunojoyo Paolucci, Christopher Parekh, Atish A. Kamasamudram, Krishna Yezerets, Aleksey Miller, Jeffrey T. Delgass, W. Nicholas Schneider, William F. Ribeiro, Fabio H. TI NO oxidation: A probe reaction on Cu-SSZ-13 SO JOURNAL OF CATALYSIS LA English DT Article DE Selective catalytic reduction; Chabazite; Kinetics; SSZ-13; NO oxidation; Active site; Isolated Cu; Ultraviolet-visible-near infrared spectroscopy; Density functional theory ID SELECTIVE CATALYTIC-REDUCTION; CU-EXCHANGED ZEOLITES; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SSZ-13 ZEOLITE; ACTIVE-SITES; DECOMPOSITION; CU-ZSM-5; COPPER AB The site requirements and mechanism of dry NO oxidation were examined on a series of Cu-SSZ-13 catalysts (silicon/aluminum atomic ratio = 4.5) with Cu:total-aluminum (Cu/AI(tot)) atomic ratios ranging from 0.02 to 1.6. Catalysts with Cu/Al-tot atomic ratio <0.2 exhibit immeasurable NO oxidation rates (per mole Cu), while NO oxidation rates increase monotonically with Cu/Al-tot atomic ratio from 0.2 up to 0.5. Hydrated Cu-SSZ-13 catalysts with Cu/Al-tot atomic ratio < 0.2 exhibit a near infrared feature at 12,500 cm(-1) under ambient conditions that we assign to a d-d transition of an isolated, hydrated Cu2+ ion. X-ray absorption near edge structure (XANES) measurements on the same catalysts under ambient conditions quantitatively match a [Cu(H2O)(6)](2+) reference. The 12,500 cm(-1) feature intensity is constant above Cu/Al-tot atomic ratio = 0.2, implying that the additional Cu ions adopt other configurations. Catalysts with Cu/Al-tot atomic ratio > 0.2 also showed an increasing percentage of CuxOy species (clustered Cu2+ ions x >= 2, y >= 1) as quantified by XANES under ambient conditions. Saturation of these isolated Cu2+ sites at Cu/Al-tot atomic ratio = 0.2 is consistent with the expected number of 6-membered ring Al-tot pair sites available to accommodate them. The hydrated isolated Cu2+ ions in catalysts with Cu/Al-tot atomic ratio < 0.2 are quantitatively converted to dehydrated isolated Cu2+ ions under NO oxidation conditions and do not contribute measurably to the rate of NO oxidation. In contrast, in situ XANES experiments show that the CuxOy species remain present under NO oxidation conditions (300 ppm NO, 150 ppm NO2, and 10% O-2, at 300 degrees C) and contribute linearly to the rate of NO oxidation per mole Cu (at 300 degrees C). We used density functional theory (OFT) calculations to compare the ability of isolated Cu ions and Cu dimers (Cu2Oy) species to support NO oxidation. Only the Cu dimers can accommodate adsorption and dissociation of O-2 necessary to catalyze NO oxidation. We hypothesize that activated oxygen enables NO to form NO2 in a kinetically-relevant step. These findings reveal that dry NO oxidation (300 ppm NO, 150 ppm NO2, and 10% O-2) can be used as a probe reaction to identify clustering of Cu ions on Cu-SSZ-13. (c) 2014 Elsevier Inc. All rights reserved. C1 [Verma, Anuj A.; Bates, Shane A.; Parekh, Atish A.; Delgass, W. Nicholas; Ribeiro, Fabio H.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Anggara, Trunojoyo; Paolucci, Christopher; Schneider, William F.] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Kamasamudram, Krishna; Yezerets, Aleksey] Cummins Inc, Columbus, IN 47201 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Schneider, WF (reprint author), Univ Notre Dame, Dept Chem & Biomol Engn, 182 Fitzpatrick Hall, Notre Dame, IN 46556 USA. EM wschneider@nd.edu; fabio@purdue.edu RI ID, MRCAT/G-7586-2011; Anggara, Trunojoyo/K-4757-2013; OI Anggara, Trunojoyo/0000-0003-1073-3550; Ribeiro, Fabio/0000-0001-7752-461X FU U.S. Department of Energy (DoE) vehicle Technology Program [189 DE-EE0003977]; National Science Foundation GOALI program [1258715-CBET]; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division, U.S. Department of Energy [DE-AC0-06CH11357] FX Financial support was provided by the U.S. Department of Energy (DoE) vehicle Technology Program under Contract No. 189 DE-EE0003977 and by the National Science Foundation GOALI program under award number 1258715-CBET. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. Computing resources were provided in part by the Notre Dame Center for Research Computing. Financial support for JTM was provided by the Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division, U.S. Department of Energy, under contract DE-AC0-06CH11357. We thank Paul Dietrich for his help in executing the XAS experiments at the APS and thank Sachem, Inc. for their gracious donation of the structure directing agent for SSZ-13 synthesis. NR 73 TC 35 Z9 35 U1 13 U2 118 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD APR PY 2014 VL 312 BP 179 EP 190 DI 10.1016/j.jcat.2014.01.017 PG 12 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AG0ND UT WOS:000335111300017 ER PT J AU Jallouk, AP Cummings, PT AF Jallouk, Andrew P. Cummings, Peter T. TI Audibilization: Data Analysis by Ear SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; LIQUID WATER; HYDROGEN-BONDS; GOLD NANOWIRES; TRANSLOCATION; STABILITY; MODEL AB As molecular dynamics simulations continue to grow in size and complexity, new techniques are needed to rapidly identify regions of data likely to benefit from further analysis. Audibilization, the conversion of data to sound, facilitates this task by taking advantage of the user's innate ability to identify anomalies in patterns of sound. Audibilization also complements visualization of a molecular simulation by allowing the user to easily correlate changes in numerical quantities with changes in the overall structure of the molecular system. Here we present three examples highlighting the utility of audibilization in the analysis of three different molecular simulations. First, we present a simulation of liquid water in which the lengths of the O-H bonds are calculated at each time step and audibilized. Interestingly, we find that anomalies in the pattern of bond vibration are due to intermolecular interactions but do not correlate with the formation of hydrogen bonds. Next, we present a simulation of the rupture of a gold nanowire. Here we audibilize the nanowire potential energy and illustrate that sharp changes in this value coincide with important structural events such as the formation of monatomic chains and dislocations. Finally, we present a simulation of single-stranded DNA passing through a nanogap. Here the bond angle is audibilized and used to illustrate the conformational changes of each base as it passes through the nanogap. This simulation also illustrates the use of more advanced audibilization techniques such as the multiplexing of audibilized signals and the weighting of certain segments of data relative to others. C1 [Jallouk, Andrew P.] Washington Univ, Med Scientist Training Program, St Louis, MO 63110 USA. [Cummings, Peter T.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. [Cummings, Peter T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Cummings, PT (reprint author), Vanderbilt Univ, Dept Chem & Biomol Engn, 221 Kirkland Hall, Nashville, TN 37235 USA. EM peter.cummings@vanderbilt.edu NR 37 TC 0 Z9 0 U1 0 U2 3 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 APR PY 2014 VL 10 IS 4 BP 1387 EP 1394 DI 10.1021/ct401105x PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AF2VZ UT WOS:000334571900004 PM 26580358 ER PT J AU Lin, LC Lee, K Gagliardi, L Neaton, JB Smit, B AF Lin, Li-Chiang Lee, Kyuho Gagliardi, Laura Neaton, Jeffrey B. Smit, Berend TI Force-Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal-Organic Frameworks SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID CARBON-DIOXIDE CAPTURE; CORRECTED DFT CALCULATIONS; CO2 ADSORPTION; MOLECULAR SIMULATIONS; WATER-ADSORPTION; GAS-ADSORPTION; SITES; MG-MOF-74; DYNAMICS; MODEL AB We present a systematic and efficient methodology to derive accurate (nonpolarizable) force fields from periodic density functional theory (DFT) calculations for use in classical molecular simulations. The methodology requires reduced computation cost compared with other conventional ways. Moreover, the whole process is performed self-consistently in a fully periodic system. The force fields derived by using this methodology nicely predict the CO2 and H2O adsorption isotherms inside Mg-MOF-74, and is transferable to Zn-MOF-74; by replacing the Mg-CO2 interactions with the corresponding Zn-CO2 interactions, we obtain an accurate prediction of the corresponding isotherm. We have applied this methodology to address the effect of water on the separation of flue gases in these materials. In general, the mixture isotherms of CO2 and H2O calculated with these derived force fields show a significant reduction in CO2 uptake with the existence of trace amounts of water vapor. The effect of water, however, is found to be quantitatively different between Mg- and Zn-MOF-74. C1 [Lin, Li-Chiang; Lee, Kyuho; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Lee, Kyuho; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Gagliardi, Laura] Univ Minnesota, Supercomp Inst, Dept Chem, Minneapolis, MN 55455 USA. [Gagliardi, Laura] Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Lin, LC (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM lichianglin@berkeley.edu; kyuholee@lbl.gov RI Smit, Berend/B-7580-2009; Lee, Kyuho/B-9370-2008; Lin, Li-Chiang/J-8120-2014; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; OI Smit, Berend/0000-0003-4653-8562; Lee, Kyuho/0000-0001-9325-3717; Neaton, Jeffrey/0000-0001-7585-6135; Lin, Li-Chiang/0000-0002-2821-9501 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-FG02-12ER16362]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Chevron Fellowship; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We gratefully thank Prof. Jihan Kim at Korea Advanced Institute of Science and Technology (KAIST) for providing help with code modifications to facilitate the development of this methodology. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under award DE-FG02-12ER16362. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. L.-C.L. acknowledges financial support from a Chevron Fellowship. This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 39 Z9 40 U1 9 U2 88 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 APR PY 2014 VL 10 IS 4 BP 1477 EP 1488 DI 10.1021/ct500094w PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AF2VZ UT WOS:000334571900012 PM 26580364 ER PT J AU Marsden, D Gralla, M Marriage, TA Switzer, ER Partridge, B Massardi, M Morales, G Addison, G Bond, JR Crichton, D Das, S Devlin, M Dunner, R Hajian, A Hilton, M Hincks, A Hughes, JP Irwin, K Kosowsky, A Menanteau, F Moodley, K Niemack, M Page, L Reese, ED Schmitt, B Sehgal, N Sievers, J Staggs, S Swetz, D Thornton, R Wollack, E AF Marsden, Danica Gralla, Megan Marriage, Tobias A. Switzer, Eric R. Partridge, Bruce Massardi, Marcella Morales, Gustavo Addison, Graeme Bond, J. Richard Crichton, Devin Das, Sudeep Devlin, Mark Duenner, Rolando Hajian, Amir Hilton, Matt Hincks, Adam Hughes, John P. Irwin, Kent Kosowsky, Arthur Menanteau, Felipe Moodley, Kavilan Niemack, Michael Page, Lyman Reese, Erik D. Schmitt, Benjamin Sehgal, Neelima Sievers, Jonathan Staggs, Suzanne Swetz, Daniel Thornton, Robert Wollack, Edward TI The Atacama Cosmology Telescope: dusty star-forming galaxies and active galactic nuclei in the Southern survey SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: numerical; surveys; galaxies: active; galaxies: high-redshift ID COEVAL OBSERVATIONS PROJECT; CLERK MAXWELL TELESCOPE; SOURCE CATALOG; EXTRAGALACTIC SOURCES; POLE TELESCOPE; BOLOMETER CAMERA; BLAZAR SEQUENCE; NUMBER COUNTS; BRIGHTNESS TEMPERATURES; REDSHIFT DISTRIBUTION AB We present a catalogue of 191 extragalactic sources detected by the Atacama Cosmology Telescope (ACT) at 148 and/or 218 GHz in the 2008 Southern survey. Flux densities span 14 -1700 mJy, and we use source spectral indices derived using ACT-only data to divide our sources into two subpopulations: 167 radio galaxies powered by central active galactic nuclei (AGN) and 24 dusty star-forming galaxies (DSFGs). We cross-identify 97 per cent of our sources (166 of the AGN and 19 of the DSFGs) with those in currently available catalogues. When combined with flux densities from the Australia Telescope 20 GHz survey and follow-up observations with the Australia Telescope Compact Array, the synchrotron-dominated population is seen to exhibit a steepening of the slope of the spectral energy distribution from 20 to 148 GHz, with the trend continuing to 218 GHz. The ACT dust-dominated source population has a median spectral index, alpha(148-218), of 3.7(-0.86)(+0.62), and includes both local galaxies and sources with redshift around 6. Dusty sources with no counterpart in existing catalogues likely belong to a recently discovered subpopulation of DSFGs lensed by foreground galaxies or galaxy groups. C1 [Marsden, Danica] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Marsden, Danica; Devlin, Mark; Reese, Erik D.; Schmitt, Benjamin] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Gralla, Megan; Marriage, Tobias A.; Crichton, Devin] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Switzer, Eric R.; Wollack, Edward] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Partridge, Bruce] Haverford Coll, Dept Phys & Astron, Haverford, PA 19041 USA. [Massardi, Marcella] Astron Observ Padova, INAF, I-35122 Padua, Italy. [Morales, Gustavo; Duenner, Rolando] Pontificia Univ Catolica Chile, Fac Fis, Dept Astronomia & Astrofis, Santiago 22, Chile. [Addison, Graeme] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T IZ4, Canada. [Bond, J. Richard; Hajian, Amir; Hincks, Adam; Sievers, Jonathan] Univ Toronto, Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Das, Sudeep] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, LBL, Berkeley, CA 94720 USA. [Das, Sudeep] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Dept Phys, Berkeley, CA 94720 USA. [Hilton, Matt; Moodley, Kavilan; Sievers, Jonathan] Univ KwaZulu Natal, Sch Math Stat & Comp Sci, Astrophys & Cosmol Res Unit, ZA-4041 Durban, South Africa. [Hughes, John P.; Menanteau, Felipe] State Univ New Jersey, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Irwin, Kent; Swetz, Daniel] NIST Quantum Devices Grp, Boulder, CO 80305 USA. [Kosowsky, Arthur] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Niemack, Michael] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Page, Lyman; Sievers, Jonathan; Staggs, Suzanne] Princeton Univ, Jadwin Hall, Princeton, NJ 08544 USA. [Sehgal, Neelima] SUNY Stony Brook, Phys & Astron Dept, Stony Brook, NY 11794 USA. [Thornton, Robert] West Chester Univ Penn, Dept Phys, W Chester, PA 19383 USA. RP Marsden, D (reprint author), Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. EM danica@physics.ucsb.edu RI Wollack, Edward/D-4467-2012; OI Wollack, Edward/0000-0002-7567-4451; Menanteau, Felipe/0000-0002-1372-2534; Sievers, Jonathan/0000-0001-6903-5074 FU US National Science Foundation [AST-0408698, AST-0965625]; Princeton University; University of Pennsylvania; Canada Foundation for Innovation (CFI); NSF Physics Frontier Center [PHY-0114422]; SciNet; Canada Foundation for Innovation (CFI) under the Compute Canada; Government of Ontario; Ontario Research Fund Research Excellence; University of Toronto; Comision Nacional de Investigacion Cientifica y Tecnologica de Chile (CONICYT); Commonwealth of Australia; National Aeronautics and Space Administration; [PHY-0355328]; [PHY-0855887]; [PHY-1214379]; [AST-0707731]; [PIRE-0507768]; [OISE-0530095] FX This work was supported by the US National Science Foundation through awards AST-0408698 and AST-0965625 for the ACT project, and PHY-0355328, PHY-0855887, PHY-1214379, AST-0707731 and PIRE-0507768 (award number OISE-0530095). Funding was also provided by Princeton University, the University of Pennsylvania and a Canada Foundation for Innovation (CFI) award to UBC. ES acknowledges support by NSF Physics Frontier Center grant PHY-0114422 to the Kavli Institute of Cosmological Physics. The PIRE programme enabled this research through exchanges between Chile, South Africa, Spain and the US. Computations were performed on the GPC supercomputer at the SciNet HPC Consortium. SciNet is funded by SciNet is funded by the Canada Foundation for Innovation (CFI) under the auspices of Compute Canada, the Government of Ontario, the Ontario Research Fund Research Excellence and the University of Toronto. Data acquisition electronics were developed with assistance from the CFI. ACT operates in the Parque Astronmico Atacama in northern Chile under the auspices of the Comision Nacional de Investigacion Cientifica y Tecnologica de Chile (CONICYT).; We thank the staff at the Australia Telescope Compact Array site, Narrabri (NSW), for the valuable support they provide in running the telescope. ATCA is part of the Australia Telescope National Facility which is funded by the Commonwealth of Australia for operation as a National Facility managed by CSIRO.; This research made use of the NASA/IPAC Extragalactic Database (NED) which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. NR 80 TC 11 Z9 11 U1 0 U2 8 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 2 BP 1556 EP 1574 DI 10.1093/mnras/stu001 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6OS UT WOS:000334114000021 ER PT J AU Zu, Y Weinberg, DH Rozo, E Sheldon, ES Tinker, JL Becker, MR AF Zu, Ying Weinberg, David H. Rozo, Eduardo Sheldon, Erin S. Tinker, Jeremy L. Becker, Matthew R. TI Cosmological constraints from the large-scale weak lensing of SDSS MaxBCG clusters SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: statistical; cosmological parameters; large-scale structure of Universe ID DIGITAL SKY SURVEY; DARK-MATTER HALOS; LOCAL GALAXY CLUSTERS; X-RAY; POWER SPECTRA; DATA RELEASE; MASS; CALIBRATION; PRECISION; CATALOG AB We derive constraints on the matter density Omega(m) and the amplitude of matter clustering Sigma(8) from measurements of large-scale weak lensing (projected separation R = 5-30 h(-1) Mpc) by clusters in the Sloan Digital Sky Survey MaxBCG catalogue. The weak lensing signal is proportional to the product of Omega(m) and the cluster-mass correlation function xi(cm). With the relation between optical richness and cluster mass constrained by the observed cluster number counts, the predicted lensing signal increases with increasing Omega(m) or Sigma(8), with mild additional dependence on the assumed scatter between richness and mass. The dependence of the signal on scale and richness partly breaks the degeneracies among these parameters. We incorporate external priors on the richness-mass scatter from comparisons to X-ray data and on the shape of the matter power spectrum from galaxy clustering, and we test our adopted model for xi(cm) against N-body simulations. Using a Bayesian approach with minimal restrictive priors, we find Sigma(8)((m)/0.325)(0.501) = 0.828 +/- 0.049, with marginalized constraints of Omega(m) = 0.325(-0.067)(+0.086) and sigma(8) = 0.828(-0.097)(+0.111), consistent with constraints from other MaxBCG studies that use weak lensing measurements on small scales (R < 2 h(-1) Mpc). The ((m), Sigma(8)) constraint is consistent with and orthogonal to the one inferred from Wilkinson Microwave Anisotropy Probe cosmic microwave background data, reflecting agreement with the structure growth predicted by General Relativity for a Lambda cold dark matter (Lambda CDM) cosmological model. A joint constraint assuming Lambda CDM yields Omega M = 0.298(-0.020)(+0.019) AND sigma 8 = 0.831(-0.020)(+0.020) . For these parameters and our best-fitting scatter, we obtain a tightly constrained mean richness-mass relation of MaxBCG clusters, N-200 = 25.4(M/3.61 x 10(14) h(-1) M-circle dot)(0.74), with a normalization uncertainty of 1.5 per cent. Our cosmological parameter errors are dominated by the statistical uncertainties of the large-scale weak lensing measurements, which should shrink sharply with current and future imaging surveys. C1 [Zu, Ying; Weinberg, David H.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Zu, Ying; Weinberg, David H.] Ohio State Univ, CCAPP, Columbus, OH 43210 USA. [Rozo, Eduardo] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Rozo, Eduardo; Becker, Matthew R.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Sheldon, Erin S.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Tinker, Jeremy L.] NYU, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Becker, Matthew R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Zu, Y (reprint author), Ohio State Univ, Dept Astron, 140 W 18th Ave, Columbus, OH 43210 USA. EM yingzu@astronomy.ohio-state.edu OI Becker, Matthew/0000-0001-7774-2246; Zu, Ying/0000-0001-6966-6925 FU NSF [AST-1009505]; NASA through the Einstein Fellowship Program [PF9-00068]; Kavli Institute for Cosmological Physics at the University of Chicago [NSF PHY-0114422, NSF PHY-0551142]; Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England; American Museum of Natural History; Astrophysical Institute Potsdam; University of Basel; University of Cambridge; Case Western Reserve University; University of Chicago; Drexel University; Fermilab; Institute for Advanced Study; Japan Participation Group; Johns Hopkins University; Joint Institute for Nuclear Astrophysics; Kavli Institute for Particle Astrophysics and Cosmology; Korean Scientist Group; Chinese Academy of Sciences (LAMOST); Los Alamos National Laboratory; Max-Planck-Institute for Astronomy (MPIA); Max-Planck-Institute for Astrophysics (MPA); New Mexico State University; Ohio State University; University of Pittsburgh; University of Portsmouth; Princeton University; United States Naval Observatory; University of Washington; Kavli Foundation FX We thank Anatoly Klypin for providing the L1000W simulation and Uros Seljak for constructive discussions. We also thank the anonymous referee for helpful comments. DHW and YZ are supported by the NSF grant AST-1009505. ER is funded by NASA through the Einstein Fellowship Program, grant PF9-00068. MRB is supported in part by the Kavli Institute for Cosmological Physics at the University of Chicago through grants NSF PHY-0114422 and NSF PHY-0551142, and an endowment from the Kavli Foundation and its founder Fred Kavli.; Funding for the SDSS and SDSS-II has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, the US Department of Energy, the National Aeronautics and Space Administration, the Japanese Monbukagakusho, the Max Planck Society, and the Higher Education Funding Council for England. The SDSS web site is http://www.sdss.org/.; The SDSS is managed by the Astrophysical Research Consortium for the Participating Institutions. The Participating Institutions are the American Museum of Natural History, Astrophysical Institute Potsdam, University of Basel, University of Cambridge, Case Western Reserve University, University of Chicago, Drexel University, Fermilab, the Institute for Advanced Study, the Japan Participation Group, Johns Hopkins University, the Joint Institute for Nuclear Astrophysics, the Kavli Institute for Particle Astrophysics and Cosmology, the Korean Scientist Group, the Chinese Academy of Sciences (LAMOST), Los Alamos National Laboratory, the Max-Planck-Institute for Astronomy (MPIA), the Max-Planck-Institute for Astrophysics (MPA), New Mexico State University, Ohio State University, University of Pittsburgh, University of Portsmouth, Princeton University, the United States Naval Observatory and the University of Washington. NR 51 TC 6 Z9 6 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 2 BP 1628 EP 1647 DI 10.1093/mnras/stu033 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6OS UT WOS:000334114000026 ER PT J AU Mazzali, PA Sullivan, M Hachinger, S Ellis, RS Nugent, PE Howell, DA Gal-Yam, A Maguire, K Cooke, J Thomas, R Nomoto, K Walker, ES AF Mazzali, P. A. Sullivan, M. Hachinger, S. Ellis, R. S. Nugent, P. E. Howell, D. A. Gal-Yam, A. Maguire, K. Cooke, J. Thomas, R. Nomoto, K. Walker, E. S. TI Hubble Space Telescope spectra of the Type Ia supernova SN 2011fe: a tail of low-density, high-velocity material with Z < Z(circle dot) SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE radiative transfer; techniques: spectroscopic; supernovae: general; supernovae: individual: SN 2011fe ID CHANDRASEKHAR-MASS MODELS; LIGHT CURVES; ULTRAVIOLET-SPECTRA; ABUNDANCE STRATIFICATION; DARK-ENERGY; LUMINOSITY INDICATORS; NEBULAR SPECTRA; LEGACY SURVEY; WHITE-DWARFS; LOW-REDSHIFT AB Hubble Space Telescope spectroscopic observations of the nearby Type Ia supernova (SN Ia) SN 2011fe, taken on 10 epochs from -13.1 to +40.8 d relative to B-band maximum light, and spanning the far-ultraviolet (UV) to the near-infrared (IR) are presented. This spectroscopic coverage makes SN 2011fe the best-studied local SN Ia to date. SN 2011fe is a typical moderately luminous SN Ia with no evidence for dust extinction. Its near-UV spectral properties are representative of a larger sample of local events (Maguire et al.). The near-UV to optical spectra of SN 2011fe are modelled with a Monte Carlo radiative transfer code using the technique of 'abundance tomography', constraining the density structure and the abundance stratification in the SN ejecta. SN 2011fe was a relatively weak explosion, with moderate Fe-group yields. The density structures of the classical model W7 and of a delayed detonation model were tested. Both have shortcomings. An ad hoc density distribution was developed which yields improved fits and is characterized by a high-velocity tail, which is absent in W7. However, this tail contains less mass than delayed detonation models. This improved model has a lower energy than one-dimensional explosion models matching typical SNe Ia (e.g. W7, WDD1; Iwamoto et al.). The derived Fe abundance in the outermost layer is consistent with the metallicity at the SN explosion site in M101 (similar to 0.5 Z(circle dot)). The spectroscopic rise-time (similar to 19 d) is significantly longer than that measured from the early optical light curve, implying a 'dark phase' of similar to 1 d. A longer rise-time has significant implications when deducing the properties of the white dwarf and binary system from the early photometric behaviour. C1 [Mazzali, P. A.] Liverpool John Moores Univ, Astrophys Res Inst, Liverpool L3 5RF, Merseyside, England. [Mazzali, P. A.; Hachinger, S.] Ist Nazl Astrofis OAPd, Vicolo Osservatorio 5, I-35122 Padua, Italy. [Mazzali, P. A.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Sullivan, M.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Hachinger, S.] Univ Wurzburg, Inst Theoret Phys & Astrophys, D-97074 Wurzburg, Germany. [Ellis, R. S.] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Nugent, P. E.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Nugent, P. E.; Thomas, R.] Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Howell, D. A.] Las Cumbres Observ Global Telescope Network, Goleta, CA 93117 USA. [Howell, D. A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Gal-Yam, A.] Weizmann Inst Sci, Benoziyo Ctr Astrophys, IL-76100 Rehovot, Israel. [Maguire, K.] Univ Oxford, Dept Phys Astrophys, Oxford OX1 3RH, England. [Cooke, J.] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia. [Nomoto, K.] Univ Tokyo, Kavli IPMU, Kashiwa, Chiba 2778583, Japan. [Walker, E. S.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. RP Mazzali, PA (reprint author), Liverpool John Moores Univ, Astrophys Res Inst, IC2,Liverpool Sci Pk,146 Brownlow Hill, Liverpool L3 5RF, Merseyside, England. EM mazzali@MPA-Garching.MPG.DE FU NASA [NAS 5-26555]; Italian Space Agency [ASI-INAF I/009/10/0]; Minerva foundation (ARCHES award); Royal Society; BSF; EU; ARCHES prize; Kimmel Award for Innovative Investigation; Minerva foundation; National Aeronautics and Space Administration; [12298] FX This work is based on observations made with the NASA/ESA HST, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. These observations are associated with programme #12298. Based on observations made with the Italian TNG operated on the island of La Palma by the Fundacion Galileo Galilei of the INAF (Istituto Nazionale di Astrofisica) at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias. We would like to thank the TNG staff for their support. PAM and SH acknowledge support from the Italian Space Agency under programme ASI-INAF I/009/10/0, and SH acknowledges further support from the Minerva foundation (ARCHES award). MS acknowledges support from the Royal Society. Research by AG is supported by grants from the BSF, the EU via an FP7/ERC grant, the ARCHES prize and the Kimmel Award for Innovative Investigation. Collaborative work between AG and PAM is supported by the Minerva foundation. We have made use of the NASA/IPAC Extragalactic Database (NED, http://nedwww.ipac.caltech.edu, operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration). NR 101 TC 50 Z9 50 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 2 BP 1959 EP 1979 DI 10.1093/mnras/stu077 PG 21 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6OS UT WOS:000334114000045 ER PT J AU Percival, WJ Ross, AJ Sanchez, AG Samushia, L Burden, A Crittenden, R Cuesta, AJ Magana, MV Manera, M Beutler, F Chuang, CH Eisenstein, DJ Ho, S McBride, CK Montesano, F Padmanabhan, N Reid, B Saito, S Schneider, DP Seo, HJ Tojeiro, R Weaver, BA AF Percival, Will J. Ross, Ashley J. Sanchez, Ariel G. Samushia, Lado Burden, Angela Crittenden, Robert Cuesta, Antonio J. Magana, Mariana Vargas Manera, Marc Beutler, Florian Chuang, Chia-Hsun Eisenstein, Daniel J. Ho, Shirley McBride, Cameron K. Montesano, Francesco Padmanabhan, Nikhil Reid, Beth Saito, Shun Schneider, Donald P. Seo, Hee-Jong Tojeiro, Rita Weaver, Benjamin A. TI The clustering of Galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: including covariance matrix errors SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE cosmology: observations; distance scale; large-scale structure of Universe ID DIGITAL SKY SURVEY; LARGE-SCALE STRUCTURE; DATA RELEASE; UNIVERSE; GROWTH; SAMPLE; Z=0.57 AB We present improved methodology for including covariance matrices in the error budget of Baryon Oscillation Spectroscopic Survey (BOSS) galaxy clustering measurements, revisiting Data Release 9 (DR9) analyses, and describing a method that is used in DR10/11 analyses presented in companion papers. The precise analysis method adopted is becoming increasingly important, due to the precision that BOSS can now reach: even using as many as 600 mock catalogues to estimate covariance of two-point clustering measurements can still lead to an increase in the errors of similar to 20 per cent, depending on how the cosmological parameters of interest are measured. In this paper, we extend previous work on this contribution to the error budget, deriving formulae for errors measured by integrating over the likelihood, and to the distribution of recovered best-fitting parameters fitting the simulations also used to estimate the covariance matrix. Both are situations that previous analyses of BOSS have considered. We apply the formulae derived to baryon acoustic oscillation (BAO) and redshift-space distortion (RSD) measurements from BOSS in our companion papers. To further aid these analyses, we consider the optimum number of bins to use for two-point measurements using the monopole power spectrum or correlation function for BAO, and the monopole and quadrupole moments of the correlation function for anisotropic-BAO and RSD measurements. C1 [Percival, Will J.; Ross, Ashley J.; Samushia, Lado; Burden, Angela; Crittenden, Robert; Manera, Marc; Tojeiro, Rita] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth P01 3FX, Hants, England. [Sanchez, Ariel G.; Montesano, Francesco; Padmanabhan, Nikhil] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, GE-1060 Tbilisi, Rep of Georgia. [Cuesta, Antonio J.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Magana, Mariana Vargas; Ho, Shirley] Carnegie Mellon Univ, Dept Phys, Bruce & Astrid McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Beutler, Florian; Reid, Beth; Saito, Shun; Seo, Hee-Jong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Chuang, Chia-Hsun] Univ Autonoma Madrid, Inst Fs Teor, UAM CSIC, E-28049 Madrid, Spain. [Eisenstein, Daniel J.; McBride, Cameron K.] Harvard Univ, Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Saito, Shun] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Todai Inst Adv Study, Chiba 2778582, Japan. [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. [Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. RP Percival, WJ (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth P01 3FX, Hants, England. EM will.percival@port.ac.uk RI Ho, Shirley/P-3682-2014; OI Ho, Shirley/0000-0002-1068-160X; Beutler, Florian/0000-0003-0467-5438; Cuesta Vazquez, Antonio Jose/0000-0002-4153-9470 FU UK Science & Technology Facilities Council (STFC) [ST/K0090X/1]; European Research Council [202686]; Trans-regional Collaborative Research Centre 'The Dark Universe' of the German Research Foundation (DFG) [TR33]; HEFCE; STFC; CGI/Intel; Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX WJP acknowledges support from the UK Science & Technology Facilities Council (STFC) through the consolidated grant ST/K0090X/1 and from the European Research Council through the 'Starting Independent Research' grant 202686, MDEPUGS. AGS acknowledges support from the Trans-regional Collaborative Research Centre TR33 'The Dark Universe' of the German Research Foundation (DFG). Power spectrum calculations and fits made use of the COSMOS/Universe super-computer, a UK-Dirac facility supported by HEFCE and STFC in cooperation with CGI/Intel.; 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. NR 31 TC 49 Z9 49 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 3 BP 2531 EP 2541 DI 10.1093/mnras/stu112 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6PB UT WOS:000334114900025 ER PT J AU Matt, G Marinucci, A Guainazzi, M Brenneman, LW Elvis, M Lohfink, A Arevalo, P Boggs, SE Cappi, M Christensen, FE Craig, WW Fabian, AC Fuerst, F Hailey, CJ Harrison, FA Parker, M Reynolds, CS Stern, D Walton, DJ Zhang, WW AF Matt, G. Marinucci, A. Guainazzi, M. Brenneman, L. W. Elvis, M. Lohfink, A. Arevalo, P. Boggs, S. E. Cappi, M. Christensen, F. E. Craig, W. W. Fabian, A. C. Fuerst, F. Hailey, C. J. Harrison, F. A. Parker, M. Reynolds, C. S. Stern, D. Walton, D. J. Zhang, W. W. TI The soft-X-ray emission of Ark 120. XMM-Newton, NuSTAR, and the importance of taking the broad view SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE accretion, accretion discs; galaxies: active; galaxies: individual: Ark 120 ID ACTIVE GALACTIC NUCLEI; BLACK-HOLE SPIN; LINE REGION SIZES; SUZAKU OBSERVATIONS; CENTRAL MASSES; SKY SURVEY; SPECTRA; EXCESS; PHOTOIONIZATION; SEYFERT-1 AB We present simultaneous XMM-Newton and NuSTAR observations of the 'bare' Seyfert 1 galaxy, Ark 120, a system in which ionized absorption is absent. The NuSTAR hard-X-ray spectral coverage allows us to constrain different models for the excess soft-X-ray emission. Among phenomenological models, a cutoff power law best explains the soft-X-ray emission. This model likely corresponds to Comptonization of the accretion disc seed UV photons by a population of warm electrons: using Comptonization models, a temperature of similar to 0.3 keV and an optical depth of similar to 13 are found. If the UV-to-X-ray optxagnf model is applied, the UV fluxes from the XMM-Newton Optical Monitor suggest an intermediate black hole spin. Contrary to several other sources observed by NuSTAR, no high-energy cutoff is detected with a lower limit of 190 keV. C1 [Matt, G.; Marinucci, A.] Univ Roma Tre, Dipartimento Matemat & Fis, I-00146 Rome, Italy. [Guainazzi, M.] European Space Astron Ctr ESA, E-28080 Madrid, Spain. [Brenneman, L. W.; Elvis, M.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Lohfink, A.; Reynolds, C. S.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Arevalo, P.] Pontificia Univ Catolica Chile, Inst Astrofis, Fac Fis, Santiago 22, Chile. [Boggs, S. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Cappi, M.] IASF Bologna, INAF, I-40129 Bologna, Italy. [Christensen, F. E.; Craig, W. W.] Tech Univ Denmark, DTU Space Natl Space Inst, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fabian, A. C.; Parker, M.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Fuerst, F.; Harrison, F. A.; Walton, D. J.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Stern, D.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Zhang, W. W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Matt, G (reprint author), Univ Roma Tre, Dipartimento Matemat & Fis, Via Vasca Navale 84, I-00146 Rome, Italy. EM matt@fis.uniroma3.it RI Boggs, Steven/E-4170-2015; Cappi, Massimo/F-4813-2015; OI Boggs, Steven/0000-0001-9567-4224; Cappi, Massimo/0000-0001-6966-8920 FU National Aeronautics and Space Administration; ESA Member States; USA (NASA); Italian Space Agency under grant ASI/INAF [I/037/12/0-011/13]; European Union [312789] FX We thank the anonymous referee for useful comments which helped us to improve the clarity of the paper, and Chris Done for comments and advices on the OPTXAGNF model. This work has made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NUSTARDAS jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). The work is also based on observations obtained with XMM-Newton, an ESA science mission with instruments and contributions directly funded by ESA Member States and the USA (NASA). GM and AM acknowledge financial support from Italian Space Agency under grant ASI/INAF I/037/12/0-011/13 and from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement n. 312789. NR 32 TC 26 Z9 26 U1 0 U2 5 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 3 BP 3016 EP 3021 DI 10.1093/mnras/stu159 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6PB UT WOS:000334114900063 ER PT J AU Myers, AT Klein, RI Krumholz, MR McKee, CF AF Myers, Andrew T. Klein, Richard I. Krumholz, Mark R. McKee, Christopher F. TI Star cluster formation in turbulent, magnetized dense clumps with radiative and outflow feedback SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE magnetic fields; radiative transfer; turbulence; stars: formation; stars: luminosity function, mass function; stars: protostars ID INITIAL MASS FUNCTION; ADAPTIVE MESH REFINEMENT; SELF-SIMILAR COLLAPSE; ORION NEBULA CLUSTER; MOLECULAR CLOUDS; DRIVEN TURBULENCE; FORMING REGIONS; MHD TURBULENCE; HYDRODYNAMIC SIMULATIONS; INTERSTELLAR TURBULENCE AB We present three orion simulations of star cluster formation in a 1000 M-circle dot, turbulent molecular cloud clump, including the effects of radiative transfer, protostellar outflows, and magnetic fields. Our simulations all use self-consistent turbulent initial conditions and vary the mean mass-to-flux ratio relative to the critical value over mu(Phi) = 2, mu(Phi) = 10, and mu(Phi) = infinity to gauge the influence of magnetic fields on star cluster formation. We find, in good agreement with previous studies, that magnetic fields corresponding to mu(Phi) = 2 lower the star formation rate by a factor of approximate to 2.4 and reduce the amount of fragmentation by a factor of approximate to 2 relative to the zero-field case. We also find that the field increases the characteristic sink particle mass, again by a factor of approximate to 2.4. The magnetic field also increases the degree of clustering in our simulations, such that the maximum stellar densities in the mu(Phi) = 2 case are higher than the others by again a factor of approximate to 2. This clustering tends to encourage the formation of multiple systems, which are more common in the rad-MHD runs than the rad-hydro run. The companion frequency in our simulations is consistent with observations of multiplicity in Class I sources, particularly for the mu(Phi) = 2 case. Finally, we find evidence of primordial mass segregation in our simulations reminiscent of that observed in star clusters like the Orion Nebula Cluster. C1 [Myers, Andrew T.; McKee, Christopher F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Klein, Richard I.; McKee, Christopher F.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Klein, Richard I.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Krumholz, Mark R.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. RP Myers, AT (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM atmyers@gmail.com OI Krumholz, Mark/0000-0003-3893-854X FU NASA through ATP [NNX13AB84G]; Chandra Space Telescope grant; NSF [AST-0908553, NSF12-11729, CAREER-0955300]; Alfred P. Sloan Fellowship; US Department of Energy at the Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-B602360]; NASA through ATFP FX ATM wishes to acknowledge the anonymous referee for a thorough report that improved the paper, and to thank Andrew Cunningham and Eve Lee for fruitful discussions while the paper was in preparation. Support for this work was provided by NASA through ATP grant NNX13AB84G (RIK, MRK, and CFM) and a Chandra Space Telescope grant (MRK); the NSF through grants AST-0908553 and NSF12-11729 (ATM, RIK, and CFM) and grant CAREER-0955300 (MRK); an Alfred P. Sloan Fellowship (MRK); and the US Department of Energy at the Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 (AJC and RIK) and grant LLNL-B602360 (ATM). Supercomputing support was provided by NASA through a grant from the ATFP. We have used the YT toolkit (Turk et al. 2011) for data analysis and plotting. NR 104 TC 35 Z9 36 U1 1 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 4 BP 3420 EP 3438 DI 10.1093/mnras/stu190 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6PG UT WOS:000334115400018 ER PT J AU Samushia, L Reid, BA White, M Percival, WJ Cuesta, AJ Zhao, GB Ross, AJ Manera, M Aubourg, E Beutler, F Brinkmann, J Brownstein, JR Dawson, KS Eisenstein, DJ Ho, S Honscheid, K Maraston, C Montesano, F Nichol, RC Roe, NA Ross, NP Sanchez, AG Schlegel, DJ Schneider, DP Streblyanska, A Thomas, D Tinker, JL Wake, DA Weaver, BA Zehavi, I AF Samushia, Lado Reid, Beth A. White, Martin Percival, Will J. Cuesta, Antonio J. Zhao, Gong-Bo Ross, Ashley J. Manera, Marc Aubourg, Eric Beutler, Florian Brinkmann, Jon Brownstein, Joel R. Dawson, Kyle S. Eisenstein, Daniel J. Ho, Shirley Honscheid, Klaus Maraston, Claudia Montesano, Francesco Nichol, Robert C. Roe, Natalie A. Ross, Nicholas P. Sanchez, Ariel G. Schlegel, David J. Schneider, Donald P. Streblyanska, Alina Thomas, Daniel Tinker, Jeremy L. Wake, David A. Weaver, Benjamin A. Zehavi, Idit TI The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: measuring growth rate and geometry with anisotropic clustering SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitation; cosmological parameters; dark energy; dark matter; distance scale; large-scale structure of Universe ID DIGITAL SKY SURVEY; DARK ENERGY SURVEY; SPACE DISTORTION MEASUREMENTS; REDSHIFT-SPACE; ACOUSTIC-OSCILLATIONS; COSMOLOGICAL CONSTANT; COSMIC ACCELERATION; SYSTEMATIC-ERRORS; CENT DISTANCE; SCALE AB We use the observed anisotropic clustering of galaxies in the Baryon Oscillation Spectroscopic Survey Data Release 11 CMASS sample to measure the linear growth rate of structure, the Hubble expansion rate and the comoving distance scale. Our sample covers 8498 deg(2) and encloses an effective volume of 6 Gpc(3) at an effective redshift of (z) over bar = 0.57. We find f Sigma(8) = 0.441 +/- 0.044, H = 93.1 +/- 3.0 km s(-1) Mpc(-1) and D-A = 1380 +/- 23 Mpc when fitting the growth and expansion rate simultaneously. When we fix the background expansion to the one predicted by spatially flat Lambda cold dark matter (Lambda CDM) model in agreement with recent Planck results, we find f Sigma(8) = 0.447 +/- 0.028 (6 per cent accuracy). While our measurements are generally consistent with the predictions of Lambda CDM and general relativity, they mildly favour models in which the strength of gravitational interactions is weaker than what is predicted by general relativity. Combining our measurements with recent cosmic microwave background data results in tight constraints on basic cosmological parameters and deviations from the standard cosmological model. Separately varying these parameters, we find w = -0.983 +/- 0.075 (8 per cent accuracy) and gamma = 0.69 +/- 0.11 (16 per cent accuracy) for the effective equation of state of dark energy and the growth rate index, respectively. Both constraints are in good agreement with the standard model values of w = -1 and gamma = 0.554. C1 [Samushia, Lado; Percival, Will J.; Zhao, Gong-Bo; Ross, Ashley J.; Manera, Marc; Maraston, Claudia; Nichol, Robert C.; Thomas, Daniel] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth P01 3FX, Hants, England. [Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, GE-1060 Tbilisi, Rep of Georgia. [Reid, Beth A.; White, Martin; Beutler, Florian; Roe, Natalie A.; Ross, Nicholas P.; Schlegel, David J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Reid, Beth A.; White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Reid, Beth A.; White, Martin] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Cuesta, Antonio J.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Cuesta, Antonio J.] CSIC, IEEC UB, Inst Ciencies Cosmos, E-08028 Barcelona, Spain. [Zhao, Gong-Bo] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China. [Manera, Marc] UCL, London WC1E 6BT, England. [Aubourg, Eric] Univ Paris Diderot, CNRS, IN2P3, APC,CEA Irfu,Obs Paris,Sorbonne Paris Cit, F-75205 Paris, France. [Brinkmann, Jon] Apache Point Observ, Sunspot, NM 88349 USA. [Brownstein, Joel R.; Dawson, Kyle S.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Eisenstein, Daniel J.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Ho, Shirley] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Honscheid, Klaus] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Honscheid, Klaus] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Montesano, Francesco; Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Ross, Nicholas P.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 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. [Streblyanska, Alina] IAC, E-38200 Tenerife, Spain. [Streblyanska, Alina] ULL, Dept Astrofis, E-38206 Tenerife, Spain. [Tinker, Jeremy L.; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Wake, David A.] Univ Wisconsin Madison, Dept Astron, Madison, WI 53706 USA. [Wake, David A.] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England. [Zehavi, Idit] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. RP Samushia, L (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth P01 3FX, Hants, England. EM lado.samushia@port.ac.uk RI Ho, Shirley/P-3682-2014; White, Martin/I-3880-2015; OI Ho, Shirley/0000-0002-1068-160X; White, Martin/0000-0001-9912-5070; Beutler, Florian/0000-0003-0467-5438; Cuesta Vazquez, Antonio Jose/0000-0002-4153-9470 FU European Research Council; NASA through Hubble Fellowship [51280]; Space Telescope Science Institute; NASA [NAS 5-26555]; Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX LS gratefully acknowledges support by the European Research Council. BAR gratefully acknowledges support provided by NASA through Hubble Fellowship grant 51280 awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., for NASA, under contract NAS 5-26555. 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. NR 81 TC 116 Z9 116 U1 2 U2 9 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 4 BP 3504 EP 3519 DI 10.1093/mnras/stu197 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6PG UT WOS:000334115400024 ER PT J AU White, M AF White, Martin TI The Zel'dovich approximation SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitation; galaxies: haloes; galaxies: statistics; cosmological parameters; large-scale structure of Universe ID LARGE-SCALE STRUCTURE; N-BODY SIMULATIONS; LAGRANGIAN PERTURBATION-THEORY; QUASI-LINEAR REGIME; REDSHIFT-SPACE; GRAVITATIONAL-INSTABILITY; MODEL; GALAXIES; UNIVERSE; ACCURATE AB This year marks the 100th anniversary of the birth of Yakov Zel'dovich. Amongst his many legacies is the Zel'dovich approximation for the growth of large-scale structure, which remains one of the most successful and insightful analytic models of structure formation. We use the Zel'dovich approximation to compute the two-point function of the matter and biased tracers, and compare to the results of N-body simulations and other Lagrangian perturbation theories. We show that Lagrangian perturbation theories converge well and that the Zel'dovich approximation provides a good fit to the N-body results except for the quadrupole moment of the halo correlation function. We extend the calculation of halo bias to third order and also consider non-local biasing schemes, none of which remove the discrepancy. We argue that a part of the discrepancy owes to an incorrect prediction of inter-halo velocity correlations. We use the Zel'dovich approximation to compute the ingredients of the Gaussian streaming model and show that this hybrid method provides a good fit to clustering of haloes in redshift space down to scales of tens of Mpc. C1 [White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [White, Martin] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [White, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP White, M (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM mwhite@berkeley.edu RI White, Martin/I-3880-2015 OI White, Martin/0000-0001-9912-5070 FU NASA FX MW would like to thank Matt McQuinn for numerous helpful conversations about this work and the referee, Adrian Melott, for comments which improved the draft. MW is supported by NASA. This work made extensive use of the NASA Astrophysics Data System and of the astro-ph preprint archive at arXiv.org. The analysis made use of the computing resources of the National Energy Research Scientific Computing Center. NR 58 TC 27 Z9 27 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR PY 2014 VL 439 IS 4 BP 3630 EP 3640 DI 10.1093/mnras/stu209 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE6PG UT WOS:000334115400033 ER PT J AU Manley, ME Lynn, JW Abernathy, DL Specht, ED Delaire, O Bishop, AR Sahul, R Budai, JD AF Manley, M. E. Lynn, J. W. Abernathy, D. L. Specht, E. D. Delaire, O. Bishop, A. R. Sahul, R. Budai, J. D. TI Phonon localization drives polar nanoregions in a relaxor ferroelectric SO NATURE COMMUNICATIONS LA English DT Article ID ANDERSON LOCALIZATION; CRYSTALS; SCATTERING; BEHAVIOR; MODES AB Relaxor ferroelectrics exemplify a class of functional materials where interplay between disorder and phase instability results in inhomogeneous nanoregions. Although known for about 30 years, there is no definitive explanation for polar nanoregions (PNRs). Here we show that ferroelectric phonon localization drives PNRs in relaxor ferroelectric PMN-30% PT using neutron scattering. At the frequency of a preexisting resonance mode, nanoregions of standing ferroelectric phonons develop with a coherence length equal to one wavelength and the PNR size. Anderson localization of ferroelectric phonons by resonance modes explains our observations and, with nonlinear slowing, the PNRs and relaxor properties. Phonon localization at additional resonances near the zone edges explains competing antiferroelectric distortions known to occur at the zone edges. Our results indicate the size and shape of PNRs that are not dictated by complex structural details, as commonly assumed, but by phonon resonance wave vectors. This discovery could guide the design of next generation relaxor ferroelectrics. C1 [Manley, M. E.; Specht, E. D.; Delaire, O.; Budai, J. D.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Lynn, J. W.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Abernathy, D. L.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Bishop, A. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Sahul, R.] TRS Technol, State Coll, PA 16801 USA. RP Manley, ME (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM manleyme@ornl.gov RI Abernathy, Douglas/A-3038-2012; Manley, Michael/N-4334-2015; BL18, ARCS/A-3000-2012; Budai, John/R-9276-2016 OI Abernathy, Douglas/0000-0002-3533-003X; Budai, John/0000-0002-7444-1306 FU US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; National Institute of Standards and Technology, US Department of Commerce; US Department of Energy, Office of Basic Energy Sciences FX Research was sponsored by the US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. We acknowledge the support of the National Institute of Standards and Technology, US Department of Commerce, in providing the neutron research facilities used in this work. The identification of any commercial product or trade name does not imply endorsement or recommendation by the National Institute of Standards and Technology. The portion of this research performed at the Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the US Department of Energy, Office of Basic Energy Sciences. We acknowledge discussions with Takeshi Egami, Sergey Vakhrushev and Alexander Taganstev. We also thank Judy Pang, Ben Larson and Chen Li for proof reading the manuscript. NR 44 TC 25 Z9 25 U1 4 U2 78 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 APR PY 2014 VL 5 AR 3683 DI 10.1038/ncomms4683 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AG2CB UT WOS:000335221900002 PM 24718289 ER PT J AU Pulecio, JF Warnicke, P Pollard, SD Arena, DA Zhu, Y AF Pulecio, J. F. Warnicke, P. Pollard, S. D. Arena, D. A. Zhu, Y. TI Coherence and modality of driven interlayer-coupled magnetic vortices SO NATURE COMMUNICATIONS LA English DT Article ID DOMAIN-WALL MOTION; VORTEX-CORE; RESONANT AMPLIFICATION; PHASE-LOCKING; OSCILLATIONS; DYNAMICS; PULSES; CHAOS; FIELD AB The high-frequency dynamics of mode-coupled magnetic vortices have generated great interest for spintronic technologies, such as spin-torque nano-oscillators. While the spectroscopic characteristics of vortex oscillators have been reported, direct imaging of driven coupled magnetic quasi-particles is essential to the fundamental understanding of the dynamics involved. Here, we present the first direct imaging study of driven interlayer coaxial vortices in the dipolar-and indirect exchange-coupled regimes. Employing in situ high-frequency excitation with Lorentz microscopy, we directly observe the steady-state orbital amplitudes in real space with sub-5 nm spatial resolution. We discuss the unique frequency response of dipolar-and exchange-coupled vortex motion, wherein mode splitting and locking demonstrates large variations in coherent motion, as well as detail the resultant orbital amplitudes. This provides critical insights of the fundamental features of collective vortex-based microwave generators, such as their steady-state amplitudes, tunability and mode-coupled motion. C1 [Pulecio, J. F.; Pollard, S. D.; Zhu, Y.] Brookhaven Natl Lab, Dept Condensed Matter Phys, Upton, NY 11973 USA. [Warnicke, P.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Pollard, S. D.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Arena, D. A.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Pulecio, JF (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys, Upton, NY 11973 USA. EM javier.f.pulecio@gmail.com; zhu@bnl.gov RI Pollard, Shawn/H-2722-2012; Pollard, Shawn/I-5360-2015; OI Warnicke, Peter/0000-0002-5252-6392; Pollard, Shawn/0000-0001-9691-0997 FU US Department of Energy, Basic Energy Sciences [DE-AC02-98CH10886]; Center for Functional Nanomaterials, Brookhaven National Laboratory FX This research was full supported by the US Department of Energy, Basic Energy Sciences, under Contract no. DE-AC02-98CH10886. Fabrication of the devices was supported in part by the Center for Functional Nanomaterials, Brookhaven National Laboratory. We would like to thank Fernando Camino and Anthony Bollinger for technical assistance. NR 43 TC 5 Z9 5 U1 2 U2 36 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 APR PY 2014 VL 5 AR 3760 DI 10.1038/ncomms4760 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AG2CW UT WOS:000335224400001 PM 24781790 ER PT J AU Auge, WK Ganguly, K Goodwin, PM Gadomski, A Gehlert, RJ AF Auge, W. K. Ganguly, K. Goodwin, P. M. Gadomski, A. Gehlert, R. J. TI LIPID DISTRIBUTION IN HUMAN KNEE AND HIP ARTICULAR CARTILAGE CORRELATED TO TISSUE SURFACE ROUGHNESS AND SURFACE ACTIVE PHOSPHOLIPID LAYER PRESENCE: EVIDENCE OF COOPERATIVE INTERFACIAL LIPID DELIVERY MECHANISMS SO OSTEOARTHRITIS AND CARTILAGE LA English DT Meeting Abstract CT World Congress of the Osteoarthritis-Research-Society-International (OARSI) CY APR 24-27, 2014 CL Paris, FRANCE SP Osteoarthritis Res Soc Int C1 [Auge, W. K.] NuOrtho Surg Inc, Dept Res & Dev, Fall River, MA USA. [Ganguly, K.] Los Alamos Natl Lab, BioSci Div, Los Alamos, NM USA. [Goodwin, P. M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM USA. [Gadomski, A.] Univ Technol & Life Sc, Inst Math & Phys, Dept Phys, Bydgoszcz, Poland. [Gehlert, R. J.] Univ New Mexico, Dept Orthopaed & Rehabil, Albuquerque, NM 87131 USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1063-4584 EI 1522-9653 J9 OSTEOARTHR CARTILAGE JI Osteoarthritis Cartilage PD APR PY 2014 VL 22 SU S BP S312 EP S313 PG 2 WC Orthopedics; Rheumatology SC Orthopedics; Rheumatology GA AG4XX UT WOS:000335424800562 ER PT J AU Donovan, D Nygren, R Buchenauer, D Watkins, J Rudakov, D Leonard, A Wong, CPC Makowski, M AF Donovan, D. Nygren, R. Buchenauer, D. Watkins, J. Rudakov, D. Leonard, A. Wong, C. P. C. Makowski, M. TI Divertor sheath power studies in DIII-D using fixed Langmuir probes and three-dimensional modeling of tile heat flows SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 14th International Conference on Plasma-Facing Materials and Components(PFMC) CY MAY, 2013 CL undefined, GERMANY DE fusion; DIII-D; divertor; sheath; Langmuir probe; thermocouple ID TRANSMISSION FACTOR AB Experimental results are presented from the three-Langmuir probe (LP) diagnostic head of the divertor material evaluation system (DiMES) on DIII-D that confirm the size of the projected current collection area of the LPs, which is essential for properly measuring ion saturation current density (J(sat)) and the sheath power transmission factor (SPTF). Also using the 3-LP DiMES head, the hypothesis that collisional effects on plasma density occurring in the magnetic sheath of the tile are responsible for a lower than expected SPTF is tested and deemed not to have a significant impact on the SPTF. Three-dimensional thermal modeling of wall tiles is presented that accounts for lateral heat conduction, temperature dependence of tile material properties and radiative heat loss from the tile surface. This modeling was developed to be used in the analysis of temperature profiles of the divertor embedded thermocouple (TC) array to obtain more accurate interpretations of TC temperature profiles to infer divertor surface heat flux than have previously been accomplished using more basic one-dimensional methods. C1 [Donovan, D.; Buchenauer, D.; Watkins, J.] Sandia Natl Labs, Livermore, CA 94550 USA. [Nygren, R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Rudakov, D.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Leonard, A.; Wong, C. P. C.] Gen Atom Co, San Diego, CA 92186 USA. [Makowski, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Donovan, D (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. EM dcdonov@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000, 2013-3918 C]; US Department of Energy [DE-AC03-89ER51114, DE-FC02-04ER54698, DE-AC52-07NA27344, 44500007360] 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 US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000, SAND number: 2013-3918 C. This work was also supported by US Department of Energy under DE-AC03-89ER51114, DE-FC02-04ER54698, DE-AC52-07NA27344 and 44500007360. NR 12 TC 1 Z9 1 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD APR PY 2014 VL T159 AR 014064 DI 10.1088/0031-8949/2014/T159/014064 PG 6 WC Physics, Multidisciplinary SC Physics GA AF6TP UT WOS:000334847800065 ER PT J AU Meyer, FW Hijazi, H Bannister, ME Krstic, PS Dadras, J Meyer, HM Parish, CM AF Meyer, F. W. Hijazi, H. Bannister, M. E. Krstic, P. S. Dadras, J. Meyer, H. M., III Parish, C. M. TI He-ion and self-atom induced damage and surface-morphology changes of a hot W target SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 14th International Conference on Plasma-Facing Materials and Components(PFMC) CY MAY, 2013 CL undefined, GERMANY DE tungsten; helium; irradiation damage; nanostructuring; nano-fuzz ID TUNGSTEN AB We report results of measurements on the evolution of the surface morphology of a hot tungsten surface due to impacting low-energy (80-12 000 eV) He ions and of simulations of damage caused by cumulative bombardment of 1 and 10 keV W self-atoms. The measurements were performed at the ORNL Multicharged Ion Research Facility, while the simulations were done at the Kraken supercomputing facility of the University of Tennessee. At 1 keV, the simulations show strong defect-recombination effects that lead to a saturation of the total defect number after a few hundred impacts, while sputtering leads to an imbalance of the vacancy and interstitial number. On the experimental side, surface morphology changes were investigated over a broad range of fluences, energies and temperatures for both virgin and pre-damaged W-targets. At the lowest accumulated fluences, small surface-grain features and near-surface He bubbles are observed. At the largest fluences, individual grain characteristics disappear in focused ion beam/scanning electron microscopy (FIB/SEM) scans, and the entire surface is covered by a multitude of near-surface bubbles with a broad range of sizes, and disordered whisker growth, while in top-down SEM imaging the surface is virtually indistinguishable from the nano-fuzz produced on linear plasma devices. These features are evident at progressively lower fluences as the He-ion energy is increased. C1 [Meyer, F. W.; Hijazi, H.; Bannister, M. E.; Dadras, J.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Krstic, P. S.] Univ Tennessee, Joint Inst Computat Sci, Knoxville, TN 37831 USA. [Meyer, H. M., III; Parish, C. M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Meyer, FW (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM meyerfw@ornl.gov RI Parish, Chad/J-8381-2013; OI Parish, Chad/0000-0003-1209-7439 FU LDRD Program of Oak Ridge National Laboratory; Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Program; Office of Basic Energy Sciences, US Department of Energy FX This research was sponsored by the LDRD Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy. HH was appointed through the ORNL Postdoctoral Research Associates Program administered jointly by Oak Ridge Institute of Science and Education (ORISE), Oak Ridge Associated Universities (ORAU) and Oak Ridge National Laboratory (ORNL). SEM and FIB/SEM instruments supported by Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Program, which is sponsored by the Office of Basic Energy Sciences, US Department of Energy. PSK and MJD acknowledge allocation of advanced computing resources provided by the National Science Foundation. The computations were performed on Kraken at the National Institute for Computational Sciences. NR 14 TC 7 Z9 8 U1 0 U2 19 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD APR PY 2014 VL T159 AR 014029 DI 10.1088/0031-8949/2014/T159/014029 PG 6 WC Physics, Multidisciplinary SC Physics GA AF6TP UT WOS:000334847800030 ER PT J AU Ren, J Hu, JS Zuo, GZ Sun, Z Li, JG Ruzic, DN Zakharov, LE AF Ren, J. Hu, J. S. Zuo, G. Z. Sun, Z. Li, J. G. Ruzic, D. N. Zakharov, L. E. TI First results of flowing liquid lithium limiter in HT-7 SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 14th International Conference on Plasma-Facing Materials and Components(PFMC) CY MAY, 2013 CL undefined, GERMANY DE lithium; plasma facing component; tokamak; HT-7 ID TOKAMAK AB Two different types of flowing liquid lithium limiters were firstly installed and successfully tested in HT-7 tokamaks in 2012 and some encouraging results were obtained. Two limiters of the first type, called FLiLi limiters, used a thin lithium layer flowing under gravity. The other type had lithium-metal infused trenches (LIMIT) for thermoelectric magnetohydrodynamic drive of the liquid metal flow. The surface of one of the FLiLi limiters was coated by evaporated lithium before liquid lithium was injected by Ar pressure into a special distributor of the limiter. Then the liquid lithium could slowly move along the plasma facing guide surface of the limiter due to gravity. For LIMIT, it was found that liquid lithium could flow along the trenches as expected with a velocity of about 3.7 +/- 0.5 cm s(-1) driven by the electromagnetic force, which came from the interaction between the thermoelectric current and magnetic field. Use of flowing liquid lithium limiters in HT-7 resulted in reduction of particle recycling, suppression of impurity emission and improvement of the confinement. C1 [Ren, J.; Hu, J. S.; Zuo, G. Z.; Sun, Z.; Li, J. G.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Ruzic, D. N.] Univ Illinois, Urbana, IL 61801 USA. [Zakharov, L. E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ren, J (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. EM hujs@ipp.ac.cn FU National Magnetic Confinement Fusion Science Program [2013GB114004]; National Natural Science Foundation of China [11075185, 11021565]; US DoE [DE-AC02-09-CH11466] FX This research was funded by National Magnetic Confinement Fusion Science Program under contract no. 2013GB114004, National Natural Science Foundation of China under contract no. 11075185 and no. 11021565, and by US DoE contract no. DE-AC02-09-CH11466. NR 14 TC 11 Z9 11 U1 3 U2 22 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD APR PY 2014 VL T159 AR 014033 DI 10.1088/0031-8949/2014/T159/014033 PG 5 WC Physics, Multidisciplinary SC Physics GA AF6TP UT WOS:000334847800034 ER PT J AU Rudakov, DL Stangeby, PC Wampler, WR Brooks, JN Brooks, NH Elder, JD Hassanein, A Leonard, AW McLean, AG Moyer, RA Sizyuk, T Watkins, JG Wong, CPC AF Rudakov, D. L. Stangeby, P. C. Wampler, W. R. Brooks, J. N. Brooks, N. H. Elder, J. D. Hassanein, A. Leonard, A. W. McLean, A. G. Moyer, R. A. Sizyuk, T. Watkins, J. G. Wong, C. P. C. TI Net versus gross erosion of high-Z materials in the divertor of DIII-D SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 14th International Conference on Plasma-Facing Materials and Components(PFMC) CY MAY, 2013 CL undefined, GERMANY ID ASDEX UPGRADE; REDEPOSITION; DEPOSITION; MOLYBDENUM; TUNGSTEN; CARBON AB A substantial reduction of net compared to gross erosion of molybdenum and tungsten was observed in experiments conducted in the lower divertor of DIII-D using the divertor material evaluation system. Post-exposure net erosion of molybdenum and tungsten films was measured by Rutherford backscattering (RBS) yielding net erosion rates of 0.4-0.7 nm s(-1) for Mo and similar to 0.14 nm s(-1) for W. Gross erosion was estimated using RBS on a 1 mm diameter sample, where re-deposition is negligible. Net erosion on a 1 cm diameter sample was reduced compared to gross erosion by factors of similar to 2 for Mo and similar to 3 for W. The experiment was modeled with the REDEP/WBC erosion/re-deposition code package coupled to the Ion Transport in Materials and Compounds-DYNamics mixed-material code, with plasma conditions supplied by the Onion skin modeling + Eirene + Divimp for edGE modeling code with input from divertor Langmuir probes. The code-calculated net/gross erosion rate ratios of 0.46 for Mo and 0.33 for W are in agreement with the experiment. C1 [Rudakov, D. L.; Moyer, R. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Stangeby, P. C.; Elder, J. D.] Univ Toronto, Inst Aerosp Studies, Toronto, ON M3H 5T6, Canada. [Wampler, W. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Brooks, J. N.; Hassanein, A.; Sizyuk, T.] Purdue Univ, W Lafayette, IN 47907 USA. [Brooks, N. H.; Leonard, A. W.; Wong, C. P. C.] Gen Atom, San Diego, CA 92186 USA. [McLean, A. G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Watkins, J. G.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Rudakov, DL (reprint author), Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM rudakov@fusion.gat.com FU US Department of Energy [DE-FG02-07ER54917, DE-AC04-94AL85000, DE-FC02-04ER54698, DE-AC52-07NA27344]; National Sciences and Engineering Research Council of Canada; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported in part by the US Department of Energy under DE-FG02-07ER54917, DE-AC04-94AL85000, DE-FC02-04ER54698 and DE-AC52-07NA27344 and a grant from the National Sciences and Engineering Research Council of Canada. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 18 TC 5 Z9 5 U1 3 U2 22 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD APR PY 2014 VL T159 AR 014030 DI 10.1088/0031-8949/2014/T159/014030 PG 6 WC Physics, Multidisciplinary SC Physics GA AF6TP UT WOS:000334847800031 ER PT J AU Sabau, AS Ohriner, EK Kiggans, J Harper, DC Snead, LL Schaich, CR AF Sabau, Adrian S. Ohriner, Evan K. Kiggans, Jim Harper, David C. Snead, Lance L. Schaich, Charles R. TI Facility for high-heat flux testing of irradiated fusion materials and components using infrared plasma arc lamps SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 14th International Conference on Plasma-Facing Materials and Components(PFMC) CY MAY, 2013 CL undefined, GERMANY DE high-heat flux testing; tungsten; infrared; arc lamp; plasma arc; divertor AB A new high-heat flux testing (HHFT) facility using water-wall stabilized high-power high-pressure argon plasma arc lamps (PALs) has been developed for fusion applications. It can accommodate irradiated plasma facing component materials and sub-size mock-up divertor components. Two PALs currently available at Oak Ridge National Laboratory can provide maximum incident heat fluxes of 4.2 and 27 MW m(-2), which are prototypic of fusion steady state heat flux conditions, over a heated area of 9x12 and 1x10 cm(2), respectively. The use of PAL permits the heat source to be environmentally separated from the components of the test chamber, simplifying the design to accommodate safe testing of low-level irradiated articles and materials under high-heat flux. Issues related to the operation and temperature measurements during testing of tungsten samples are presented and discussed. The relative advantages and disadvantages of this photon-based HHFT facility are compared to existing e-beam and particle beam facilities used for similar purposes. C1 [Sabau, Adrian S.; Ohriner, Evan K.; Kiggans, Jim; Harper, David C.; Snead, Lance L.; Schaich, Charles R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Sabau, AS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM sabaua@ornl.gov RI Sabau, Adrian/B-9571-2008; kiggans, james/E-1588-2017 OI Sabau, Adrian/0000-0003-3088-6474; kiggans, james/0000-0001-5056-665X FU Office of Fusion Energy Sciences, US Department of Energy [DE-C05-00OR22725]; UT-Battelle, LLC FX This work was supported by Office of Fusion Energy Sciences, US Department of Energy under contract DE-C05-00OR22725 with UT-Battelle, LLC. The authors would like to thank Alta Marie Williams for radiation safety considerations, Frederick W (Bill) Wiffen of ORNL for numerous discussions concerning this effort, and Dr Arnold Lumsdaine of ORNL for reviewing the paper. NR 17 TC 1 Z9 1 U1 2 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD APR PY 2014 VL T159 AR 014007 DI 10.1088/0031-8949/2014/T159/014007 PG 4 WC Physics, Multidisciplinary SC Physics GA AF6TP UT WOS:000334847800008 ER PT J AU Taylor, CN Shimada, M Merrill, BJ Drigert, MW Akers, DW Hatano, Y AF Taylor, C. N. Shimada, M. Merrill, B. J. Drigert, M. W. Akers, D. W. Hatano, Y. TI Development of positron annihilation spectroscopy for characterizing neutron irradiated tungsten SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 14th International Conference on Plasma-Facing Materials and Components(PFMC) CY MAY, 2013 CL undefined, GERMANY DE neutron; defects; tungsten; Doppler broadening positron annihilation spectroscopy; plasma-facing components ID ABSORPTION-COEFFICIENTS; RADIOACTIVE SOURCES; SPECTRA; SOLIDS AB Tungsten samples (6 mm diameter and 0.2 mm thick) were irradiated to 0.025 and 0.3 dpa with neutrons in the High Flux Isotope Reactor at Oak Ridge National Laboratory as part of the US/Japan Tritium, Irradiation and Thermofluids for America and Nippon (TITAN) collaboration. Samples were then exposed to deuterium plasma in Idaho National Laboratory's Tritium Plasma Experiment at 100, 200 and 500 degrees C to a total fluence of 1 x 10(26) m(-2). Nuclear reaction analysis (NRA) and Doppler broadening positron annihilation spectroscopy (DB-PAS) were performed at various stages to characterize radiation damage and retention. We present the first results of neutron irradiated tungsten characterized by DB-PAS in order to study defect concentration. Two positron sources, Na-22 and Ge-68, probe similar to 58 mu m and through the entire 200 mu m thick samples, respectively. DB-PAS results reveal clear differences between the various irradiated samples. These results, and a correlation between DB-PAS and NRA data, are presented. C1 [Taylor, C. N.; Shimada, M.; Merrill, B. J.] Idaho Natl Lab, Fus Safety Program, Idaho Falls, ID 83415 USA. [Drigert, M. W.; Akers, D. W.] Idaho Natl Lab, Expt Programs, Idaho Falls, ID 83415 USA. [Hatano, Y.] Toyama Univ, Hydrogen Isotope Res Ctr, Toyama 9308555, Japan. RP Taylor, CN (reprint author), Idaho Natl Lab, Fus Safety Program, Idaho Falls, ID 83415 USA. EM chase.taylor@inl.gov OI Shimada, Masashi/0000-0002-1592-843X FU US Department of Energy, Office of Fusion Energy Sciences, under the DOE Idaho Field Office [DE-AC07-05ID14517] FX This work was prepared for the US Department of Energy, Office of Fusion Energy Sciences, under the DOE Idaho Field Office contract number DE-AC07-05ID14517. Samples for this work came from the collaborative Japan/USA TITAN project. NR 22 TC 3 Z9 3 U1 3 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD APR PY 2014 VL T159 AR 014055 DI 10.1088/0031-8949/2014/T159/014055 PG 5 WC Physics, Multidisciplinary SC Physics GA AF6TP UT WOS:000334847800056 ER PT J AU Wampler, WR Pitts, RA Carpentier-Chouchana, S Stangeby, PC Ding, F Mao, HM Wang, WZ Qian, JP Gong, X Luo, GN AF Wampler, W. R. Pitts, R. A. Carpentier-Chouchana, S. Stangeby, P. C. Ding, F. Mao, H. M. Wang, W. Z. Qian, J. P. Gong, X. Luo, G-N TI Experimental Advanced Superconducting Tokamak/material and plasma evaluation system material migration experiment SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 14th International Conference on Plasma-Facing Materials and Components(PFMC) CY MAY, 2013 CL undefined, GERMANY DE material erosion; tokamak; fusion plasma; carbon ID NET EROSION; DIII-D; MOLYBDENUM; DIVERTOR AB A test assembly of carbon coated molybdenum tiles was exposed to a sequence of well-diagnosed ohmic helium discharges in the Experimental Advanced Superconducting Tokamak (EAST) using the material and plasma evaluation system. The test assembly was configured to approximate, on a reduced scale, the profile of a first-wall panel in ITER. Net erosion and deposition of carbon was determined from measurements of the thickness of a carbon surface layer by ion-beam analysis before and after the plasma exposure. The highest erosion of 800 nm, or about one third of the initial thickness, occurred near the EAST midplane on the side facing the ion-drift direction. Erosion decreased in toroidal and poloidal directions with increasing distance from the plasma. Net deposition was not observed anywhere above the limit of detection. This experiment provides data needed to benchmark codes being used to predict erosion/deposition in ITER. C1 [Wampler, W. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Pitts, R. A.] ITER Org, F-13115 St Paul Les Durance, France. [Carpentier-Chouchana, S.] LT Calcoli SOGETI Consortium, F-13857 Aix En Provence, France. [Stangeby, P. C.] Univ Toronto, Inst Aerosp Studies, N York, ON M3H 5T6, Canada. [Ding, F.; Mao, H. M.; Wang, W. Z.; Qian, J. P.; Gong, X.; Luo, G-N] Chinese Acad Sci, Inst Plasma Phys, Hefei 230088, Anhui, Peoples R China. RP Wampler, WR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wrwampl@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work is a collaboration between Sandia National Laboratories, the Institute for Plasma Physics of the Chinese Academy of Sciences (ASIPP) in Hefei China and the ITER Organization. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. NR 10 TC 2 Z9 2 U1 1 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 EI 1402-4896 J9 PHYS SCRIPTA JI Phys. Scr. PD APR PY 2014 VL T159 AR 014069 DI 10.1088/0031-8949/2014/T159/014069 PG 5 WC Physics, Multidisciplinary SC Physics GA AF6TP UT WOS:000334847800070 ER PT J AU Salgado, CW Weygand, DP AF Salgado, Carlos W. Weygand, Dennis P. TI On the partial-wave analysis of mesonic resonances decaying to multiparticle final states produced by polarized photons SO PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS LA English DT Review ID ISOBAR MODEL; HIGH-ENERGY; PI STATE; PHOTOPRODUCTION; SYSTEMS; SPIN; ETA; FORMULATION; QUANTITIES; SCATTERING AB Meson spectroscopy is going through a revival with the advent of high statistics experiments and new advances in the theoretical predictions. The Constituent Quark Model (CQM) is finally being expanded considering more basic principles of field theory and using discrete calculations of Quantum Chromodynamics (lattice QCD). These new calculations are approaching predictive power for the spectrum of hadronic resonances and decay modes. It will be the task of the new experiments to extract the meson spectrum from the data and compare with those predictions. The goal of this report is to describe one particular technique for extracting resonance information from multiparticle final states. The technique described here, partial wave analysis based on the helicity formalism, has been used at Brookhaven National Laboratory (BNL) using pion beams, and Jefferson Laboratory (JLal)) using photon beams. In particular this report broadens this technique to include production experiments using linearly polarized real photons or quasi-real photons. This article is of a didactical nature. We describe the process of analysis, detailing assumptions and formalisms, and is directed towards people interested in starting partial wave analysis. (C) 2013 Elsevier B.V. All rights reserved. C1 [Salgado, Carlos W.] Norfolk State Univ, Norfolk, VA 23504 USA. [Salgado, Carlos W.; Weygand, Dennis P.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. RP Salgado, CW (reprint author), Norfolk State Univ, Norfolk, VA 23504 USA. EM salgado@jlab.org FU National Science Foundation [0855338, 1205763]; United States Department of Energy [DE-AC05-84ER40150] FX C.W. Salgado was partially supported by National Science Foundation grants # 0855338 and # 1205763. D.P. Weygand is supported by the United States Department of Energy under contract DE-AC05-84ER40150. We wish to thank Veronique Ziegler for reading of the manuscript and useful comments. NR 92 TC 5 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-1573 EI 1873-6270 J9 PHYS REP JI Phys. Rep.-Rev. Sec. Phys. Lett. PD APR 1 PY 2014 VL 537 IS 1 BP 1 EP 58 DI 10.1016/j.physrep.2013.11.005 PG 58 WC Physics, Multidisciplinary SC Physics GA AG2WY UT WOS:000335279000001 ER PT J AU Lewicki, JP Beavis, PW Robinson, MWC Maxwell, RS AF Lewicki, James P. Beavis, Peter W. Robinson, Mathew W. C. Maxwell, Robert S. TI A dielectric relaxometry study of segmental dynamics in PDMS/boron composite and hybrid elastomers SO POLYMER LA English DT Article DE Poly(dimethylsiloxane); meta-Carborane; Dielectric relaxometry ID BIOMEDICAL APPLICATIONS; SILICONE-RUBBER; NANOCOMPOSITES; REINFORCEMENT; FILLERS AB In this work, the motional dynamics and relaxation behavior of a series of model poly(dimethylsiloxane)co-meta-carborane (PDMS-co-CB) hybrid elastomers have been studied in depth, using Broadband Dielectric Spectrometry over a temperature range of -130 to 100 degrees C and a frequency window of 10(-1) to 10(7) Hz. The segmental alpha-relaxation of both the PDMS and carborane chain segments has been characterized at specific carborane backbone incorporation levels. A direct correlation between the ratio of PDMS to carborane segments and the motional constraint of the network as a whole was observed. In addition to the study of the alpha-motional modes associated with local intra-segmental motions and the onset of cooperative motion, we have also identified and studied a higher order cooperative (normal-mode) motion of extended segments of the carborane-siloxane co-polymer chains at elevated temperatures. These normal mode motions have been shown to follow an Arrhenius temperature dependence, are sensitive to the local chemical environment and have not been previously reported in this class of polysiloxane copolymer. The motional dynamics of the PDMS-co-CB networks have been compared and contrasted with those of a series of conventionally filled PDMS-Boron Nitride (PDMS-BN) composite systems. While the effects of the chemically bound carborane segment on the PDMS chain dynamics, local order and global network properties have been shown to be directly correlated, significant and predictable, the effects of the BN filler on the PDMS matrix are significantly less so and the results suggest that the filler material may in fact be disrupting the network order, with a consequently negative impact on the properties of the composite. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Lewicki, James P.; Maxwell, Robert S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Beavis, Peter W.; Robinson, Mathew W. C.] Atom Weap Estab, Reading RG7 4PR, Berks, England. RP Lewicki, JP (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM lewicki1@llnl.gov RI Beavis, Peter/I-5154-2013 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Portions of this work were performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. British Crown Owned Copyright 2013/AWE Published with the permission of the Controller of Her Britannic Majesty's Stationery Office. NR 31 TC 2 Z9 2 U1 5 U2 58 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0032-3861 EI 1873-2291 J9 POLYMER JI Polymer PD APR 1 PY 2014 VL 55 IS 7 BP 1763 EP 1768 DI 10.1016/j.polymer.2014.02.038 PG 6 WC Polymer Science SC Polymer Science GA AF8SB UT WOS:000334984800019 ER PT J AU Nisanian, M Holladay, SD Karpuzoglu, E Kerr, RP Williams, SM Stabler, L McArthur, JV Tuckfield, RC Gogal, RM AF Nisanian, M. Holladay, S. D. Karpuzoglu, E. Kerr, R. P. Williams, S. M. Stabler, L. McArthur, J. Vaun Tuckfield, R. Cary Gogal, R. M., Jr. TI Exposure of juvenile Leghorn chickens to lead acetate enhances antibiotic resistance in enteric bacterial flora SO POULTRY SCIENCE LA English DT Article DE lead acetate; Leghorn chicken; antimicrobial resistance ID STAPHYLOCOCCUS-AUREUS; METAL RESISTANCE; ANIMALS; CONTAMINATION; COSELECTION; CADMIUM; BLOOD; WATER AB Heavy metals have been implicated for their ability to increase antibiotic resistance in bacteria collected from polluted waters, independent of antibiotic exposure. Specific- pathogen-free Leghorn chickens were therefore given Pb acetate in the drinking water to expose the enteric bacteria to Pb and to determine if antibiotic resistance changed in these bacteria. Concentrations of Pb used were 0.0, 0.01, 0.1, 1.0, or 10.0 mM; birds given the highest 2 concentrations showed signs of moribundity and dehydration and were removed from the study. Vent culture samples were collected for bacterial cultures on d 0 before Pb exposure, d 7 and 14, and then birds were euthanized by CO2 gas for necropsy on d 14, at which time intestinal contents were also collected for bacterial cultures. Fecal swabs but not intestinal samples from Pb- exposed birds contained isolates that had significantly elevated antibiotic resistance. Some of the isolates contained bacteria that were resistant to up to 20 antibiotics. These results suggest the need for repeated studies in chickens infected with zoonotic pathogens. C1 [Nisanian, M.; Holladay, S. D.; Karpuzoglu, E.; Kerr, R. P.; Gogal, R. M., Jr.] Univ Georgia, Coll Vet Med, Dept Vet Biosci & Diagnost Imaging, Athens, GA 30602 USA. [Williams, S. M.; Stabler, L.] Univ Georgia, Coll Vet Med, Poultry Diagnost & Res Ctr, Athens, GA 30602 USA. [McArthur, J. Vaun] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Tuckfield, R. Cary] ECOSTATys LLC, Aiken, SC 29803 USA. RP Gogal, RM (reprint author), Univ Georgia, Coll Vet Med, Dept Vet Biosci & Diagnost Imaging, Athens, GA 30602 USA. EM rgogal@uga.edu FU Department of Energy [DE-FC09-07SR22506]; United States Government FX This research was partially supported by the Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. We thank Paul Stankus for laboratory assistance.; 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 3 Z9 3 U1 1 U2 10 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0032-5791 EI 1525-3171 J9 POULTRY SCI JI Poult. Sci. PD APR PY 2014 VL 93 IS 4 BP 891 EP 897 DI 10.3382/ps.2013-03600 PG 7 WC Agriculture, Dairy & Animal Science SC Agriculture GA AE9SL UT WOS:000334349500014 PM 24706966 ER PT J AU Crane, CA Pantoya, ML Weeks, BL Saed, M AF Crane, C. A. Pantoya, M. L. Weeks, B. L. Saed, M. TI The effects of particle size on microwave heating of metal and metal oxide powders SO POWDER TECHNOLOGY LA English DT Article DE Microwave heating; Powder compacts; Iron oxide powder; Aluminum powder; Nanoparticles ID IGNITION AB To understand the effect of particle size on microwave absorption, it is important to separate absorption in good bulk conductors (like aluminum or copper) from dielectrics, like iron oxide (Fe2O3). This study experimentally examined coupling microwaves to powder compacts of discretely different materials such as aluminum and iron oxide as a function of particle size. An electromagnetic chamber exposed compacted powder samples of each material to microwaves at a frequency of 3.3 GHz and in-situ 2-D spatial temperature measurements of the sample surface were captured to quantify microwave heating. Results show that for the non-conductive oxidizer (Fe2O3), decreasing the particle size increased the microwave absorption because of the increase in effective surface area and effective conductivity. In contrast, decreasing the conductive metal (Al) particle size resulted in decreased microwave absorption because the ratio of particle size to the skin depth was shown to be a critical parameter controlling energy absorption. This research contributes to new understandings of how microwave energy interacts with metal and metal oxide compacted pellets as a function of particle size. (C) 2014 Elsevier B.V. All rights reserved. C1 [Crane, C. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Crane, C. A.; Pantoya, M. L.] Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. [Weeks, B. L.] Texas Tech Univ, Dept Chem Engn, Lubbock, TX 79409 USA. [Saed, M.] Texas Tech Univ, Dept Elect & Comp Engn, Lubbock, TX 79409 USA. RP Pantoya, ML (reprint author), Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. EM michelle.pantoya@ttu.edu RI Weeks, Brandon/P-6331-2014 OI Weeks, Brandon/0000-0003-2552-4129 FU Office of Naval Research [N000141110424] FX The authors are grateful for the support and encouragement from the Office of Naval Research under contract award No. N000141110424. NR 17 TC 7 Z9 7 U1 2 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0032-5910 EI 1873-328X J9 POWDER TECHNOL JI Powder Technol. PD APR PY 2014 VL 256 BP 113 EP 117 DI 10.1016/j.powtec.2014.02.008 PG 5 WC Engineering, Chemical SC Engineering GA AG0HW UT WOS:000335097600014 ER PT J AU Pal, S Sadhukhan, J AF Pal, Santanu Sadhukhan, Jhilam TI Fission dynamics of hot nuclei SO PRAMANA-JOURNAL OF PHYSICS LA English DT Article; Proceedings Paper CT National Conference on Nuclear Physics (NCNP) CY MAR 01-03, 2013 CL Bhubaneswar, INDIA DE Fission; dissipation; Langevin equations; Kramers' fission width; pre-scission neutron multiplicity ID ONE-BODY DISSIPATION; MODEL; DISTRIBUTIONS; COLLISIONS; NEUTRONS; EMISSION; FRICTION; URANIUM; FUSION; MOTION AB Experimental evidence accumulated during the last two decades indicates that the fission of excited heavy nuclei involves a dissipative dynamical process. We shall briefly review the relevant dynamical model, namely the Langevin equations for fission. Statistical model predictions using the Kramers' fission width will also be discussed. C1 [Sadhukhan, Jhilam] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Sadhukhan, Jhilam] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Pal, Santanu; Sadhukhan, Jhilam] Ctr Variable Energy Cyclotron, Kolkata 700064, India. RP Pal, S (reprint author), CS 6-1, Kolkata 700095, India. EM santanupal1950@gmail.com NR 39 TC 1 Z9 1 U1 0 U2 0 PU INDIAN ACAD SCIENCES PI BANGALORE PA C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA SN 0304-4289 EI 0973-7111 J9 PRAMANA-J PHYS JI Pramana-J. Phys. PD APR PY 2014 VL 82 IS 4 SI SI BP 671 EP 682 DI 10.1007/s12043-014-0719-4 PG 12 WC Physics, Multidisciplinary SC Physics GA AG4BR UT WOS:000335364500007 ER PT J AU Petch, J Hill, A Davies, L Fridlind, A Jakob, C Lin, YL Xie, SEC Zhu, P AF Petch, Jon Hill, Adrian Davies, Laura Fridlind, Ann Jakob, Christian Lin, Yanluan Xie, Shaoecheng Zhu, Ping TI Evaluation of intercomparisons of four different types of model simulating TWP-ICE SO QUARTERLY JOURNAL OF THE ROYAL METEOROLOGICAL SOCIETY LA English DT Article DE convection; numerical modelling; microphysics ID WEATHER PREDICTION; CLOUD; RAIN AB Four model intercomparisons were run and evaluated using the TWP-ICE field campaign, each involving different types of atmospheric model. Here we highlight what can be learnt from having single-column model (SCM), cloud-resolving model (CRM), global atmosphere model (GAM) and limited-area model (LAM) intercomparisons all based around the same field campaign. We also make recommendations for anyone planning further large multi-model intercomparisons to ensure they are of maximum value to the model development community. CRMs tended to match observations better than other model types, although there were exceptions such as outgoing long-wave radiation. All SCMs grew large temperature and moisture biases and performed worse than other model types for many diagnostics. The GAMs produced a delayed and significantly reduced peak in domain-average rain rate when compared to the observations. While it was shown that this was in part due to the analysis used to drive these models, the LAMs were also driven by this analysis and did not have the problem to the same extent. Based on differences between the models with parametrized convection (SCMs and GAMs) and those without (CRMs and LAMs), we speculate that that having explicit convection helps to constrain liquid water whereas the ice contents are controlled more by the representation of the microphysics. C1 [Petch, Jon; Hill, Adrian] Met Off, Exeter EX1 3PB, Devon, England. [Davies, Laura] Univ Melbourne, Melbourne, Vic 3010, Australia. [Fridlind, Ann] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Jakob, Christian] Monash Univ, Sch Math, Melbourne, Vic 3004, Australia. [Lin, Yanluan] Tsinghua Univ, Ctr Earth Syst Sci, Beijing 100084, Peoples R China. [Xie, Shaoecheng] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Zhu, Ping] Florida Int Univ, Dept Earth & Environm, Miami, FL 33199 USA. RP Petch, J (reprint author), Met Off, FitzRoy Rd, Exeter EX1 3PB, Devon, England. EM jon.petch@metoffice.gov.uk RI lin, yanluan/A-6333-2015; Xie, Shaocheng/D-2207-2013; Jakob, Christian/A-1082-2010 OI Xie, Shaocheng/0000-0001-8931-5145; Jakob, Christian/0000-0002-5012-3207 FU NASA Radiation Sciences Program; US DOE Office of Science, Office of Biological and Environmental Research [DE-AI02-06ER64173, DE-SC0006712]; US Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Atmospheric Radiation Measurement Program of the Office of Science at the US Department of Energy; DOE ASR [DE-FG02-09ER64737]; Office of Science (BER), US Department of Energy; US DOE ASR program [DE-FG02-09ER64742] FX A. Fridlind was supported by the NASA Radiation Sciences Program and the US DOE Office of Science, Office of Biological and Environmental Research, through contracts DE-AI02-06ER64173 and DE-SC0006712. The contributions of S. Xie to this work were performed under the auspices of the US Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research by Lawrence Livermore National Laboratory under contract no. DE-AC52-07NA27344 and supported by the Atmospheric Radiation Measurement Program of the Office of Science at the US Department of Energy. Ping Zhu wishes to acknowledge his support by the DOE ASR program under grant DE-FG02-09ER64737. Yanluan Lin was supported by the Office of Science (BER), US Department of Energy. Laura Davies and Christian Jakob were supported by the US DOE ASR program under grant DE-FG02-09ER64742. NR 19 TC 6 Z9 6 U1 0 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0035-9009 EI 1477-870X J9 Q J ROY METEOR SOC JI Q. J. R. Meteorol. Soc. PD APR PY 2014 VL 140 IS 680 BP 826 EP 837 DI 10.1002/qj.2192 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AF7WU UT WOS:000334926800009 ER PT J AU Ullrich, PA Norman, MR AF Ullrich, Paul A. Norman, Matthew R. TI The Flux-Form Semi-Lagrangian Spectral Element (FF-SLSE) method for tracer transport SO QUARTERLY JOURNAL OF THE ROYAL METEOROLOGICAL SOCIETY LA English DT Article DE semi-Lagrangian; tracer transport; finite element method; high-order; spectral element method ID SHALLOW-WATER EQUATIONS; NAVIER-STOKES EQUATIONS; EFFICIENT SCHEME; ATMOSPHERE MODEL; DYNAMICAL CORE; ADVECTION; ALGORITHMS; GRIDS; FLOW; CONSERVATION AB The spectral element dynamical core has been demonstrated to be an accurate and scalable approach for solving the equations of motion in the atmosphere. However, it is also known that use of the spectral element method for tracer transport is costly and requires substantial parallel communication over a single time step. Consequently, recent efforts have turned to finding alternative transport schemes which maintain the scalability of the spectral element method without its significant cost. This article proposes a conservative semi-Lagrangian approach for tracer transport which uses upstream trajectories to solve the transport equation on the native spectral element grid. This formulation, entitled the Flux-Form Semi-Lagrangian Spectral Element (FF-SLSE) method, is highly accurate compared to many competing schemes, allows for large time steps, and requires fewer parallel communications over the same time interval than the spectral element method. In addition, the approach guarantees local conservation and is easily paired with a filter which can be used to ensure positivity. This article presents the dispersion relation for the 1D FF-SLSE approach and demonstrates stability up to a Courant number of 2.44 with cubic basis. Several standard numerical tests are presented for the method in 2D to verify correctness, accuracy and robustness of the method, including a new test of a divergent flow in Carteisan geometry. C1 [Ullrich, Paul A.] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. [Norman, Matthew R.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Ullrich, PA (reprint author), Univ Calif Davis, Dept Land Air & Water Resources, One Shields Ave, Davis, CA 95616 USA. EM paullrich@ucdavis.edu RI Ullrich, Paul/E-9350-2015 OI Ullrich, Paul/0000-0003-4118-4590 NR 46 TC 5 Z9 5 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0035-9009 EI 1477-870X J9 Q J ROY METEOR SOC JI Q. J. R. Meteorol. Soc. PD APR PY 2014 VL 140 IS 680 BP 1069 EP 1085 DI 10.1002/qj.2184 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AF7WU UT WOS:000334926800029 ER PT J AU Stenfeldt, C Pacheco, JM Rodriguez, LL Arzt, J AF Stenfeldt, C. Pacheco, J. M. Rodriguez, L. L. Arzt, J. TI Infection dynamics of foot-and-mouth disease virus in pigs using two novel simulated-natural inoculation methods SO RESEARCH IN VETERINARY SCIENCE LA English DT Article DE FMDV; Virus; Pathogenesis; Animal models ID BETWEEN-PEN TRANSMISSION; VACCINATED PIGS; EARLY PATHOGENESIS; SWINE; ANTIBODY; CATTLE; IDENTIFICATION; AEROSOLS; CONTACT; SITES AB In order to characterize foot-and-mouth disease virus (FMDV) infection dynamics in pigs, two simulatednatural inoculation systems were developed and evaluated. Intra-oropharyngeal (lOP) and intra-nasopharyngeal (INP) inoculation both enabled precise control of dose and timing of inoculation while simulating field exposure conditions. There were substantial differences between outcomes of infections by the two routes. IOP inoculation resulted in consistent and synchronous infection, whereas INP inoculation at similar doses resulted in delayed, or completely absent infection. All pigs that developed clinical infection had detectable levels of FMDV RNA in their oropharynx directly following inoculation. Furthermore, FMDV antigens were localized to the oropharyngeal tonsils suggesting a role in early infection. The utility of LOP inoculation was further demonstrated in a vaccine-challenge experiment. Thus, the novel system of lOP inoculation described herein, offers a valid alternative to traditionally used systems for FMDV inoculation of pigs, applicable for experimental studies of FMDV pathogenesis and vaccinology. Published by Elsevier Ltd. C1 [Stenfeldt, C.; Pacheco, J. M.; Rodriguez, L. L.; Arzt, J.] Agr Res Serv, Plum Isl Anim Dis Ctr, Foreign Anim Dis Res Unit, USDA, Greenport, NY 11944 USA. [Stenfeldt, C.] Oak Ridge Inst Sci & Educ, PIADC Res Participat Program, Oak Ridge, TN 37831 USA. RP Arzt, J (reprint author), USDA ARS, Foreign Anim Dis Res Unit, Plum Isl Anim Dis Ctr, POB 848, Greenport, NY 11944 USA. EM Jonathan.Arzt@ars.usda.gov OI Stenfeldt, Carolina/0000-0002-2074-3886; Pacheco, Juan/0000-0001-5477-0201; Arzt, Jonathan/0000-0002-7517-7893 FU Science and Technology Directorate of the U.S. Department of Homeland Security [HSHQDC-11X-00189] FX This project was funded through an interagency agreement with the Science and Technology Directorate of the U.S. Department of Homeland Security under Award Number HSHQDC-11X-00189. CS is a recipient of a Plum Island Animal Disease Center Research Participation Program fellowship, administered by the Oak Ridge Institute for Science and Education (ORISE) through an interagency agreement with the US Department of Energy. None of the funding sources had influence upon design or performance of experimental study, interpretation of results or writing of the manuscript. We would like to thank the Animal Research Branch at PIADC for assistance and support during animal studies. Meghan Tucker, Elizabeth Bishop, George Smoliga, and Ethan Hartwig are thanked for support with necropsies and processing of samples. NR 37 TC 8 Z9 8 U1 0 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0034-5288 EI 1532-2661 J9 RES VET SCI JI Res. Vet. Sci. PD APR PY 2014 VL 96 IS 2 BP 396 EP 405 DI 10.1016/j.rvsc.2014.01.009 PG 10 WC Veterinary Sciences SC Veterinary Sciences GA AF8UD UT WOS:000334990200027 PM 24548596 ER PT J AU Nelson, T Fernandez-Alberti, S Roitberg, AE Tretiak, S AF Nelson, Tammie Fernandez-Alberti, Sebastian Roitberg, Adrian E. Tretiak, Sergei TI Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID UNIDIRECTIONAL ENERGY-TRANSFER; ELECTRONIC COHERENCE; CHEMICAL-DYNAMICS; CARBON NANOTUBES; SIMULATIONS; POLYMERS; ELECTROLUMINESCENCE; LOCALIZATION; TRANSITIONS; EXCITATIONS AB CONSPECTUS: To design functional photoactive materials for a variety of technological applications, researchers need to understand their electronic properties in detail and have ways to control their photoinduced pathways. When excited by photons of light, organic conjugated materials (OCMs) show dynamics that are often characterized by large nonadiabatic (NA) couplings between multiple excited states through a breakdown of the Born-Oppenheimer (BO) approximation. Following photoexcitation, various nonradiative intraband relaxation pathways can lead to a number of complex processes. Therefore, computational simulation of nonadiabatic molecular dynamics is an indispensable tool for understanding complex photoinduced processes such as internal conversion, energy transfer, charge separation, and spatial localization of excitons. Over the years, we have developed a nonadiabatic excited-state molecular dynamics (NA-ESMD) framework that efficiently and accurately describes photoinduced phenomena in extended conjugated molecular systems. We use the fewest-switches surface hopping (FSSH) algorithm to treat quantum transitions among multiple adiabatic excited state potential energy surfaces (PESs). Extended molecular systems often contain hundreds of atoms and involve large densities of excited states that participate in the photoinduced dynamics. We can achieve an accurate description of the multiple excited states using the configuration interaction single (CIS) formalism with a semiempirical model Hamiltonian. Analytical techniques allow the trajectory to be propagated "on the fly" using the complete set of NA coupling terms and remove computational bottlenecks in the evaluation of excited-state gradients and NA couplings. Furthermore, the use of state-specific gradients for propagation of nuclei on the native excited-state PES eliminates the need for simplifications such as the classical path approximation (CPA), which only uses ground-state gradients. Thus, the NA-ESMD methodology offers a computationally tractable route for simulating hundreds of atoms on similar to 10 ps time scales where multiple coupled excited states are involved. In this Account, we review recent developments in the NA-ESMD modeling of photoinduced dynamics in extended conjugated molecules involving multiple coupled electronic states. We have successfully applied the outlined NA-ESMD framework to study ultrafast conformational planarization in polyfluorenes where the rate of torsional relaxation can be controlled based on the initial excitation. With the addition of the state reassignment algorithm to identify instances of unavoided crossings between noninteracting PESs, NA-ESMD can now be used to study systems in which these so-called trivial unavoided crossings are expected to predominate. We employ this technique to analyze the energy transfer between poly(phenylene vinylene) (PPV) segments where conformational fluctuations give rise to numerous instances of unavoided crossings leading to multiple pathways and complex energy transfer dynamics that cannot be described using a simple Forster model. In addition, we have investigated the mechanism of ultrafast unidirectional energy transfer in dendrimers composed of poly(phenylene ethynylene) (PPE) chromophores and have demonstrated that differential nuclear motion favors downhill energy transfer in dendrimers. The use of native excited-state gradients allows us to observe this feature. C1 [Nelson, Tammie; Tretiak, Sergei] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Fernandez-Alberti, Sebastian] Univ Nacl Quilmes, Bernal, Argentina. [Roitberg, Adrian E.] Univ Florida, Dept Chem, Quantum Theory Project, Gainesville, FL 32611 USA. RP Nelson, T (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Tretiak, Sergei/B-5556-2009; Roitberg, Adrian/A-2378-2009 OI Tretiak, Sergei/0000-0001-5547-3647; FU CONICET; UNQ; ANPCyT [PICT-2010-2375]; National Science Foundation Grant [CHE-0239129, CHE-0808910]; U.S. Department of Energy; Los Alamos LDRD funds; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC5206NA25396]; Center for Integrated Nanotechnologies (CENT); Center for Nonlinear Studies (CNLS) at LANL FX This work was supported by CONICET, UNQ, ANPCyT (Grant PICT-2010-2375), National Science Foundation Grant Nos. CHE-0239129 and CHE-0808910, and U.S. Department of Energy and Los Alamos LDRD funds. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract DE-AC5206NA25396. We acknowledge support from the Center for Integrated Nanotechnologies (CENT) and the Center for Nonlinear Studies (CNLS) at LANL. NR 68 TC 56 Z9 57 U1 10 U2 126 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 APR PY 2014 VL 47 IS 4 BP 1155 EP 1164 DI 10.1021/ar400263p PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA AF4CE UT WOS:000334658200018 PM 24673100 ER PT J AU van Zoelen, W Buss, HG Ellebracht, NC Lynd, NA Fischer, DA Finlay, J Hill, S Callow, ME Callow, JA Kramer, EJ Zuckermann, RN Segalman, RA AF van Zoelen, Wendy Buss, Hilda G. Ellebracht, Nathan C. Lynd, Nathaniel A. Fischer, Daniel A. Finlay, John Hill, Sophie Callow, Maureen E. Callow, James A. Kramer, Edward J. Zuckermann, Ronald N. Segalman, Rachel A. TI Sequence of Hydrophobic and Hydrophilic Residues in Amphiphilic Polymer Coatings Affects Surface Structure and Marine Antifouling/Fouling Release Properties SO ACS MACRO LETTERS LA English DT Article ID FOULING-RELEASE; SIDE-CHAINS; ALGA ULVA; BLOCK-COPOLYMERS; FLUORINE-FREE; SETTLEMENT; ZOOSPORES; BEHAVIOR; PDMS AB Amphiphilic polymers, specifically combinations of hydrophilic and hydrophobic residues, have been shown to be effective as antifouling materials against the algae Ulva linza and Navicula diatoms. Here we use the inherent sequence specificity of polypeptoids made by solid-phase synthesis to show that the sequence of hydrophilic (methoxy) and hydrophobic (fluorinated) moieties affects both antifouling and fouling release of U. linza. The platform used to test these sequences was a polystyrene-b-poly(ethylene oxide-co-allyl glycidyl ether) (PS-b-P(EO-co-AGE)) scaffold, where the polypeptoids are attached to the scaffold using thiol-ene click chemistry. The fluorinated moiety is very surface active and directs the surface composition of the polymer thin film. The position and number of fluorinated groups in the polypeptoid are shown to affect both the surface composition and antifouling properties of the film. Specifically, the position of the fluorinated units in the peptoid chain changes the surface chemistry and the antifouling behavior, while the number of fluorinated residues affects the fouling-release properties. C1 [van Zoelen, Wendy; Buss, Hilda G.; Ellebracht, Nathan C.; Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Lynd, Nathaniel A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Zuckermann, Ronald N.; Segalman, Rachel A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Fischer, Daniel A.] NIST, Mat Sci & Engn Lab, Gaithersburg, MD 20899 USA. [Finlay, John; Hill, Sophie; Callow, Maureen E.; Callow, James A.] Univ Birmingham, Sch Biosci, Birmingham B15 2TT, W Midlands, England. [Kramer, Edward J.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Kramer, Edward J.] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. RP Segalman, RA (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM segalman@berkeley.edu RI Foundry, Molecular/G-9968-2014; OI Segalman, Rachel/0000-0002-4292-5103 FU Office of Naval Research (ONR) [N00014-08-1-0010, N000141110325]; Netherlands Organization for Scientific Research (NWO); National Science Foundation; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10] FX This work was supported by the Office of Naval Research (ONR) in the form of a Presidential Early Career Award (PECASE) in Science and Engineering for R.A.S. and via awards N00014-08-1-0010 (J.A.C. and M.E.C.) and N000141110325 (E.J.K.). W.v.Z. gratefully acknowledges The Netherlands Organization for Scientific Research (NWO) for a Rubicon fellowship. H.G.B. acknowledges the National Science Foundation for a graduate fellowship. Polypeptoid synthesis and characterization were performed at the Molecular Foundry, a Lawrence Berkeley National Laboratory user Facility supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC02-05CH11231. 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 DE-AC02-98CH10. NR 20 TC 22 Z9 22 U1 11 U2 147 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 APR PY 2014 VL 3 IS 4 BP 364 EP 368 DI 10.1021/mz500090n PG 5 WC Polymer Science SC Polymer Science GA AF4CD UT WOS:000334658100015 ER PT J AU Moon, T Chen, L Choi, S Kim, C Lu, W AF Moon, Taeho Chen, Lin Choi, Shinhyun Kim, Chunjoong Lu, Wei TI Efficient Si Nanowire Array Transfer via Bi-Layer Structure Formation Through Metal-Assisted Chemical Etching SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE Si nanowire; metal-assisted chemical etching; nanowire transfer; thin-film transistor; flexible electronics ID SILICON NANOWIRES; CONTACT; FILMS AB Nanowires (NWs) have shown great potential for applications in flexible and transparent electronics. The main challenges lie in improving the transfer yield and reducing the cost of NW fabrication. Here, it is shown that a bilayer SiNW structure can spontaneously form during metal-assisted chemical etching (MaCE). The bilayer structure formation is in turn accompanied by horizontal weak point formation that facilitates efficient nanowire transfer to diverse substrates. A mass-transport model is developed to explain the bilayer structure and horizontal crack formation effects. Significantly, these results allow repeated SiNW etch/transfer from the same Si wafer, thus potentially greatly reducing the fabrication cost of NW-based electronics. SiNW array-based transistors fabricated from two sequential etch/transfer processes using a single wafer are successfully demonstrated on Si and plastic substrates. C1 [Moon, Taeho; Chen, Lin; Choi, Shinhyun; Lu, Wei] Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. [Kim, Chunjoong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Moon, T (reprint author), Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. EM wluee@eecs.umich.edu RI Lu, Wei/E-8388-2011 OI Lu, Wei/0000-0003-4731-1976 FU National Science Foundation [ECCS-1202126]; Electronics and Telecommunications Research Institute; NSF FX The authors thank Dr. P. Herrera-Fierro, Dr. W. Fung, and Dr. Y. Yang for valuable help and fruitful discussions. This work was supported in part by the National Science Foundation (ECCS-1202126) and the Electronics and Telecommunications Research Institute. This work used the Lurie Nanofabrication Facility at the University of Michigan, a member of the National Nanotechnology Infrastructure Network (NNIN) funded by NSF. NR 25 TC 7 Z9 7 U1 2 U2 45 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD APR PY 2014 VL 24 IS 13 BP 1949 EP 1955 DI 10.1002/adfm.201303180 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 AE0RO UT WOS:000333674100013 ER PT J AU Palacios, E Chen, AQ Foley, J Gray, SK Welp, U Rosenmann, D Vlasko-Vlasov, VK AF Palacios, Edgar Chen, Aiqing Foley, Jonathan Gray, Stephen K. Welp, Ulrich Rosenmann, Daniel Vlasko-Vlasov, Vitalii K. TI Ultra-confined Modes in Metal Nanoparticle Arrays for Subwavelength Light Guiding and Amplification SO ADVANCED OPTICAL MATERIALS LA English DT Article ID ENHANCED RAMAN-SCATTERING; SURFACE-PLASMON RESONANCE; ELECTROMAGNETIC ENERGY-TRANSPORT; GOLD NANOPARTICLES; WAVE-GUIDES; METAMATERIALS; SERS; SPECTROSCOPY; SUBSTRATE; FUTURE AB Propagating optical eigenmodes are found in densely packed monolayers of plasmonic nanoparticles on a metal mirror. FDTD numerical calculations show that these 2D waves carry strongly confined and amplified light energy directly in the layer of nanoparticles or in the gap between the nanoparticles and the mirror. The extreme amplification of light intensity and localization at the nanoscale offer a high potential of these waves for photon emission, light harvesting, and waveguiding applications. C1 [Palacios, Edgar; Chen, Aiqing; Welp, Ulrich; Vlasko-Vlasov, Vitalii K.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Foley, Jonathan; Gray, Stephen K.; Rosenmann, Daniel] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Vlasko-Vlasov, VK (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vlasko-vlasov@anl.gov FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Use of the Center for Nanoscale Materials in this work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 54 TC 7 Z9 7 U1 3 U2 43 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 2195-1071 J9 ADV OPT MATER JI Adv. Opt. Mater. PD APR PY 2014 VL 2 IS 4 BP 394 EP 399 DI 10.1002/adom.201300523 PG 6 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA AF8BU UT WOS:000334940900014 ER PT J AU Ade, PAR Aghanim, N Alves, MIR Arnaud, M Ashdown, M Atrio-Barandela, F Aumont, J Baccigalupi, C Banday, AJ Barreiro, RB Bartlett, JG Battaner, E Benabed, K Benoit-Levy, A Bernard, JP Bersanelli, M Bielewicz, P Bobin, J Bonaldi, A Bond, JR Borrill, J Bouchet, FR Boulanger, F Bucher, M Burigana, C Butler, RC Cardoso, JF Catalano, A Chamballu, A Chiang, HC Chiang, LY Christensen, PR Clements, DL Colombi, S Colombo, LPL Couchot, F Crill, BP Curto, A Cuttaia, F Danese, L Davies, RD Davis, RJ de Bernardis, P de Rosa, A de Zotti, G Delabrouille, J Dickinson, C Diego, JM Dole, H Donzelli, S Dore, O Douspis, M Dupac, X Ensslin, TA Eriksen, HK Falgarone, E Finelli, F Forni, O Frailis, M Franceschi, E Galeotta, S Ganga, K Ghosh, T Giard, M Giardino, G Gonzalez-Nuevo, J Gorski, KM Gregorio, A Gruppuso, A Hansen, FK Harrison, D Hernandez-Monteagudo, C Herranz, D Hildebrandt, SR Hivon, E Holmes, WA Hornstrup, A Hovest, W Jaffe, AH Jones, WC Juvela, M Keihanen, E Keskitalo, R Kisner, TS Kneissl, R Knoche, J Kunz, M Kurki-Suonio, H Lagache, G Lahteenmaki, A Lamarre, JM Lasenby, A Laureijs, RJ Lawrence, CR Leonardi, R Levrier, F Liguori, M Lilje, PB Linden-Vornle, M Lopez-Caniego, M Macias-Perez, JF Maffei, B Maino, D Mandolesi, N Maris, M Marshall, DJ Martin, PG Martinez-Gonzalez, E Masi, S Matarrese, S Mazzotta, P Melchiorri, A Mendes, L Mennella, A Migliaccio, M Mitra, S Miville-Deschenes, MA Moneti, A Montier, L Morgante, G Mortlock, D Munshi, D Murphy, JA Naselsky, P Nati, F Natoli, P Norgaard-Nielsen, HU Noviello, F Novikov, D Novikov, I Oxborrow, CA Pagano, L Pajot, F Paladini, R Paoletti, D Pasian, F Patanchon, G Peel, M Perdereau, O Perrotta, F Piacentini, F Piat, M Pierpaoli, E Pietrobon, D Plaszczynski, S Pointecouteau, E Polenta, G Ponthieu, N Popa, L Pratt, GW Prunet, S Puget, JL Rachen, JP Reach, WT Rebolo, R Reinecke, M Remazeilles, M Renault, C Ricciardi, S Riller, T Ristorcelli, I Rocha, G Rosset, C Rubino-Martin, JA Rusholme, B Sandri, M Savini, G Scott, D Spencer, LD Starck, JL Stolyarov, V Sureau, F Sutton, D Suur-Uski, AS Sygnet, JF Tauber, JA Tavagnacco, D Terenzi, L Toffolatti, L Tomasi, M Tristram, M Tucci, M Valenziano, L Valiviita, J Van Tent, B Verstraete, L Vielva, P Villa, F Vittorio, N Wade, LA Wandelt, BD Yvon, D Zacchei, A Zonca, A AF Ade, P. A. R. Aghanim, N. Alves, M. I. R. Arnaud, M. Ashdown, M. Atrio-Barandela, F. Aumont, J. Baccigalupi, C. Banday, A. J. Barreiro, R. B. Bartlett, J. G. Battaner, E. Benabed, K. Benoit-Levy, A. Bernard, J. -P. Bersanelli, M. Bielewicz, P. Bobin, J. Bonaldi, A. Bond, J. R. Borrill, J. Bouchet, F. R. Boulanger, F. Bucher, M. Burigana, C. Butler, R. C. Cardoso, J. -F. Catalano, A. Chamballu, A. Chiang, H. C. Chiang, L. -Y. Christensen, P. R. Clements, D. L. Colombi, S. Colombo, L. P. L. Couchot, F. Crill, B. P. Curto, A. Cuttaia, F. Danese, L. Davies, R. D. Davis, R. J. de Bernardis, P. de Rosa, A. de Zotti, G. Delabrouille, J. Dickinson, C. Diego, J. M. Dole, H. Donzelli, S. Dore, O. Douspis, M. Dupac, X. Ensslin, T. A. Eriksen, H. K. Falgarone, E. Finelli, F. Forni, O. Frailis, M. Franceschi, E. Galeotta, S. Ganga, K. Ghosh, T. Giard, M. Giardino, G. Gonzalez-Nuevo, J. Gorski, K. M. Gregorio, A. Gruppuso, A. Hansen, F. K. Harrison, D. Hernandez-Monteagudo, C. Herranz, D. Hildebrandt, S. R. Hivon, E. Holmes, W. A. Hornstrup, A. Hovest, W. Jaffe, A. H. Jones, W. C. Juvela, M. Keihanen, E. Keskitalo, R. Kisner, T. S. Kneissl, R. Knoche, J. Kunz, M. Kurki-Suonio, H. Lagache, G. Lahteenmaki, A. Lamarre, J. -M. Lasenby, A. Laureijs, R. J. Lawrence, C. R. Leonardi, R. Levrier, F. Liguori, M. Lilje, P. B. Linden-Vornle, M. Lopez-Caniego, M. Macias-Perez, J. F. Maffei, B. Maino, D. Mandolesi, N. Maris, M. Marshall, D. J. Martin, P. G. Martinez-Gonzalez, E. Masi, S. Matarrese, S. Mazzotta, P. Melchiorri, A. Mendes, L. Mennella, A. Migliaccio, M. Mitra, S. Miville-Deschenes, M. -A. Moneti, A. Montier, L. Morgante, G. Mortlock, D. Munshi, D. Murphy, J. A. Naselsky, P. Nati, F. Natoli, P. Norgaard-Nielsen, H. U. Noviello, F. Novikov, D. Novikov, I. Oxborrow, C. A. Pagano, L. Pajot, F. Paladini, R. Paoletti, D. Pasian, F. Patanchon, G. Peel, M. Perdereau, O. Perrotta, F. Piacentini, F. Piat, M. Pierpaoli, E. Pietrobon, D. Plaszczynski, S. Pointecouteau, E. Polenta, G. Ponthieu, N. Popa, L. Pratt, G. W. Prunet, S. Puget, J. -L. Rachen, J. P. Reach, W. T. Rebolo, R. Reinecke, M. Remazeilles, M. Renault, C. Ricciardi, S. Riller, T. Ristorcelli, I. Rocha, G. Rosset, C. Rubino-Martin, J. A. Rusholme, B. Sandri, M. Savini, G. Scott, D. Spencer, L. D. Starck, J. -L. Stolyarov, V. Sureau, F. Sutton, D. Suur-Uski, A. -S. Sygnet, J. -F. Tauber, J. A. Tavagnacco, D. Terenzi, L. Toffolatti, L. Tomasi, M. Tristram, M. Tucci, M. Valenziano, L. Valiviita, J. Van Tent, B. Verstraete, L. Vielva, P. Villa, F. Vittorio, N. Wade, L. A. Wandelt, B. D. Yvon, D. Zacchei, A. Zonca, A. CA Planck Collaboration TI Planck intermediate results. XIV. Dust emission at millimetre wavelengths in the Galactic plane SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE ISM: general; Galaxy: general; radiation mechanisms: general; radio continuum: ISM; submillimeter: ISM ID PRE-LAUNCH STATUS; SPECTRAL ENERGY-DISTRIBUTIONS; MU-M; MAGNETIC NANOPARTICLES; TEMPERATURE-DEPENDENCE; SUBMILLIMETER EXCESS; MICROWAVE EMISSION; INTERSTELLAR DUST; MAGELLANIC CLOUDS; MOLECULAR CLOUDS AB We use Planck HFI data combined with ancillary radio data to study the emissivity index of the interstellar dust emission in the frequency range 100-353 GHz, or 3-0.8 mm, in the Galactic plane. We analyse the region l = 20 degrees-44 degrees and vertical bar b vertical bar <= 4 degrees where the free-free emission can be estimated from radio recombination line data. We fit the spectra at each sky pixel with a modified blackbody model and two opacity spectral indices, beta(mm) and beta(FIR), below and above 353 GHz, respectively. We find that beta(mm) is smaller than beta(FIR), and we detect a correlation between this low frequency power-law index and the dust optical depth at 353 GHz, tau(353). The opacity spectral index beta(mm) increases from about 1.54 in the more diffuse regions of the Galactic disk, vertical bar b vertical bar = 3 degrees-4 degrees and tau(353) similar to 5 x 10(-5), to about 1.66 in the densest regions with an optical depth of more than one order of magnitude higher. We associate this correlation with an evolution of the dust emissivity related to the fraction of molecular gas along the line of sight. This translates into beta(mm) similar to 1.54 for a medium that is mostly atomic and beta(mm) similar to 1.66 when the medium is dominated by molecular gas. We find that both the two-level system model and magnetic dipole emission by ferromagnetic particles can explain the results. These results improve our understanding of the physics of interstellar dust and lead towards a complete model of the dust spectrum of the Milky Way from far-infrared to millimetre wavelengths. C1 [Bartlett, J. G.; Bucher, M.; Cardoso, J. -F.; Delabrouille, J.; Ganga, K.; Patanchon, G.; Piat, M.; Remazeilles, M.; Rosset, C.] Univ Paris Diderot, CNRS IN2P3, CEA Irfu, Observ Paris,Sorbonne Paris Cite,APC, F-75205 Paris 13, France. [Lahteenmaki, A.] Aalto Univ, Metsahovi Radio Observ, Aalto 00076, Finland. [Lahteenmaki, A.] Aalto Univ, Dept Radio Sci & Engn, Aalto 00076, Finland. [Kunz, M.] African Inst Math Sci, ZA-7701 Rondebosch, South Africa. [Natoli, P.; Polenta, G.] Agenzia Spaziale Italiana Sci Data Ctr, I-00133 Rome, Italy. [Mandolesi, N.] Agenzia Spaziale Italiana, I-00198 Rome, Italy. [Ashdown, M.; Curto, A.; Lasenby, A.; Stolyarov, V.] Univ Cambridge, Cavendish Lab, Astrophys Grp, Cambridge CB3 0HE, England. [Chiang, H. C.] Univ KwaZulu Natal, Sch Math Stat & Comp Sci, Astrophys & Cosmol Res Unit, ZA-4000 Durban, South Africa. [Kneissl, R.] ALMA Santiago Cent Off, Atacama Large Millimeter Submillimeter Array, Santiago 0355, Chile. [Bond, J. R.; Martin, P. G.; Miville-Deschenes, M. -A.] Univ Toronto, CITA, Toronto, ON M5S 3H8, Canada. [Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Forni, O.; Giard, M.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] CNRS, IRAP, F-31028 Toulouse 4, France. [Crill, B. P.; Dore, O.; Hildebrandt, S. R.; Rocha, G.; Savini, G.] CALTECH, Pasadena, CA 91125 USA. [Hernandez-Monteagudo, C.] Ctr Estudios Fis Cosmos Aragon, Teruel 44001, Spain. [Borrill, J.; Keskitalo, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Rebolo, R.] CSIC, Madrid 28037, Spain. [Chamballu, A.; Yvon, D.] CEA Saclay, DSM Irfu SPP, F-91191 Gif Sur Yvette, France. [Hornstrup, A.; Linden-Vornle, M.; Norgaard-Nielsen, H. U.; Oxborrow, C. A.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Kunz, M.; Tucci, M.] Univ Geneva, Dept Phys Theor, CH-1211 Geneva 4, Switzerland. [Atrio-Barandela, F.] Univ Salamanca, Fac Ciencias, Dept Fis Fundamental, E-37008 Salamanca, Spain. [Toffolatti, L.] Univ Oviedo, Dept Fis, E-33007 Oviedo, Spain. [Rachen, J. P.] Radboud Univ Nijmegen, Dept Astrophys, IMAPP, NL-6500 GL Nijmegen, Netherlands. [Keskitalo, R.] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Scott, D.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V5Z 1M9, Canada. [Colombo, L. P. L.; Pierpaoli, E.] Univ So Calif, Dana & David Dornsife Coll Letter Arts & Sci, Dept Phys & Astron, Los Angeles, CA 90089 USA. [Benoit-Levy, A.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Juvela, M.; Keihanen, E.; Kurki-Suonio, H.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Chiang, H. C.; Jones, W. C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Zonca, A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Wandelt, B. D.] Univ Illinois, Dept Phys, Urbana, IL USA. [Liguori, M.; Matarrese, S.] Univ Padua, Dipartimento Fis & Astron G Galilei, I-35131 Padua, Italy. [Burigana, C.; Mandolesi, N.; Natoli, P.] Univ Ferrara, Dipartimento Fis & Sci Terra, I-44122 Ferrara, Italy. [de Bernardis, P.; Masi, S.; Melchiorri, A.; Nati, F.; Pagano, L.; Piacentini, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Bersanelli, M.; Maino, D.; Mennella, A.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Gregorio, A.; Tavagnacco, D.] Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. [Mazzotta, P.; Vittorio, N.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Christensen, P. R.; Naselsky, P.] Niels Bohr Inst, Discovery Ctr, DK-2100 Copenhagen, Denmark. [Rebolo, R.; Rubino-Martin, J. A.] Univ La Laguna, Dpto Astrofis, E-38206 Tenerife, Spain. [Kneissl, R.] ESO Vitacura, European So Observ, Santiago 19001, Chile. [Dupac, X.; Leonardi, R.; Mendes, L.] European Space Agcy, ESAC, Planck Sci Off, Madrid, Spain. [Giardino, G.; Laureijs, R. J.; Tauber, J. A.] Estec, European Space Agcy, NL-2201 AZ Noordwijk, Netherlands. [Kurki-Suonio, H.; Lahteenmaki, A.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [de Zotti, G.] INAF Osservatorio Astron Padova, I-35122 Padua, Italy. [Polenta, G.] INAF Osservatorio Astron Roma, I-00040 Monte Porzio Catone, Italy. [Frailis, M.; Galeotta, S.; Gregorio, A.; Maris, M.; Pasian, F.; Tavagnacco, D.; Zacchei, A.] INAF Osservatorio Astron Trieste, I-34143 Trieste, Italy. [Burigana, C.; Butler, R. C.; Cuttaia, F.; de Rosa, A.; Finelli, F.; Franceschi, E.; Gruppuso, A.; Mandolesi, N.; Morgante, G.; Natoli, P.; Paoletti, D.; Ricciardi, S.; Sandri, M.; Terenzi, L.; Valenziano, L.; Villa, F.] INAF IASE Bologna, I-40129 Bologna, Italy. [Bersanelli, M.; Donzelli, S.; Maino, D.; Mennella, A.; Tomasi, M.] INAF IASF Milano, I-20133 Milan, Italy. [Finelli, F.; Paoletti, D.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Melchiorri, A.; Pagano, L.] Univ Roma La Sapienza, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. [Gregorio, A.] Natl Inst Nucl Phys, I-34127 Trieste, Italy. [Ponthieu, N.] Univ Grenoble 1, CNRS INSU, UMR 5274, Inst Planetol & Astrophys Grenoble, F-38041 Grenoble, France. [Mitra, S.] IUCAA, Pune 411007, Maharashtra, India. [Clements, D. L.; Jaffe, A. H.; Mortlock, D.; Novikov, D.] Univ London Imperial Coll Sci Technol & Med, Astrophys Grp, Blackett Lab, London SW7 2AZ, England. [Paladini, R.; Rusholme, B.] CALTECH, Ctr Infrared Proc & Anal, Pasadena, CA 91125 USA. [Dole, H.] Inst Univ France, F-75005 Paris, France. [Aghanim, N.; Alves, M. I. R.; Aumont, J.; Boulanger, F.; Chamballu, A.; Dole, H.; Douspis, M.; Ghosh, T.; Kunz, M.; Lagache, G.; Miville-Deschenes, M. -A.; Pajot, F.; Ponthieu, N.; Puget, J. -L.; Remazeilles, M.; Verstraete, L.] Univ Paris 11, UMR8617, CNRS, Inst Astrophys Spatiale, F-91405 Orsay, France. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Cardoso, J. -F.; Colombi, S.; Hivon, E.; Moneti, A.; Prunet, S.; Sygnet, J. -F.; Wandelt, B. D.] CNRS, Inst Astrophys Paris, UMR7095, F-75014 Paris, France. [Popa, L.] Inst Space Sci, Bucharest 077125, Romania. [Chiang, L. -Y.] Acad Sinica, Inst Astron & Astrophys, Taipei 10617, Taiwan. [Harrison, D.; Migliaccio, M.; Sutton, D.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Eriksen, H. K.; Hansen, F. K.; Lilje, P. B.; Valiviita, J.] Univ Oslo, Inst Theoret Astrophys, N-0315 Oslo, Norway. [Rebolo, R.; Rubino-Martin, J. A.] Inst Astrofis Canarias, Tenerife 38205, Spain. [Barreiro, R. B.; Curto, A.; Diego, J. M.; Gonzalez-Nuevo, J.; Herranz, D.; Lopez-Caniego, M.; Martinez-Gonzalez, E.; Toffolatti, L.; Vielva, P.] Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. [Bartlett, J. G.; Colombo, L. P. L.; Crill, B. P.; Dore, O.; Gorski, K. M.; Holmes, W. A.; Lawrence, C. R.; Mitra, S.; Pietrobon, D.; Rocha, G.; Wade, L. A.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Bonaldi, A.; Davies, R. D.; Davis, R. J.; Dickinson, C.; Maffei, B.; Noviello, F.; Peel, M.; Remazeilles, M.] Univ Manchester, Sch Phys & Astron, Jodrell Bank, Ctr Astrophys, Manchester M13 9PL, Lancs, England. [Ashdown, M.; Harrison, D.; Lasenby, A.; Migliaccio, M.; Stolyarov, V.; Sutton, D.] Kavli Inst Cosmol Cambridge, Cambridge CB3 0HA, England. [Couchot, F.; Perdereau, O.; Plaszczynski, S.; Tristram, M.; Tucci, M.] Univ Paris 11, CNRS, IN2P3, LAL, F-91405 Orsay, France. [Catalano, A.; Falgarone, E.; Lamarre, J. -M.; Levrier, F.] CNRS, Observ Paris, LERMA, F-75014 Paris, France. [Arnaud, M.; Bobin, J.; Chamballu, A.; Marshall, D. J.; Pratt, G. W.; Starck, J. -L.; Sureau, F.] Univ Paris Diderot, CEA DSM CNRS, Serv Astrophys, Lab AIM,IRFU, F-91191 Gif Sur Yvette, France. [Cardoso, J. -F.] CNRS, Lab Traitement & Commun Informat, UMR 5141, F-75634 Paris 13, France. [Cardoso, J. -F.] Telecom ParisTech, F-75634 Paris 13, France. [Catalano, A.; Macias-Perez, J. F.; Renault, C.] Univ Grenoble 1, CNRS IN2P3, Inst Natl Polytech Grenoble, Lab Phys Subatom & Cosmol, F-38026 Grenoble, France. [Van Tent, B.] Univ Paris 11, Phys Theor Lab, F-91405 Orsay, France. [Van Tent, B.] CNRS, F-91405 Orsay, France. [Kisner, T. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ensslin, T. A.; Hernandez-Monteagudo, C.; Hovest, W.; Knoche, J.; Rachen, J. P.; Reinecke, M.; Riller, T.] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Murphy, J. A.] Natl Univ Ireland, Dept Expt Phys, Maynooth, Kildare, Ireland. [Christensen, P. R.; Naselsky, P.; Novikov, I.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Savini, G.] UCL, Opt Sci Lab, London, England. [Baccigalupi, C.; Bielewicz, P.; Danese, L.; de Zotti, G.; Gonzalez-Nuevo, J.; Perrotta, F.] SISSA, Astrophys Sect, I-34136 Trieste, Italy. [Ade, P. A. R.; Munshi, D.; Spencer, L. D.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3AA, Wales. [Borrill, J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Stolyarov, V.] Russian Acad Sci, Special Astrophys Observ, Zelenchukskiy Region, Karachai Cherke, Russia. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Colombi, S.; Hivon, E.; Prunet, S.; Wandelt, B. D.] Univ Paris 06, UMR7095, F-75014 Paris, France. [Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Forni, O.; Giard, M.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] Univ Toulouse, UPS OMP, IRAP, F-31028 Toulouse 4, France. [Reach, W. T.] Univ Space Res Assoc, Stratospher Observ Infrared Astron, Moffett Field, CA 94035 USA. [Battaner, E.] Univ Granada, Fac Ciencias, Dept Fis Teor & Cosmos, Granada, Spain. [Gorski, K. M.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. RP Alves, MIR (reprint author), Univ Paris 11, UMR8617, CNRS, Inst Astrophys Spatiale, Batiment 121, F-91405 Orsay, France. EM marta.alves@ias.u-psud.fr RI Bobin, Jerome/P-3729-2014; Battaner, Eduardo/P-7019-2014; Vielva, Patricio/F-6745-2014; Barreiro, Rita Belen/N-5442-2014; Yvon, Dominique/D-2280-2015; Martinez-Gonzalez, Enrique/E-9534-2015; Gonzalez-Nuevo, Joaquin/I-3562-2014; Gruppuso, Alessandro/N-5592-2015; Novikov, Dmitry/P-1807-2015; Lahteenmaki, Anne/L-5987-2013; Toffolatti, Luigi/K-5070-2014; Herranz, Diego/K-9143-2014; Lopez-Caniego, Marcos/M-4695-2013; Remazeilles, Mathieu/N-1793-2015; Butler, Reginald/N-4647-2015; Valiviita, Jussi/A-9058-2016; Mazzotta, Pasquale/B-1225-2016; Kurki-Suonio, Hannu/B-8502-2016; Ghosh, Tuhin/E-6899-2016; Tomasi, Maurizio/I-1234-2016; Novikov, Igor/N-5098-2015; Colombo, Loris/J-2415-2016; Nati, Federico/I-4469-2016; popa, lucia/B-4718-2012; Piacentini, Francesco/E-7234-2010; Atrio-Barandela, Fernando/A-7379-2017; Stolyarov, Vladislav/C-5656-2017 OI Zacchei, Andrea/0000-0003-0396-1192; Hivon, Eric/0000-0003-1880-2733; Lilje, Per/0000-0003-4324-7794; Paoletti, Daniela/0000-0003-4761-6147; Savini, Giorgio/0000-0003-4449-9416; Pierpaoli, Elena/0000-0002-7957-8993; Ricciardi, Sara/0000-0002-3807-4043; Villa, Fabrizio/0000-0003-1798-861X; TERENZI, LUCA/0000-0001-9915-6379; Starck, Jean-Luc/0000-0003-2177-7794; Reach, William/0000-0001-8362-4094; Bobin, Jerome/0000-0003-1457-7890; Vielva, Patricio/0000-0003-0051-272X; Barreiro, Rita Belen/0000-0002-6139-4272; Martinez-Gonzalez, Enrique/0000-0002-0179-8590; Gonzalez-Nuevo, Joaquin/0000-0003-1354-6822; Gruppuso, Alessandro/0000-0001-9272-5292; Toffolatti, Luigi/0000-0003-2645-7386; Herranz, Diego/0000-0003-4540-1417; Peel, Mike/0000-0003-3412-2586; Scott, Douglas/0000-0002-6878-9840; Masi, Silvia/0000-0001-5105-1439; de Bernardis, Paolo/0000-0001-6547-6446; Remazeilles, Mathieu/0000-0001-9126-6266; Maris, Michele/0000-0001-9442-2754; Galeotta, Samuele/0000-0002-3748-5115; Pasian, Fabio/0000-0002-4869-3227; WANDELT, Benjamin/0000-0002-5854-8269; Rubino-Martin, Jose Alberto/0000-0001-5289-3021; Finelli, Fabio/0000-0002-6694-3269; De Zotti, Gianfranco/0000-0003-2868-2595; Butler, Reginald/0000-0003-4366-5996; Sandri, Maura/0000-0003-4806-5375; Franceschi, Enrico/0000-0002-0585-6591; Valenziano, Luca/0000-0002-1170-0104; Polenta, Gianluca/0000-0003-4067-9196; Morgante, Gianluca/0000-0001-9234-7412; Matarrese, Sabino/0000-0002-2573-1243; Lopez-Caniego, Marcos/0000-0003-1016-9283; Frailis, Marco/0000-0002-7400-2135; Gregorio, Anna/0000-0003-4028-8785; Cuttaia, Francesco/0000-0001-6608-5017; Burigana, Carlo/0000-0002-3005-5796; Bouchet, Francois/0000-0002-8051-2924; Valiviita, Jussi/0000-0001-6225-3693; Mazzotta, Pasquale/0000-0002-5411-1748; Kurki-Suonio, Hannu/0000-0002-4618-3063; Tomasi, Maurizio/0000-0002-1448-6131; Colombo, Loris/0000-0003-4572-7732; Nati, Federico/0000-0002-8307-5088; Piacentini, Francesco/0000-0002-5444-9327; Atrio-Barandela, Fernando/0000-0002-2130-2513; Stolyarov, Vladislav/0000-0001-8151-828X FU ESA (France); CNES (France); CNRS/INSU-IN2P3-INP (France); ASI (Italy); CNR (Italy); INAF (Italy); NASA (USA); DoE (USA); STFC (UK); UKSA (UK); CSIC (Spain); MICINN (Spain); JA (Spain); Tekes (Finland); AoF (Finland); CSC (Finland); DLR (Germany); MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); DEISA (EU); European Research Council under the European Union [267934] FX We acknowledge the use of the HEALPix (Gorski et al. 2005) package and IRAS data. The Planck Collaboration acknowledges support from: ESA; CNES and CNRS/INSU-IN2P3-INP (France); ASI, CNR, and INAF (Italy); NASA and DoE (USA); STFC and UKSA (UK); CSIC, MICINN and JA (Spain); Tekes, AoF and CSC (Finland); DLR and MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); and DEISA (EU). A detailed description of the Planck Collaboration and a list of its members can be found at http://www.rssd.esa.int/index.php?project=PLANCK&page-Planck-Collaborati on. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no 267934. NR 92 TC 17 Z9 17 U1 2 U2 19 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2014 VL 564 AR A45 DI 10.1051/0004-6361/201322367 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF4GW UT WOS:000334671000045 ER PT J AU Buchner, J Georgakakis, A Nandra, K Hsu, L Rangel, C Brightman, M Merloni, A Salvato, M Donley, J Kocevski, D AF Buchner, J. Georgakakis, A. Nandra, K. Hsu, L. Rangel, C. Brightman, M. Merloni, A. Salvato, M. Donley, J. Kocevski, D. TI X-ray spectral modelling of the AGN obscuring region in the CDFS: Bayesian model selection and catalogue SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE accretion accretion disks; methods: data analysis; methods: statistical; galaxies: nuclei; X-rays: galaxies; galaxies: high-redshift ID ACTIVE GALACTIC NUCLEI; SUPERMASSIVE BLACK-HOLES; DEEP FIELD-SOUTH; SPACE-TELESCOPE OBSERVATIONS; SEYFERT-GALAXIES; PHOTOMETRIC REDSHIFTS; XMM-NEWTON; HIERARCHICAL-MODELS; COMPTON REFLECTION; LIKELIHOOD RATIO AB Aims. Active galactic nuclei are known to have complex X-ray spectra that depend on both the properties of the accreting super-massive black hole (e.g. mass, accretion rate) and the distribution of obscuring material in its vicinity (i.e. the "torus"). Often however, simple and even unphysical models are adopted to represent the X-ray spectra of AGN, which do not capture the complexity and diversity of the observations. In the case of blank field surveys in particular, this should have an impact on e.g. the determination of the AGN luminosity function, the inferred accretion history of the Universe and also on our understanding of the relation between AGN and their host galaxies. Methods. We develop a Bayesian framework for model comparison and parameter estimation of X-ray spectra. We take into account uncertainties associated with both the Poisson nature of X-ray data and the determination of source redshift using photometric methods. We also demonstrate how Bayesian model comparison can be used to select among ten different physically motivated X-ray spectral models the one that provides a better representation of the observations. This methodology is applied to X-ray AGN in the 4 Ms Chandra Deep Field South. Results. For the similar to 350 AGN in that field, our analysis identifies four components needed to represent the diversity of the observed X-ray spectra: (1) an intrinsic power law; (2) a cold obscurer which reprocesses the radiation due to photo-electric absorption, Compton scattering and Fe-K fluorescence; (3) an unabsorbed power law associated with Thomson scattering off ionised clouds: and (4) Compton reflection, most noticeable from a stronger-than-expected Fe-K line. Simpler models, such as a photo-electrically absorbed power law with a Thomson scattering component, are ruled out with decisive evidence (B > 100). We also find that ignoring the Thomson scattering component results in underestimation of the inferred column density, N-H, of the obscurer. Regarding the geometry of the obscurer, there is strong evidence against both a completely closed (e.g. sphere), or entirely open (e.g. blob of material along the line of sight), toroidal geometry in favour of an intermediate case. Conclusions. Despite the use of low-count spectra, our methodology is able to draw strong inferences on the geometry of the torus. Simpler models are ruled out in favour of a geometrically extended structure with significant Compton scattering. We confirm the presence of a soft component, possibly associated with Thomson scattering off ionised clouds in the opening angle of the torus. The additional Compton reflection required by data over that predicted by toroidal geometry models, may be a sign of a density gradient in the torus or reflection off the accretion disk. Finally, we release a catalogue of AGN in the CDFS with estimated parameters such as the accretion luminosity in the 2-10 keV band and the column density, N-H, of the obscurer. C1 [Buchner, J.; Georgakakis, A.; Nandra, K.; Hsu, L.; Brightman, M.; Merloni, A.; Salvato, M.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Rangel, C.] Univ London Imperial Coll Sci Technol & Med, Astrophys Grp, London SW7 2AZ, England. [Donley, J.] Los Alamos Natl Lab, Los Alamos, NM USA. [Kocevski, D.] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. [Georgakakis, A.] Natl Observ Athens, V Paulou 11532, Greece. [Georgakakis, A.] Natl Observ Athens, I Metaxa 11532, Greece. RP Buchner, J (reprint author), Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. EM johannes.buchner.acad@gmx.com RI Georgakakis, Antonis/K-4457-2013; OI Buchner, Johannes/0000-0003-0426-6634; Georgakakis, Antonis/0000-0002-3514-2442 FU Max-Planck-Gesellschaft stipend; Chandra X-ray Center (CXC); THALES project [383549]; European Union; Greek Government FX JB thanks Farhan Feroz for proofreading the methodology section. Remaining errors are JB's. JB acknowledges financial support through a Max-Planck-Gesellschaft stipend. We also thank the builders and operators of Chandra. This research has made use of software provided by the Chandra X-ray Center (CXC) in the application package CIAO. AGE acknowledges the THALES project 383549, which is jointly funded by the European Union and the Greek Government in the framework of the programme "Education and Lifelong Learning". NR 93 TC 49 Z9 49 U1 0 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 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2014 VL 564 AR A125 DI 10.1051/0004-6361/201322971 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF4GW UT WOS:000334671000125 ER PT J AU Occhiogrosso, A Vasyunin, A Herbst, E Viti, S Ward, MD Price, SD Brown, WA AF Occhiogrosso, A. Vasyunin, A. Herbst, E. Viti, S. Ward, M. D. Price, S. D. Brown, W. A. TI Ethylene oxide and acetaldehyde in hot cores SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE astrochemistry; stars: abundances; ISM: abundances; ISM: molecules ID GAS-GRAIN CHEMISTRY; MONTE-CARLO TREATMENT; STAR-FORMING REGIONS; VINYL ALCOHOL; INTERSTELLAR; MOLECULES; DESORPTION; C-C2H4O; CLOUDS; MODEL AB Context. Ethylene oxide (c-C2H4O), and its isomer acetaldehyde (CH3CHO), are important complex organic molecules because of their potential role in the formation of amino acids. The discovery of ethylene oxide in hot cores suggests the presence of ring-shaped molecules with more than 3 carbon atoms such as furan (c-C4H4O), to which ribose, the sugar found in DNA, is closely related. Aims. Despite the fact that acetaldehyde is ubiquitous in the interstellar medium, ethylene oxide has not yet been detected in cold sources. We aim to understand the chemistry of the formation and loss of ethylene oxide in hot and cold interstellar objects (i) by including in a revised gas-grain network some recent experimental results on grain surfaces and (ii) by comparison with the chemical behaviour of its isomer, acetaldehyde. Methods. We introduce a complete chemical network for ethylene oxide using a revised gas-grain chemical model. We test the code for the case of a hot core. The model allows us to predict the gaseous and solid ethylene oxide abundances during a cooling-down phase prior to star formation and during the subsequent warm-up phase. We can therefore predict at what temperatures ethylene oxide forms on grain surfaces and at what temperature it starts to desorb into the gas phase. Results. The model reproduces the observed gaseous abundances of ethylene oxide and acetaldehyde towards high-mass star-forming regions. In addition, our results show that ethylene oxide may be present in outer and cooler regions of hot cores where its isomer has already been detected. Our new results are compared with previous results, which focused on the formation of ethylene oxide only. Conclusions. Despite their different chemical structures, the chemistry of ethylene oxide is coupled to that of acetaldehyde, suggesting that acetaldehyde may be used as a tracer for ethylene oxide towards cold cores. C1 [Occhiogrosso, A.; Viti, S.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Vasyunin, A.; Herbst, E.] Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA. [Ward, M. D.] Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. [Price, S. D.] UCL, Dept Chem, London WC1H 0AJ, England. [Brown, W. A.] Univ Sussex, Dept Chem, Brighton BN1 9QJ, E Sussex, England. [Vasyunin, A.] Ural Fed Univ, Ekaterinburg, Russia. RP Occhiogrosso, A (reprint author), UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. EM ao@star.ucl.ac.uk RI Brown, Wendy/B-9434-2008; Vasyunin, Anton/N-9112-2016 OI Brown, Wendy/0000-0001-5934-1270; Vasyunin, Anton/0000-0003-1684-3355 FU (European Community's) Seventh Framework Program (FP7/2007-2013) [238258]; National Science Foundation (US); NASA Exobiology and Evolutionary Biology program through Rensselaer Polytechnic Institute; NASA Exobiology and Evolutionary Biology program FX The research leading to these results has received funding from the (European Community's) Seventh Framework Program (FP7/2007-2013) under grant agreement n degrees 238258. E.H. acknowledges the support of the National Science Foundation (US) for his astrochemistry program, and support from the NASA Exobiology and Evolutionary Biology program through a subcontract from Rensselaer Polytechnic Institute. NR 35 TC 2 Z9 2 U1 6 U2 24 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 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2014 VL 564 AR A123 DI 10.1051/0004-6361/201322598 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AF4GW UT WOS:000334671000123 ER PT J AU Williams, PT Zhao, XQ Marcovina, SM Otvos, JD Brown, BG Krauss, RM AF Williams, Paul T. Zhao, Xue-Qiao Marcovina, Santica M. Otvos, James D. Brown, B. Greg Krauss, Ronald M. TI Comparison of four methods of analysis of lipoprotein particle subfractions for their association with angiographic progression of coronary artery disease SO ATHEROSCLEROSIS LA English DT Article DE Lipoprotein subfractions; Low-density lipoproteins; Very low density lipoproteins; High density lipoproteins; Angiography; Coronary artery disease; Prevention ID LOW-DENSITY-LIPOPROTEIN; VAP-II METHODOLOGY; CARDIOVASCULAR-DISEASE; APOLIPOPROTEIN-B; CHOLESTEROL; RISK; SIZE; LDL; PREVENTION; SUBCLASSES AB Background: Compare gradient gel electrophoresis (GGE), vertical auto profile ultracentrifugation (VAP-II), nuclear magnetic resonance spectroscopy (NMR), and ion mobility for their ability to relate low (LDL), intermediate- (IDL), very-low-density (VLDL) and high-density lipoprotein (HDL) subfraction concentrations to atherosclerotic progression. Methods and results: Regression analyses of 136 patients who received baseline and follow-up coronary angiographies and subfraction measurements by all four methods in the HDL Atherosclerosis Treatment Study. Prior analyses have shown that the intervention primarily affected disease progression in proximal arteries with <30% stenoses at baseline. Three-year increases in percent stenoses were consistently associated with higher on-study plasma concentrations of small, dense LDL as measured by GGE (LDLIIIb, P = 10(-6); LDLIVa, P = 0.006; LDLIVb, P = 0.02), VAP-II (LDL4, P = 0.002), NMR (small LDL, P = 0.001), and ion mobility (LDL IIb, P = 0.04; LDLIIIa, P = 0.002; LDLIIIb, P = 0.0007; LDLIVa, P = 0.05). Adjustment for triglycerides, HDL-cholesterol, and LDL-cholesterol failed to eliminate the statistical significance for on-study GGE estimated LDLIIIb (P = 10(-5)) and LDLIVa (P = 0.04); NMR-estimated small LDL (P = 0.03); or ion mobility estimated large VLDL (P = 0.02), LDLIIIa (P = 0.04) or LDLIIIb (P = 0.02). All methods show that the effects were significantly greater for the on-study than the baseline small, dense LDL concentrations, thus establishing that the values concurrent to the progression of disease were responsible. The rate of disease progression was also related to individual VLDL, IDL, and HDL subclasses to differing extents among the various analytic methods. Conclusion: Four methodologies confirm the association of small, dense LDL with greater coronary atherosclerosis progression, and GGE, NMR, and ion mobility confirm that the associations were independent of standard lipid measurements. (C) 2014 Published by Elsevier Ireland Ltd. C1 [Williams, Paul T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Zhao, Xue-Qiao; Brown, B. Greg] Univ Washington, Dept Med, Div Cardiol, Seattle, WA USA. [Marcovina, Santica M.] Univ Washington, Dept Med, Northwest Lipid Res Labs, Seattle, WA USA. [Otvos, James D.] LipoSci Inc, Raleigh, NC USA. [Krauss, Ronald M.] Childrens Hosp Oakland Res Inst, Oakland, CA 94609 USA. RP Krauss, RM (reprint author), Childrens Hosp Oakland Res Inst, 5700 Martin Luther King Jr Way, Oakland, CA 94609 USA. EM rkrauss@chori.org FU National Institutes of Health [R01 HL49546]; Clinical Nutrition Research Unit [DK 35816]; Diabetes Endocrinology Research Center [DK 17047]; Clinical Research Center at the University of Washington [MO1 00037] FX Supported by grants from the National Institutes of Health (R01 HL49546), the Clinical Nutrition Research Unit (DK 35816), and the Diabetes Endocrinology Research Center (DK 17047). A portion of this study was performed in the Clinical Research Center at the University of Washington (under grant MO1 00037). Drugs were supplied by Upsher-Smith Laboratories and Merck. NR 33 TC 20 Z9 20 U1 3 U2 9 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0021-9150 EI 1879-1484 J9 ATHEROSCLEROSIS JI Atherosclerosis PD APR PY 2014 VL 233 IS 2 BP 713 EP 720 DI 10.1016/j.atherosclerosis.2014.01.034 PG 8 WC Cardiac & Cardiovascular Systems; Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA AE9OM UT WOS:000334337200061 PM 24603218 ER PT J AU Vargis, E Peterson, CB Morrell-Falvey, JL Retterer, ST Collier, CP AF Vargis, Elizabeth Peterson, Cristen B. Morrell-Falvey, Jennifer L. Retterer, Scott T. Collier, Charles Patrick TI The effect of retinal pigment epithelial cell patch size on growth factor expression SO BIOMATERIALS LA English DT Article DE Microcontact printing; Retinal pigment epithelial; Tight junctions; VEGF; In vitro model; Micropatterning ID MACULAR DEGENERATION; DISEASE; ATROPHY AB The spatial organization of retinal pigment epithelial (RPE) cells grown in culture was controlled using micropatterning techniques in order to examine the effect of patch size on cell health and differentiation. Understanding this effect is a critical step in the development of multiplexed high throughput fluidic assays and provides a model for replicating disease states associated with the deterioration of retinal tissue during age-related macular degeneration (AMD). Microcontact printing of fibronectin on polystyrene and glass substrates was used to promote cell attachment, forming RPE patches of controlled size and shape. These colonies mimic the effect of atrophy and loss-of-function that occurs in the retina during degenerative diseases such as AMD. After 72 h of cell growth, levels of vascular endothelial growth factor (VEGF), an important biomarker of AMD, were measured. Cells were counted and morphological indicators of cell viability and tight junction formation were assessed via fluorescence microscopy. Up to a twofold increase of VEGF expression per cell was measured as colony size decreased, suggesting that the local microenvironment of, and connections between, RPE cells influences growth factor expression leading to the initiation and progression of diseases such as AMD. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Vargis, Elizabeth; Retterer, Scott T.; Collier, Charles Patrick] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Vargis, Elizabeth] Univ Tennessee, Joint Inst Biol Sci, Knoxville, TN 37996 USA. [Peterson, Cristen B.; Morrell-Falvey, Jennifer L.; Retterer, Scott T.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Retterer, ST (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM rettererst@ornl.gov; colliercp@ornl.gov RI Retterer, Scott/A-5256-2011; Morrell-Falvey, Jennifer/A-6615-2011; Collier, Charles/C-9206-2016; OI Retterer, Scott/0000-0001-8534-1979; Morrell-Falvey, Jennifer/0000-0002-9362-7528; Collier, Charles/0000-0002-8198-793X; Vargis, Elizabeth/0000-0003-3141-9317 FU Scientific User Facilities Division,Office of Basic Energy Sciences, U.S. Department of Energy FX A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 25 TC 1 Z9 1 U1 1 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 EI 1878-5905 J9 BIOMATERIALS JI Biomaterials PD APR PY 2014 VL 35 IS 13 BP 3999 EP 4004 DI 10.1016/j.biomaterials.2014.01.016 PG 6 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA AF1NQ UT WOS:000334481000008 PM 24485792 ER PT J AU Oleskowicz-Popiel, P Klein-Marcuschamer, D Simmons, BA Blanch, HW AF Oleskowicz-Popiel, Piotr Klein-Marcuschamer, Daniel Simmons, Blake A. Blanch, Harvey W. TI Lignocellulosic ethanol production without enzymes - Technoeconomic analysis of ionic liquid pretreatment followed by acidolysis SO BIORESOURCE TECHNOLOGY LA English DT Article DE Biofuels; Technoeconomic analysis; Acidolysis; Pretreatment; Ionic liquids ID ENZYMATIC-HYDROLYSIS; CELLULOSIC ETHANOL; SOLVENT-EXTRACTION; BIOMASS; TECHNOLOGIES; DISSOLUTION; BIOFUELS; SUGARS; COST; ACID AB Deconstruction of polysaccharides into fermentable sugars remains the key challenge in the production of inexpensive lignocellulosic biofuels. Typically, costly enzymatic saccharification of the pretreated biomass is used to depolymerize its cellulosic content into fermentable monomers. In this work, we examined the production of lignocellulosic recovery, a process that does not require the use of enzymes to produce fermentable sugars. In the base case, the minimum ethanol selling price (MESP) was $8.05/gal, but with improved performance of the hydrolysis, extraction, and sugar recovery, the MESP can be lowered to $4.00/gal. Additionally, two scenarios involving lignin recovery were considered. Although the results based on current assumptions indicate that this process is expensive compared to more established technologies, improvements in the hydrolysis yield, the sugar extraction efficiency, and the sugar recovery were shown to result in more competitive processes. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Oleskowicz-Popiel, Piotr; Klein-Marcuschamer, Daniel; Simmons, Blake A.; Blanch, Harvey W.] Joint Bioenergy Inst, Emeryville, CA 94608 USA. [Oleskowicz-Popiel, Piotr; Klein-Marcuschamer, Daniel; Simmons, Blake A.; Blanch, Harvey W.] 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. [Blanch, Harvey W.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Blanch, HW (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, 201 Gilman Hall, Berkeley, CA 94720 USA. EM piotr.oleskowicz-popiel@put.poznan.pl; DKlein@lbl.gov; BASimmons@lbl.gov; blanch@berkeley.edu RI Oleskowicz-Popiel, Piotr/F-7810-2014; OI Oleskowicz-Popiel, Piotr/0000-0003-3852-0098; Simmons, Blake/0000-0002-1332-1810 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; U.S. Department of Energy; U.S. DOE, Energy Efficiency; Renewable Energy Technology Commercialization Fund; Statoil FX This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. Project funding was provided by the U.S. DOE, Energy Efficiency and Renewable Energy Technology Commercialization Fund; additional funding from Statoil is acknowledged. NR 26 TC 7 Z9 7 U1 2 U2 33 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD APR PY 2014 VL 158 BP 294 EP 299 DI 10.1016/j.biortech.2014.02.016 PG 6 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AF6MX UT WOS:000334830300041 PM 24632406 ER PT J AU Archambault-Leger, V Lynd, LR AF Archambault-Leger, Veronique Lynd, Lee R. TI Fluid mechanics relevant to flow through pretreatment of cellulosic biomass SO BIORESOURCE TECHNOLOGY LA English DT Article DE Flow through; Pretreatment; Pressure drop; Bagasse; Fluid mechanics ID COUNTERCURRENT EXTRACTION; HOT-WATER; HEMICELLULOSE; DIGESTIBILITY; TECHNOLOGIES; HYDROLYSIS; RECOVERY; PLANTS AB The present study investigates fluid mechanical properties of cellulosic feedstocks relevant to flow through (FT) pretreatment for biological conversion of cellulosic biomass. The results inform identifying conditions for which FT pretreatment can be implemented in a practical context. Measurements of pressure drop across packed beds, viscous compaction and water absorption are reported for milled and not milled sugarcane bagasse, switchgrass and poplar, and important factors impacting viscous flow are deduced. Using biomass knife-milled to pass through a 2 mmsieve, the observed pressure drop was highest for bagasse, intermediate for switchgrass and lowest for poplar. The highest pressure drop was associated with the presence of more fine particles, greater viscous compaction and the degree of water absorption. Using bagasse without particle size reduction, the instability of the reactor during pretreatment above 140 kg/m(3) sets an upper bound on the allowable concentration for continuous stable flow. (C) 2014 Published by Elsevier Ltd. C1 [Archambault-Leger, Veronique; Lynd, Lee R.] Dartmouth Coll, Hanover, NH 03755 USA. [Archambault-Leger, Veronique; Lynd, Lee R.] Oak Ridge Natl Lab, DOE BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. [Lynd, Lee R.] Mascoma Corp, Lebanon, NH 03766 USA. RP Lynd, LR (reprint author), Dartmouth Coll, 14 Engn Dr, Hanover, NH 03755 USA. EM Veronique.Archambault-Leger@Dartmouth.edu; Lee.R.Lynd@Dartmouth.edu FU Link Energy Foundation; BioEnergy Science Center (BESC); Office of Biological and Environmental Research in the DOE Office of Science,; Oak Ridge National Laboratory; Mascoma Corporation; Department of Energy [DE-AC05-00OR22725] FX The authors are grateful for the support provided by funding Grants from the Link Energy Foundation, the BioEnergy Science Center (BESC), a U.S. Department of Energy (DOE) Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science, Oak Ridge National Laboratory, and Mascoma Corporation. Oak Ridge National Laboratory is managed by University of Tennessee UT-Battelle LLC for the Department of Energy under Contract No. DE-AC05-00OR22725. NR 19 TC 5 Z9 5 U1 0 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD APR PY 2014 VL 157 BP 278 EP 283 DI 10.1016/j.biortech.2014.01.035 PG 6 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AF6MQ UT WOS:000334829600038 PM 24566286 ER PT J AU Hernandez-Cruz, D Hargis, CW Bae, S Itty, PA Meral, C Dominowski, J Radler, MJ Kilcoyne, DA Monteiro, PJM AF Hernandez-Cruz, Daniel Hargis, Craig W. Bae, Sungchul Itty, Pierre A. Meral, Cagla Dominowski, Jolee Radler, Michael J. Kilcoyne, David A. Monteiro, Paulo J. M. TI Multiscale characterization of chemical-mechanical interactions between polymer fibers and cementitious matrix SO CEMENT & CONCRETE COMPOSITES LA English DT Article DE Reinforcing concrete fiber; STXM; mu CT; Hybrid fiber; NEXAFS ID ALKALI-SILICA REACTION; RAY TRANSMISSION MICROSCOPY; PORTLAND-CEMENT; COMPOSITES; HYDRATION; HYDROXIDE; ADHESION; BEHAVIOR; MORTAR; EVA AB Together with a series of mechanical tests, the interactions and potential bonding between polymeric fibers and cementitious materials were studied using scanning transmission X-ray microscopy (STXM) and microtomography (mu CT). Experimental results.showed that these techniques have great potential to characterize the polymer fiber-hydrated cement-paste matrix interface, as well as differentiating the chemistry of the two components of a bi-polymer (hybrid) fiber-the polypropylene core and the ethylene acrylic acid copolymer sheath. Similarly, chemical interactions between the hybrid fiber and the cement hydration products were observed, indicating the chemical bonding between the sheath and the hardened cement paste matrix. Microtomography allowed visualization of the performance of the samples, and the distribution and orientation of the two types of fiber in mortar. Beam flexure tests confirmed improved tensile strength of mixes containing hybrid fibers, and expansion bar tests showed similar reductions in expansion for the polypropylene and hybrid fiber mortar bars. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Hernandez-Cruz, Daniel] Univ Autonoma Chiapas, Fac Engn, Tuxtla Gutierrez, Chiapas, Mexico. [Hernandez-Cruz, Daniel; Hargis, Craig W.; Bae, Sungchul; Itty, Pierre A.; Meral, Cagla; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Dominowski, Jolee; Radler, Michael J.] Dow Construct Chem, Midland, MI USA. [Kilcoyne, David A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Meral, Cagla] Middle East Tech Univ, Ankara, Turkey. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, 725 Davis Hall, Berkeley, CA 94720 USA. EM monteiro@ce.berkeley.edu RI Kilcoyne, David/I-1465-2013; Meral, Cagla/K-8590-2013; OI Meral, Cagla/0000-0001-8720-1216; Hernandez Cruz, Daniel/0000-0003-4950-7155 FU Berkeley Fellowship; Carlson-Polivka Fellowship; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-ACO2-05CH11231] FX C.W. Hargis was supported by the Berkeley Fellowship for Graduate Study and the Carlson-Polivka Fellowship. The authors want to acknowledge Tony Warwick for all his support at the Advanced Light Source. And to Gabriel Jen for his valuable comments on the fiber reinforced mortar. 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-ACO2-05CH11231. NR 34 TC 8 Z9 8 U1 3 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0958-9465 EI 1873-393X J9 CEMENT CONCRETE COMP JI Cem. Concr. Compos. PD APR PY 2014 VL 48 BP 9 EP 18 DI 10.1016/j.cemconcomp.2014.01.001 PG 10 WC Construction & Building Technology; Materials Science, Composites SC Construction & Building Technology; Materials Science GA AF1OW UT WOS:000334484200002 ER PT J AU Meyer, DE Upadhyayula, VKK AF Meyer, David E. Upadhyayula, Venkata K. K. TI The use of life cycle tools to support decision making for sustainable nanotechnologies SO CLEAN TECHNOLOGIES AND ENVIRONMENTAL POLICY LA English DT Article DE Nanotechnology; Sustainability; Life cycle assessment (LCA); Life cycle risk assessment (LCRA); Life cycle costing (LCC); Social life cycle assessment (SLCA); Life cycle sustainability assessment (LCSA) ID RISK-ASSESSMENT; ENGINEERED NANOMATERIALS; POLICY-MAKING; ENVIRONMENTAL ASSESSMENT; UNCERTAINTY ANALYSIS; MANAGEMENT; NANOPARTICLES; IMPACT; OPPORTUNITIES; NANOPRODUCTS AB Nanotechnology is a broad-impact technology with applications ranging from materials and electronics to analytical methods and metrology. The many benefits that can be realized through the utilization of nanotechnology are intended to lead to an improved quality of life. However, numerous concerns have been expressed regarding the unchecked growth of nanotechnology and the unforeseen consequences it may bring. To address the concerns, nanotechnology must be examined under the microscope of sustainability. This work applies the life cycle perspective to provide an understanding of the challenges facing the development of sustainable nanotechnology. A discussion of the holistic tools used to assess the components of sustainability serves as the basis to examine how a harmony between policy and product development can be maintained using decision making for sustainability. This harmony will be most readily achieved using an enhanced risk management strategy for sustainability that combines sustainability assessment with sustainable chemical design. C1 [Meyer, David E.] US EPA, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA. [Upadhyayula, Venkata K. K.] ORISE, Oak Ridge, TN 37831 USA. RP Meyer, DE (reprint author), US EPA, Natl Risk Management Res Lab, 26 W Martin Luther King Dr, Cincinnati, OH 45268 USA. EM meyer.david@epa.gov FU US Environmental Protection Agency through its Office of Research and Development; National Risk Management Research Laboratory; US Department of Energy [DW 89- 92298301-0]; US Environmental Protection Agency [DW 89- 92298301-0] FX The US Environmental Protection Agency through its Office of Research and Development funded the research described here. It has not been subjected to Agency review and therefore does not necessarily reflect the views of the Agency, and no official endorsement should be inferred. This research was supported in part by an appointment of Venkata K. K. Upadhyayula in the Postdoctoral Research Program at the National Risk Management Research Laboratory, administered by the Oak Ridge Institute for Science and Education through Interagency Agreement No. DW 89- 92298301-0 between the US Department of Energy and the US Environmental Protection Agency. NR 103 TC 14 Z9 14 U1 6 U2 44 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1618-954X EI 1618-9558 J9 CLEAN TECHNOL ENVIR JI Clean Technol. Environ. Policy PD APR PY 2014 VL 16 IS 4 SI SI BP 757 EP 772 DI 10.1007/s10098-013-0686-3 PG 16 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA AF4KF UT WOS:000334680100010 ER PT J AU Kriegler, E Weyant, JP Blanford, GJ Krey, V Clarke, L Edmonds, J Fawcett, A Luderer, G Riahi, K Richels, R Rose, SK Tavoni, M van Vuuren, DP AF Kriegler, Elmar Weyant, John P. Blanford, Geoffrey J. Krey, Volker Clarke, Leon Edmonds, Jae Fawcett, Allen Luderer, Gunnar Riahi, Keywan Richels, Richard Rose, Steven K. Tavoni, Massimo van Vuuren, Detlef P. TI The role of technology for achieving climate policy objectives: overview of the EMF 27 study on global technology and climate policy strategies SO CLIMATIC CHANGE LA English DT Article ID ENERGY; MITIGATION; TARGETS; COSTS AB This article presents the synthesis of results from the Stanford Energy Modeling Forum Study 27, an inter-comparison of 18 energy-economy and integrated assessment models. The study investigated the importance of individual mitigation options such as energy intensity improvements, carbon capture and storage (CCS), nuclear power, solar and wind power and bioenergy for climate mitigation. Limiting the atmospheric greenhouse gas concentration to 450 or 550 ppm CO2 equivalent by 2100 would require a decarbonization of the global energy system in the 21(st) century. Robust characteristics of the energy transformation are increased energy intensity improvements and the electrification of energy end use coupled with a fast decarbonization of the electricity sector. Non-electric energy end use is hardest to decarbonize, particularly in the transport sector. Technology is a key element of climate mitigation. Versatile technologies such as CCS and bioenergy are found to be most important, due in part to their combined ability to produce negative emissions. The importance of individual low-carbon electricity technologies is more limited due to the many alternatives in the sector. The scale of the energy transformation is larger for the 450 ppm than for the 550 ppm CO(2)e target. As a result, the achievability and the costs of the 450 ppm target are more sensitive to variations in technology availability. C1 [Kriegler, Elmar; Luderer, Gunnar] Potsdam Inst Climate Impact Res, D-14473 Potsdam, Germany. [Weyant, John P.] Stanford Univ, Palo Alto, CA 94304 USA. [Blanford, Geoffrey J.; Richels, Richard; Rose, Steven K.] Elect Power Res Inst, Energy & Environm Anal Res Grp, Washington, DC USA. [Clarke, Leon; Edmonds, Jae] Univ Maryland, Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20742 USA. [Fawcett, Allen] US EPA, Washington, DC 20460 USA. [Krey, Volker; Riahi, Keywan] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. [Tavoni, Massimo] FEEM, Milan, Italy. [Tavoni, Massimo] CMCC, Milan, Italy. [van Vuuren, Detlef P.] PBL Netherlands Environm Assessment Agcy, Bilthoven, Netherlands. [van Vuuren, Detlef P.] Univ Utrecht, Dept Geosci, Utrecht, Netherlands. RP Kriegler, E (reprint author), Potsdam Inst Climate Impact Res, Telegrafenberg A31, D-14473 Potsdam, Germany. EM kriegler@pik-potsdam.de RI Luderer, Gunnar/G-2967-2012; van Vuuren, Detlef/A-4764-2009; Kriegler, Elmar/I-3048-2016; Riahi, Keywan/B-6426-2011 OI van Vuuren, Detlef/0000-0003-0398-2831; Kriegler, Elmar/0000-0002-3307-2647; Riahi, Keywan/0000-0001-7193-3498 FU Office of Science of the U.S. Department of Energy [DE-AC05-76RL01830]; European Commission [282846] FX Jae Edmonds and Leon Clarke are grateful for research support provided by the Integrated Assessment Research Program in the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-76RL01830. Results reported for the GCAM model used Evergreen computing resources at the Pacific Northwest National Laboratory's Joint Global Change Research Institute at the University of Maryland in College Park, which is supported by the Integrated Assessment Research Program in the Office of Science of the U.S. Department of Energy. The views and opinions expressed in this paper are those of the authors alone.; The contribution of Elmar Kriegler, Volker Krey, Gunnar Luderer, Keywan Riahi, Massimo Tavoni and Detlev van Vuuren to this research was supported by funding from the European Commission's Seventh Framework Programme under the LIMITS project (grant agreement no. 282846). NR 17 TC 92 Z9 93 U1 7 U2 50 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2014 VL 123 IS 3-4 SI SI BP 353 EP 367 DI 10.1007/s10584-013-0953-7 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AF0OW UT WOS:000334414900002 ER PT J AU Rose, SK Kriegler, E Bibas, R Calvin, K Popp, A van Vuuren, DP Weyant, J AF Rose, Steven K. Kriegler, Elmar Bibas, Ruben Calvin, Katherine Popp, Alexander van Vuuren, Detlef P. Weyant, John TI Bioenergy in energy transformation and climate management SO CLIMATIC CHANGE LA English DT Article ID CARBON CAPTURE; LAND-USE; STORAGE; COSTS AB This study explores the importance of bioenergy to potential future energy transformation and climate change management. Using a large inter-model comparison of 15 models, we comprehensively characterize and analyze future dependence on, and the value of, bioenergy in achieving potential long-run climate objectives. Model scenarios project, by 2050, bioenergy growth of 1 to 10 % per annum reaching 1 to 35 % of global primary energy, and by 2100, bioenergy becoming 10 to 50 % of global primary energy. Non-OECD regions are projected to be the dominant suppliers of biomass, as well as consumers, with up to 35 % of regional electricity from biopower by 2050, and up to 70 % of regional liquid fuels from biofuels by 2050. Bioenergy is found to be valuable to many models with significant implications for mitigation and macroeconomic costs of climate policies. The availability of bioenergy, in particular biomass with carbon dioxide capture and storage (BECCS), notably affects the cost-effective global emissions trajectory for climate management by accommodating prolonged near-term use of fossil fuels, but with potential implications for climate outcomes. Finally, we find that models cost-effectively trade-off land carbon and nitrous oxide emissions for the long-run climate change management benefits of bioenergy. The results suggest opportunities, but also imply challenges. Overall, further evaluation of the viability of large-scale global bioenergy is merited. C1 [Rose, Steven K.] Elect Power Res Inst, Energy & Environm Anal Res Grp, Washington, DC 20036 USA. [Kriegler, Elmar; Popp, Alexander] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Bibas, Ruben] CIRED, Nogent Sur Marne, France. [Calvin, Katherine] Univ Maryland, Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20742 USA. [van Vuuren, Detlef P.] PBL Netherlands Environm Assessment Agcy, Bilthoven, Netherlands. [van Vuuren, Detlef P.] Univ Utrecht, Dept Geosci, Utrecht, Netherlands. [Weyant, John] Stanford Univ, Palo Alto, CA 94304 USA. RP Rose, SK (reprint author), Elect Power Res Inst, Energy & Environm Anal Res Grp, 2000 L St NW,Suite 805, Washington, DC 20036 USA. EM srose@epri.com RI Popp, Alexander/N-7064-2014; van Vuuren, Detlef/A-4764-2009; Kriegler, Elmar/I-3048-2016; OI van Vuuren, Detlef/0000-0003-0398-2831; Kriegler, Elmar/0000-0002-3307-2647; Calvin, Katherine/0000-0003-2191-4189 FU Electric Power Research Institute; European Commission [282846]; Chair "Modeling for Sustainable Development."; Office of Science of the U.S. Department of Energy as part of the Integrated Assessment Research Program FX This article benefitted greatly from the comments of the anonymous reviewers, as well as from overall feedback from EMF-27 Study participants. The contribution of S. R. was supported by the Electric Power Research Institute. The contributions of E. K., A. P., and D. v. V. were supported by funding from the European Commission's Seventh Framework Programme under the LIMITS project (grant agreement no. 282846). The contribution of R. B. was supported with funding from the Chair "Modeling for Sustainable Development." The contribution of K. C. was supported by the Office of Science of the U.S. Department of Energy as part of the Integrated Assessment Research Program. The views expressed in this work are solely those of the authors and do not represent those of funding organizations. All errors are our own. NR 19 TC 32 Z9 32 U1 4 U2 36 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2014 VL 123 IS 3-4 SI SI BP 477 EP 493 DI 10.1007/s10584-013-0965-3 PG 17 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AF0OW UT WOS:000334414900010 ER PT J AU Popp, A Rose, SK Calvin, K Van Vuuren, DP Dietrich, JP Wise, M Stehfest, E Humpenoder, F Kyle, P Van Vliet, J Bauer, N Lotze-Campen, H Klein, D Kriegler, E AF Popp, Alexander Rose, Steven K. Calvin, Katherine Van Vuuren, Detlef P. Dietrich, Jan Phillip Wise, Marshall Stehfest, Elke Humpenoeder, Florian Kyle, Page Van Vliet, Jasper Bauer, Nico Lotze-Campen, Hermann Klein, David Kriegler, Elmar TI Land-use transition for bioenergy and climate stabilization: model comparison of drivers, impacts and interactions with other land use based mitigation options SO CLIMATIC CHANGE LA English DT Article ID BIO-ENERGY; MISCANTHUS; EMISSIONS; CROP AB In this article, we evaluate and compare results from three integrated assessment models (GCAM, IMAGE, and ReMIND/MAgPIE) regarding the drivers and impacts of bioenergy production on the global land system. The considered model frameworks employ linked energy, economy, climate and land use modules. By the help of these linkages the direct competition of bioenergy with other energy technology options for greenhouse gas (GHG) mitigation, based on economic costs and GHG emissions from bioenergy production, has been taken into account. Our results indicate that dedicated bioenergy crops and biomass residues form a potentially important and cost-effective input into the energy system. At the same time, however, the results differ strongly in terms of deployment rates, feedstock composition and land-use and greenhouse gas implications. The current paper adds to earlier work by specific looking into model differences with respect to the land-use component that could contribute to the noted differences in results, including land cover allocation, land use constraints, energy crop yields, and non-bioenergy land mitigation options modeled. In scenarios without climate change mitigation, bioenergy cropland represents 10-18 % of total cropland by 2100 across the different models, and boosts cropland expansion at the expense of carbon richer ecosystems. Therefore, associated emissions from land-use change and agricultural intensification as a result of bio-energy use range from 14 and 113 Gt CO2-eq cumulatively through 2100. Under climate policy, bioenergy cropland increases to 24-36 % of total cropland by 2100. C1 [Popp, Alexander; Dietrich, Jan Phillip; Humpenoeder, Florian; Bauer, Nico; Lotze-Campen, Hermann; Klein, David; Kriegler, Elmar] Potsdam Inst Climate Impact Res PIK, D-14412 Potsdam, Germany. [Rose, Steven K.] EPRI, Energy & Environm Anal Res Grp, Washington, DC 20036 USA. [Calvin, Katherine; Wise, Marshall; Kyle, Page] Univ Maryland, Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20740 USA. [Van Vuuren, Detlef P.; Stehfest, Elke; Van Vliet, Jasper] PBL Netherlands Environm Assessment Agcy, Bilthoven, Netherlands. [Van Vuuren, Detlef P.] Univ Utrecht, Dept Geosci, Utrecht, Netherlands. RP Popp, A (reprint author), Potsdam Inst Climate Impact Res PIK, POB 60 12 03, D-14412 Potsdam, Germany. EM popp@pik-potsdam.de RI Popp, Alexander/N-7064-2014; van Vuuren, Detlef/A-4764-2009; Kriegler, Elmar/I-3048-2016; OI van Vuuren, Detlef/0000-0003-0398-2831; Kriegler, Elmar/0000-0002-3307-2647; Calvin, Katherine/0000-0003-2191-4189 FU European Union [282846]; Office of Science of the U. S. Department of Energy as part of the Integrated Assessment Research Program FX The research described in this paper received funding from the European Union Seventh Framework Program FP7/2007-2013 under grant agreement no 282846 (LIMITS). Katherine Calvin, Marshall Wise, and Page Kyle were supported by the Office of Science of the U. S. Department of Energy as part of the Integrated Assessment Research Program. NR 29 TC 38 Z9 38 U1 6 U2 39 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2014 VL 123 IS 3-4 SI SI BP 495 EP 509 DI 10.1007/s10584-013-0926-x PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AF0OW UT WOS:000334414900011 ER PT J AU Rose, SK Richels, R Smith, S Riahi, K Strefler, J van Vuuren, DP AF Rose, Steven K. Richels, Richard Smith, Steve Riahi, Keywan Strefler, Jessica van Vuuren, Detlef P. TI Non-Kyoto radiative forcing in long-run greenhouse gas emissions and climate change scenarios SO CLIMATIC CHANGE LA English DT Article ID ENVIRONMENTAL KUZNETS CURVE; MITIGATION; POLICY AB Climate policies must consider radiative forcing from Kyoto greenhouse gases, as well as other forcing constituents, such as aerosols and tropospheric ozone that result from air pollutants. Non-Kyoto forcing constituents contribute negative, as well as positive forcing, and overall increases in total forcing result in increases in global average temperature. Non-Kyoto forcing modeling is a relatively new component of climate management scenarios. This paper describes and assesses current non-Kyoto radiative forcing modeling within five integrated assessment models. The study finds negative forcing from aerosols masking (offsetting) approximately 25 % of positive forcing in the near-term in reference non-climate policy projections. However, masking is projected to decline rapidly to 5-10 % by 2100 with increasing Kyoto emissions and assumed reductions in air pollution-with the later declining to as much as 50 % and 80 % below today's levels by 2050 and 2100 respectively. Together they imply declining importance of non-Kyoto forcing over time. There are however significant uncertainties and large differences across models in projected non-Kyoto emissions and forcing. A look into the modeling reveals differences in base conditions, relationships between Kyoto and non-Kyoto emissions, pollution control assumptions, and other fundamental modeling. In addition, under climate policy scenarios, we find air pollution and resulting non-Kyoto forcing reduced to levels below those produced by air pollution policies alone-e.g., China sulfur emissions fall an additional 45-85 % by 2050. None of the models actively manage non-Kyoto forcing for climate implications. Nonetheless, non-Kyoto forcing may be influencing mitigation results, including allowable carbon dioxide emissions, and further evaluation is merited. C1 [Rose, Steven K.; Richels, Richard] Elect Power Res Inst, Energy & Environm Anal Res Grp, Washington, DC 20036 USA. [Smith, Steve] Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD USA. [Riahi, Keywan] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. [Strefler, Jessica] Potsdam Inst Climate Impact Res, Potsdam, Germany. [van Vuuren, Detlef P.] PBL Netherlands Environm Assessment Agcy, Bilthoven, Netherlands. [van Vuuren, Detlef P.] Univ Utrecht, Dept Geosci, Copernicus Inst, Utrecht, Netherlands. RP Rose, SK (reprint author), Elect Power Res Inst, Energy & Environm Anal Res Grp, 2000 L St NW,Suite 805, Washington, DC 20036 USA. EM srose@epri.com RI van Vuuren, Detlef/A-4764-2009; Strefler, Jessica/O-7556-2015; Riahi, Keywan/B-6426-2011 OI van Vuuren, Detlef/0000-0003-0398-2831; Riahi, Keywan/0000-0001-7193-3498 NR 22 TC 8 Z9 8 U1 0 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2014 VL 123 IS 3-4 SI SI BP 511 EP 525 DI 10.1007/s10584-013-0955-5 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AF0OW UT WOS:000334414900012 ER PT J AU Chaturvedi, V Shukla, PR AF Chaturvedi, Vaibhav Shukla, Priyadarshi R. TI Role of energy efficiency in climate change mitigation policy for India: assessment of co-benefits and opportunities within an integrated assessment modeling framework SO CLIMATIC CHANGE LA English DT Article AB Addressing the challenges of global warming requires interventions on both the energy supply and demand side. With the supply side responses being thoroughly discussed in the literature, our paper focuses on analyzing the role of end use efficiency improvements for Indian climate change mitigation policy and the associated co-benefits, within the integrated assessment modeling framework of Global Change Assessment Model (GCAM). Six scenarios are analyzed here in total- one no climate policy and two climate policy cases, and within each of these one scenario with reference end use energy technology assumptions and another with advance end use energy technology assumptions has been analyzed. The paper has some important insights. Final energy demand and emissions in India are significantly reduced with energy efficiency improvements, and the role of this policy is important especially for the building and transportation sector under both reference and climate policy scenarios. Though energy efficiency policy should be an integral part of climate policy, by itself it is not sufficient for achieving mitigation targets, and a climate policy is necessary for achieving mitigation goals. There are significant co-benefits of energy efficiency improvements. Energy security for India is improved with reduced oil, coal and gas imports. Significant reduction in local pollutant gases is found which is important for local health concerns. Capital investment requirement for Indian electricity generation is reduced, more so for the climate policy scenarios, and finally there are significant savings in terms of reduced abatement cost for meeting climate change mitigation goals. C1 [Chaturvedi, Vaibhav] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Chaturvedi, Vaibhav] Univ Maryland, College Pk, MD 20742 USA. [Shukla, Priyadarshi R.] Indian Inst Management Ahmedabad, Ahmadabad, Gujarat, India. RP Chaturvedi, V (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. EM vaibhavc@iimahd.ernet.in FU Global Technology Strategy Program; Integrated Assessment Research Program in the Office of Science of the U.S. Department of Energy; DOE [DE-AC05-76RL01830] FX The authors are grateful for research support provided by the Global Technology Strategy Program. The authors acknowledge long-term support for GCAM development from the Integrated Assessment Research Program in the Office of Science of the U.S. Department of Energy. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. The views and opinions expressed in this paper are those of the authors alone. NR 44 TC 3 Z9 3 U1 3 U2 15 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2014 VL 123 IS 3-4 SI SI BP 597 EP 609 DI 10.1007/s10584-013-0898-x PG 13 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AF0OW UT WOS:000334414900018 ER PT J AU Siegel, A Smith, K Felker, K Romano, P Forget, B Beckman, P AF Siegel, A. Smith, K. Felker, K. Romano, P. Forget, B. Beckman, P. TI Improved cache performance in Monte Carlo transport calculations using energy banding SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE OpenMC; Monte Carlo; Energy banding ID PARTICLE-TRANSPORT; RADIATION; MODEL AB We present an energy banding algorithm for Monte Carlo (MC) neutral particle transport simulations which depend on large cross section lookup tables. In MC codes, read-only cross section data tables are accessed frequently, exhibit poor locality, and are typically too much large to fit in fast memory. Thus, performance is often limited by long latencies to RAM, or by off-node communication latencies when the data footprint is very large and must be decomposed on a distributed memory machine. The proposed energy banding algorithm allows maximal temporal reuse of data in band sizes that can flexibly accommodate different architectural features. The energy banding algorithm is general and has a number of benefits compared to the traditional approach. In the present analysis we explore its potential to achieve improvements in time-to-solution on modern cache-based architectures. (C) 2013 Elsevier B.V. All rights reserved. C1 [Siegel, A.] Argonne Natl Lab, Theory & Comp Sci & Nucl Engn Div, Argonne, IL 60439 USA. [Smith, K.; Romano, P.; Forget, B.] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Felker, K.; Beckman, P.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Felker, K (reprint author), Argonne Natl Lab, 9700 South Cass Ave,Bldg 240,2F8, Argonne, IL 60439 USA. EM siegela@mcs.anl.gov; kord@mit.edu; kfelker@princeton.edu; romano7@mit.edu; bforget@mit.edu; beckman@mcs.anl.gov OI Romano, Paul/0000-0002-1147-045X FU US Department of Energy, Office of Science [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, Office of Science, under Contract No. DE-AC02-06CH11357. NR 18 TC 4 Z9 4 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD APR PY 2014 VL 185 IS 4 BP 1195 EP 1199 DI 10.1016/j.cpc.2013.10.008 PG 5 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AF1NP UT WOS:000334480900001 ER PT J AU Yu, S Eom, J Zhou, YY Evans, M Clarke, L AF Yu, Sha Eom, Jiyong Zhou, Yuyu Evans, Meredydd Clarke, Leon TI Scenarios of building energy demand for China with a detailed regional representation SO ENERGY LA English DT Article DE China; Building energy use; Integrated assessment; Downscaled analysis; Climate change ID CLIMATE-CHANGE; RESIDENTIAL BUILDINGS; RURAL CHINA; CONSUMPTION; COUNTY; PROVINCE; SECTOR; AREAS; MODEL AB Building energy consumption currently accounts for 28% of China's total energy use and is expected to continue to grow induced by floorspace expansion, income growth, and population change. Fuel sources and building services are also evolving over time as well as across regions and building types. To understand sectoral and regional difference in building energy use and how socioeconomic, physical, and technological development influence the evolution of the Chinese building sector, this study developed a building energy use model for China downscaled into four climate regions under an integrated assessment framework. Three building types (rural residential, urban residential, and commercial) were modeled specifically in each climate region. Our study finds that the Cold and Hot Summer Cold Winter regions lead in total building energy use. The impact of climate change on heating energy use is more significant than that of cooling energy use in most climate regions. Both rural and urban households will experience fuel switch from fossil fuel to cleaner fuels. Commercial buildings will experience rapid growth in electrification and energy intensity. Improved understanding of Chinese buildings with climate change highlighted in this study will help policy makers develop targeted policies and prioritize building energy efficiency measures. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Yu, Sha; Zhou, Yuyu; Evans, Meredydd; Clarke, Leon] Pacific NW Natl Lab, College Pk, MD 20740 USA. [Eom, Jiyong] Korea Adv Inst Sci & Technol, Sch Business, Grad Sch Green Growth, Seoul 130722, South Korea. RP Yu, S (reprint author), Pacific NW Natl Lab, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM sha.yu@pnnl.gov RI Eom, Jiyong/A-1161-2014 FU Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy; Global Technology Strategy Program; U.S. Department of Energy by the Battelle Memorial Institute [DE-AC05-76RL01830] FX The authors are grateful for research support provided by the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy and the Global Technology Strategy Program. The authors acknowledge long-term support for GCAM development from the Integrated Assessment Research Program in the Office of Science of the U.S. Department of Energy. The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by the Battelle Memorial Institute under contract DE-AC05-76RL01830. The views and opinions expressed in this paper are those of the authors alone. NR 74 TC 14 Z9 14 U1 5 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 EI 1873-6785 J9 ENERGY JI Energy PD APR 1 PY 2014 VL 67 BP 284 EP 297 DI 10.1016/j.energy.2013.12.072 PG 14 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA AE7BN UT WOS:000334151800026 ER PT J AU Shrestha, SS Biswas, K Desjarlais, AO AF Shrestha, Som S. Biswas, Kaushik Desjarlais, Andre O. TI A protocol for lifetime energy and environmental impact assessment of building insulation materials SO ENVIRONMENTAL IMPACT ASSESSMENT REVIEW LA English DT Article DE Life cycle assessment (LCA); Environmental impact; Building insulation materials; Energy; Buildings ID EMBODIED ENERGY; ASSESSMENT TOOLS; CYCLE; PERFORMANCE; EMISSIONS; COST; NEED AB This article describes a proposed protocol that is intended to provide a comprehensive list of factors to be considered in evaluating the direct and indirect environmental impacts of building insulation materials, as well as detailed descriptions of standardized calculation methodologies to determine those impacts. The energy and environmental impacts of insulation materials can generally be divided into two categories: (1) direct impact due to the embodied energy of the insulation materials and other factors and (2) indirect or environmental impacts avoided as a result of reduced building energy use due to addition of insulation. Standards and product category rules exist, which provide guidelines about the life cycle assessment (LCA) of materials, including building insulation products. However, critical reviews have suggested that these standards fail to provide complete guidance to LCA studies and suffer from ambiguities regarding the determination of the environmental impacts of building insulation and other products. The focus of the assessment protocol described here is to identify all factors that contribute to the total energy and environmental impacts of different building insulation products and, more importantly, provide standardized determination methods that will allow comparison of different insulation material types. Further, the intent is not to replace current LCA standards but to provide a well-defined, easy-to-use comparison method for insulation materials using existing LCA guidelines. (C) 2014 Elsevier Inc. All rights reserved. C1 [Shrestha, Som S.; Biswas, Kaushik; Desjarlais, Andre O.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Shrestha, SS (reprint author), 1 Bethel Valley Rd,Bldg 3147,POB 2008,MS-6070, Oak Ridge, TN 37831 USA. EM shresthass@ornl.gov OI Shrestha, Som/0000-0001-8399-3797; Biswas, Kaushik/0000-0002-4177-6230 NR 40 TC 11 Z9 11 U1 2 U2 14 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0195-9255 EI 1873-6432 J9 ENVIRON IMPACT ASSES JI Environ. Impact Assess. Rev. PD APR PY 2014 VL 46 BP 25 EP 31 DI 10.1016/j.eiar.2014.01.002 PG 7 WC Environmental Studies SC Environmental Sciences & Ecology GA AF6JV UT WOS:000334822300003 ER PT J AU Kim, H Huo, XM Shilling, M Tran, HD AF Kim, Heeyoung Huo, Xiaoming Shilling, Meghan Tran, Hy D. TI A Lipschitz Regularity-Based Statistical Model With Applications in Coordinate Metrology SO IEEE TRANSACTIONS ON AUTOMATION SCIENCE AND ENGINEERING LA English DT Article DE Coordinate measuring machine; wavelets; Lipschitz conditions ID COMPUTATIONAL GEOMETRIC TECHNIQUES; FORM ERROR; MEASURING MACHINES; ZONE; SURFACES; WAVELETS; FEATURES; PARTS AB In dimensional inspection using coordinate measuring machines (CMMs), the following issues are critical to achieve accurate inspection while minimizing the cost and time: 1) How can we select the sampling positions of the measurements so that we can get as much information from a limited number of samples as possible and 2) given the limited number of measurements, how can we assess the form error so that one can reliably decide whether the product is acceptable? To address these problems, we propose a wavelet-based model that takes advantage of the fact that the Lipschitz regularity holds for the CMM data. Under the framework of the proposed model, we derive the optimal sampling positions and propose a systematic procedure to estimate the form error given the limited number of sampled points. The proposed method is validated using both synthetic and real CMM data sets for straightness measurements. The comparison with other existing methods demonstrates the effectiveness of our method. C1 [Kim, Heeyoung] AT&T Labs, Florham Pk, NJ 07932 USA. [Huo, Xiaoming] Georgia Inst Technol, Sch Ind & Syst Engn, Atlanta, GA 30332 USA. [Shilling, Meghan; Tran, Hy D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kim, H (reprint author), AT&T Labs, Florham Pk, NJ 07932 USA. EM heeyoung@research.att.com; xiaoming@isye.gatech.edu; kmshill@sandia.gov; hdtran@sandia.gov RI Kim, Heeyoung/O-1769-2013 FU National Science Foundation of the United States; Laboratory Directed Research and Development Programat Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000.] FX This work was supported in part by the National Science Foundation of the United States and by the Laboratory Directed Research and Development Programat Sandia National Laboratories. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 37 TC 0 Z9 0 U1 2 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1545-5955 EI 1558-3783 J9 IEEE T AUTOM SCI ENG JI IEEE Trans. Autom. Sci. Eng. PD APR PY 2014 VL 11 IS 2 BP 327 EP 337 DI 10.1109/TASE.2013.2255273 PG 11 WC Automation & Control Systems SC Automation & Control Systems GA AF5GA UT WOS:000334740800001 ER PT J AU Kim, Y Lee, J Oral, S Dillow, DA Wang, FY Shipman, GM AF Kim, Youngjae Lee, Junghee Oral, Sarp Dillow, David A. Wang, Feiyi Shipman, Galen M. TI Coordinating Garbage Collection for Arrays of Solid-State Drives SO IEEE TRANSACTIONS ON COMPUTERS LA English DT Article DE Storage systems; solid-state drives; flash memory; garbage collection; redundant array of inexpensive disks ID FLASH; DESIGN AB Although solid-state drives (SSDs) offer significant performance improvements over hard disk drives (HDDs) for a number of workloads, they can exhibit substantial variance in request latency and throughput as a result of garbage collection (GC). When GC conflicts with an I/O stream, the stream can make no forward progress until the GC cycle completes. GC cycles are scheduled by logic internal to the SSD based on several factors such as the pattern, frequency, and volume of write requests. When SSDs are used in a RAID with currently available technology, the lack of coordination of the SSD-local GC cycles amplifies this performance variance. We propose a global garbage collection (GGC) mechanism to improve response times and reduce performance variability for a RAID of SSDs. We include a high-level design of SSD-aware RAID controller and GGC-capable SSD devices and algorithms to coordinate the GGC cycles. We develop reactive and proactive GC coordination algorithms and evaluate their I/O performance and block erase counts for various workloads. Our simulations show that GC coordination by a reactive scheme improves average response time and reduces performance variability for a wide variety of enterprise workloads. For bursty, write-dominated workloads, response time was improved by 69 percent and performance variability was reduced by 71 percent. We show that a proactive GC coordination algorithm can further improve the I/O response times by up to 9 percent and the performance variability by up to 15 percent. We also observe that it could increase the lifetimes of SSDs with some workloads (e. g., Financial) by reducing the number of block erase counts by up to 79 percent relative to a reactive algorithm for write-dominant enterprise workloads. C1 [Kim, Youngjae; Oral, Sarp; Dillow, David A.; Wang, Feiyi; Shipman, Galen M.] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. [Lee, Junghee] Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA. RP Kim, Y (reprint author), Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. EM kimy1@ornl.gov; jlee36@ece.gatech.edu; oralhs@ornl.gov; dillowda@ornl.gov; fwang2@ornl.gov; gshipman@ornl.gov FU Office of Science of the Department of Energy [DE-AC05-00OR22725] FX The authors would like to specially thank Doug Reitz for his detailed comments and proof-reading which helped us improve the quality of this paper. This research used resources of the Oak Ridge Leadership Computing Facility, located in the National Center for Computational Sciences at Oak Ridge National Laboratory, which was supported by the Office of Science of the Department of Energy under Contract DE-AC05-00OR22725. NR 44 TC 5 Z9 5 U1 0 U2 6 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9340 EI 1557-9956 J9 IEEE T COMPUT JI IEEE Trans. Comput. PD APR PY 2014 VL 63 IS 4 BP 888 EP 901 DI 10.1109/TC.2012.256 PG 14 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA AD7UN UT WOS:000333472500008 ER PT J AU Jing, Y Timoshkin, IV Wilson, MP Given, MJ MacGregor, SJ Wang, T Lehr, JM AF Jing, Yi Timoshkin, Igor V. Wilson, Mark P. Given, Martin J. MacGregor, Scott J. Wang, Tao Lehr, Jane M. TI Dielectric Properties of Natural Ester, Synthetic Ester Midel 7131 and Mineral Oil Diala D SO IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION LA English DT Article DE Liquid dielectrics; breakdown; conduction ID TRANSFORMER OIL; POWER TRANSFORMERS; BREAKDOWN; FIELD; TEMPERATURE; MECHANISMS; LIQUID; FLUID AB The insulating liquids used in industrial applications are typically mineral oils. In recent years however, significant attention has been paid to alternative insulating fluids, including synthetic and natural ester liquids. In order to expand their practical applications, it is important to have detailed information on their dielectric properties. In this present paper, the dielectric properties of synthetic ester, Midel 7131; mineral oil, Shell Diala D; and vegetable (rapeseed) oil have been investigated. It has been shown that Midel 7131 has a higher ac breakdown voltage (27.6 kV) as compared with Diala D oil (26.4 kV) and rapeseed oil (24.6 kV). However, the breakdown voltage of the Diala D oil has the smallest standard deviation (7%) amongst the tested liquids (13% for Midel 7131 and 11% for rapeseed oil). Statistical analysis of the breakdown voltages has been conducted and it has been shown that the ac breakdown voltages can be described by a normal distribution. dc I-V characteristics have been measured and the space charge saturation regime has been observed for all three liquids starting from similar to 9 kV for positive energisation and similar to 10 kV for negative energisation in the point-plane topology. Apparent mobilities of the charge carriers in the tested liquids have been obtained using I-1/2-V curves; these mobilities can be used for calculation of the space charge influenced distribution of the electric field in liquid insulators stressed with dc voltage. Such analysis can be important for design and exploitation of HVDC power systems. C1 [Jing, Yi; Timoshkin, Igor V.; Wilson, Mark P.; Given, Martin J.; MacGregor, Scott J.; Wang, Tao] Univ Strathclyde, Dept Elect & Elect Engn, Glasgow G1 1XW, Lanark, Scotland. [Lehr, Jane M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Jing, Y (reprint author), Univ Strathclyde, Dept Elect & Elect Engn, 204 George St, Glasgow G1 1XW, Lanark, Scotland. OI Given, Martin/0000-0002-6354-2486; Wilson, Mark/0000-0003-3088-8541 NR 40 TC 7 Z9 7 U1 2 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1070-9878 EI 1558-4135 J9 IEEE T DIELECT EL IN JI IEEE Trns. Dielectr. Electr. Insul. PD APR PY 2014 VL 21 IS 2 BP 644 EP 652 DI 10.1109/TDEI.2013.003917 PG 9 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AF4JU UT WOS:000334678900028 ER PT J AU Afzal, W Liu, XY Prausnitz, JM AF Afzal, Waheed Liu, Xiangyang Prausnitz, John M. TI High Solubilities of Carbon Dioxide in Tetraalkyl Phosphonium-Based Ionic Liquids and the Effect of Diluents on Viscosity and Solubility SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID GASES; CAPTURE; WATER AB Experimental solubilities are reported for carbon dioxide in four ionic liquids: trihexyl tetradecylphosphonium bis(2,4,4-trimethylpentyl) phosphinate [P(14)666][TMPP], tetrabutylphosphonium bis(2,4,4-trimethylpentyl) phosphinate [P4444][TMPP], trimethyloctylphosphonium bis(2,4,4-trimethylpentyl) phosphinate [P8111] [TMPP], and trihexyl tetradecylphosphonium dicyanamide [P(14)666][DCA] from 298 K to 334 K up to 4 MPa. Tetraalkyl phosphonium bis(2,4,4-trimethylpentyl) phosphinate ionic liquids show solubilities for carbon dioxide higher than those in other ionic liquids. In these phosphonium-based ionic liquids, the anion appears to have a larger influence on carbon-dioxide solubility than the cation. Water or 1-butyl-3-H-imidazolium acetate ([BHMIM][AC]) are used as diluents to reduce the large viscosity of [P(14)666][TMPP]. Viscosities are reported for mixtures of [P(14)666][TMPP] with varying content of water or [BHMIM][AC] from 298 K to 343 K at atmospheric pressure. Solubilities for carbon dioxide are reported in mixtures of [P(14)666][TMPP] with varying content of water or [BHMIM][AC] from 298 K to 323 K up to 4 MPa. These diluents very much reduce the viscosity. The addition of [BHMIM][AC] does not seriously lower the solubility of carbon dioxide. C1 [Afzal, Waheed; Liu, Xiangyang; Prausnitz, John M.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Afzal, Waheed; Prausnitz, John M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Liu, Xiangyang] Xi An Jiao Tong Univ, MOE Key Lab Thermofluid Sci & Engn, Xian 710049, Shaanxi, Peoples R China. [Afzal, Waheed] Univ Punjab, Inst Chem Engn & Technol, Lahore 54590, Pakistan. RP Prausnitz, JM (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM prausnit@cchem.berkeley.edu OI Afzal, Waheed/0000-0002-2927-0114 FU Environmental Energy Technologies Division of the Lawrence Berkeley National Laboratory FX The authors are grateful to the Environmental Energy Technologies Division of the Lawrence Berkeley National Laboratory for financial support. NR 18 TC 10 Z9 10 U1 2 U2 37 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD APR PY 2014 VL 59 IS 4 BP 954 EP 960 DI 10.1021/je400655j PG 7 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA AF2VY UT WOS:000334571800003 ER PT J AU Agarwal, N Ho, S Myers, AD Seo, HJ Ross, AJ Bahcall, N Brinkmann, J Eisenstein, DJ Muna, D Palanque-Delabrouille, N Paris, I Petitjean, P Schneider, DP Streblyanska, A Weaver, BA Yeche, C AF Agarwal, Nishant Ho, Shirley Myers, Adam D. Seo, Hee-Jong Ross, Ashley J. Bahcall, Neta Brinkmann, Jonathan Eisenstein, Daniel J. Muna, Demitri Palanque-Delabrouille, Nathalie Paris, Isabelle Petitjean, Patrick Schneider, Donald P. Streblyanska, Alina Weaver, Benjamin A. Yeche, Christophe TI Characterizing unknown systematics in large scale structure surveys SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE power spectrum; redshift surveys; cosmological parameters from LSS; galaxy surveys ID DIGITAL SKY SURVEY; PRIMORDIAL NON-GAUSSIANITY; WEAK-LENSING SURVEYS; MICROWAVE BACKGROUND ANISOTROPIES; OSCILLATION SPECTROSCOPIC SURVEY; GALAXY POWER SPECTRUM; SDSS-III; DATA RELEASE; BARYON OSCILLATIONS; REDSHIFT SURVEYS AB Photometric large scale structure (LSS) surveys probe the largest volumes in the Universe, but are inevitably limited by systematic uncertainties. Imperfect photometric calibration leads to biases in our measurements of the density fields of LSS tracers such as galaxies and quasars, and as a result in cosmological parameter estimation. Earlier studies have proposed using cross-correlations between different redshift slices or cross-correlations between different surveys to reduce the effects of such systematics. In this paper we develop a method to characterize unknown systematics. We demonstrate that while we do not have sufficient information to correct for unknown systematics in the data, we can obtain an estimate of their magnitude. We define a parameter to estimate contamination from unknown systematics using cross-correlations between different redshift slices and propose discarding bins in the angular power spectrum that lie outside a certain contamination tolerance level. We show that this method improves estimates of the bias using simulated data and further apply it to photometric luminous red galaxies in the Sloan Digital Sky Survey as a case study. C1 [Agarwal, Nishant; Ho, Shirley] Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Myers, Adam D.] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. [Seo, Hee-Jong] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, LBL, Berkeley, CA 94720 USA. [Seo, Hee-Jong] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ross, Ashley J.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Bahcall, Neta] Princeton Univ Observ, Princeton, NJ 08544 USA. [Brinkmann, Jonathan] Apache Point Observ, Sunspot, NM 88349 USA. [Eisenstein, Daniel J.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Muna, Demitri] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Palanque-Delabrouille, Nathalie; Yeche, Christophe] CEA, Ctr Saclay, Irfu SPP, F-91191 Gif Sur Yvette, France. [Paris, Isabelle] Univ Chile, Dept Astron, Santiago, Chile. [Petitjean, Patrick] Univ Paris 06, F-75014 Paris, France. [Petitjean, Patrick] CNRS, Inst Astrophys Paris, F-75014 Paris, France. [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. [Streblyanska, Alina] IAC, E-38200 Tenerife, Spain. [Streblyanska, Alina] ULL, Dept Astrofis, E-38200 Tenerife, Spain. [Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. RP Agarwal, N (reprint author), Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. EM nishanta@andrew.cmu.edu RI Ho, Shirley/P-3682-2014 OI Ho, Shirley/0000-0002-1068-160X FU McWilliams fellowship of the Bruce; Astrid McWilliams Center for Cosmology; New Frontiers in Astronomy and Cosmology program at the John Templeton Foundation; Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy Office of Science FX It is a pleasure to thank Dragan Huterer and AnZe Slosar for many useful comments on this paper. We also thank Rachel Mandelbaum, Hiranya Peiris, Anthony Pullen, and Uros Seljak for helpful discussions. N. A. is supported by the McWilliams fellowship of the Bruce and Astrid McWilliams Center for Cosmology. N. A. also acknowledges support by the New Frontiers in Astronomy and Cosmology program at the John Templeton Foundation.; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy Office of Science. The SDSS-III web site is http://www.sdss3.org/. NR 74 TC 6 Z9 6 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD APR PY 2014 IS 4 AR 007 DI 10.1088/1475-7516/2014/04/007 PG 24 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AF1TK UT WOS:000334496500007 ER PT J AU Blazek, J Seljak, U Vlah, Z Okumura, T AF Blazek, Jonathan Seljak, Uros Vlah, Zvonimir Okumura, Teppei TI Geometric and dynamic distortions in anisotropic galaxy clustering SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE galaxy clustering; power spectrum; redshift surveys; baryon acoustic oscillations ID BARYON ACOUSTIC-OSCILLATIONS; REDSHIFT-SPACE DISTORTIONS; LUMINOUS RED GALAXIES; LARGE-SCALE STRUCTURE; DIGITAL SKY SURVEY; DARK ENERGY; COSMOLOGICAL CONSTANT; POWER SPECTRUM; EXPANSION RATE; DISTANCE AB We examine the signature of dynamic (redshift-space) distortions and geometric distortions (including the Alcock-Paczynski effect) in the context of the galaxy power spectrum measured in upcoming galaxy redshift surveys. Information comes from both the baryon acoustic oscillation (BAO) feature and the broad band power spectrum shape. Accurate modeling is required to extract this information without systematically biasing the result. We consider an analytic model for the power spectrum of dark matter halos in redshift space, based on the distribution function expansion, and compare with halo clustering measured in N-body simulations. We forecast that the distribution function model is sufficiently accurate to allow the inclusion of broad band information on scales down to k similar to 0.2h Mpc(-1), with somewhat better accuracy for higher bias halos. Compared with a BAO-only analysis with reconstruction, including broadband shape information can improve unbiased constraints on distance measures H(z) and DA(z) by similar to 30% and 20%, respectively, for a galaxy sample similar to the DESI luminous red galaxies. The gains in precision are larger in the absence of BAO reconstruction. Furthermore, including broadband shape information allows the measurement of structure growth, through redshift-space distortions. For the same galaxy sample, the distribution function model is able to constrain f sigma(8) to similar to 2%, when simultaneously fitting for H(z) and D-A(Z). We discuss techniques to optimize the analysis of the power spectrum, including removing modes near the line-of-sight that are particularly challenging to model, and whether these approaches can improve parameter constraints. We find that such techniques are unlikely to significantly improve constraints on geometry, although they may allow higher precision measurements of redshift-space distortions. C1 [Blazek, Jonathan; Seljak, Uros] Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA. [Blazek, Jonathan; Seljak, Uros] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Blazek, Jonathan] Ohio State Univ, Ctr Cosmol & AstroParticle Phy, Columbus, OH 43210 USA. [Seljak, Uros; Vlah, Zvonimir] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Seljak, Uros; Okumura, Teppei] Ewha Womans Univ, Inst Early Universe, Seoul 120750, South Korea. RP Blazek, J (reprint author), Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA. EM blazek@berkeley.edu; useljak@berkeley.edu; zvlah@physik.uzh.ch; teppei.okumura@ipmu.jp FU DOE; Swiss National Foundation [200021-116696/1]; WCU grant [R32-10130]; Ewha University research fund [1-2008-2935-001-2] FX We thank Beth Reid, Hee-Jong Seo, Florian Beutler, Chris Hirata, and David Weinberg for useful discussions. We also thank an anonymous referee for helpful suggestions. J.B. appreciates the hospitality of the Institute for Theoretical Physics at the University of Zurich, where part of this work was done. This work is supported by the DOE, the Swiss National Foundation under contract 200021-116696/1, WCU grant R32-10130, and Ewha University research fund 1-2008-2935-001-2. NR 67 TC 7 Z9 7 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD APR PY 2014 IS 4 AR 001 DI 10.1088/1475-7516/2014/04/001 PG 34 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AF1TK UT WOS:000334496500001 ER PT J AU Das, S Louis, T Nolta, MR Addison, GE Battistelli, ES Bond, JR Calabrese, E Crichton, D Devlin, MJ Dicker, S Dunkley, J Dunner, R Fowler, JW Gralla, M Hajian, A Halpern, M Hasselfield, M Hilton, M Hincks, AD Hlozek, R Huffenberger, KM Hughes, JP Irwin, KD Kosowsky, A Lupton, RH Marriage, TA Marsden, D Menanteau, F Moodley, K Niemack, MD Page, LA Partridge, B Reese, ED Schmitt, BL Sehgal, N Sherwin, BD Sievers, JL Spergel, DN Staggs, ST Swetz, DS Switzer, ER Thornton, R Trac, H Wollack, E AF Das, Sudeep Louis, Thibaut Nolta, Michael R. Addison, Graeme E. Battistelli, Elia S. Bond, J. Richard Calabrese, Erminia Crichton, Devin Devlin, Mark J. Dicker, Simon Dunkley, Joanna Duenner, Rolando Fowler, Joseph W. Gralla, Megan Hajian, Amir Halpern, Mark Hasselfield, Matthew Hilton, Matt Hincks, Adam D. Hlozek, Renee Huffenberger, Kevin M. Hughes, John P. Irwin, Kent D. Kosowsky, Arthur Lupton, Robert H. Marriage, Tobias A. Marsden, Danica Menanteau, Felipe Moodley, Kavilan Niemack, Michael D. Page, Lyman A. Partridge, Bruce Reese, Erik D. Schmitt, Benjamin L. Sehgal, Neelima Sherwin, Blake D. Sievers, Jonathan L. Spergel, David N. Staggs, Suzanne T. Swetz, Daniel S. Switzer, Eric R. Thornton, Robert Trac, Hy Wollack, Ed TI The Atacama Cosmology Telescope: temperature and gravitational lensing power spectrum measurements from three seasons of data SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE CMBR experiments; gravitational lensing; Sunyaev-Zeldovich effect; CMBR theory ID SOUTH-POLE TELESCOPE; MICROWAVE BACKGROUND ANISOTROPIES; DAMPING TAIL; 148 GHZ; MAPS; CONSTRAINTS; PARAMETERS; SCALE; FIELD; QUAD AB We present the temperature power spectra. of the cosmic microwave background (CMD) derived from the three seasons of data from the Atacama Cosmology Telescope (ACT) at 148 Ealiz and 218 GHz as well as the (Toss-frequency spectrum between the two channels. We detect and correct. for contamination due to the Galactic cirrus in our equatorial maps. We present the results of a number of tests for possible systematic error and conclude that any effects are not significant compared to the statistical errors we quote. Where they overlap we cross-correlate the ACT and the South Pole Telescope (APT) maps and show they are consistent. The measurements of higher-order peaks in the CMB power spectrum provide an additional test of the ACDM cosmological model, and help constrain extensions beyond the standard model. The small angular scale power sped rum also provides constraining power on the Sunyaev-Zel'clovich effects and extragalactic foregrounds. We also present a measurement of the CMB gravitational lensing convergence power spectrum at 4.6 sigma detection significance. C1 [Das, Sudeep] Argonne Natl Lab, Lemont, IL 60439 USA. [Das, Sudeep] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, LBL, Berkeley, CA 94720 USA. [Das, Sudeep] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Louis, Thibaut; Addison, Graeme E.; Calabrese, Erminia; Dunkley, Joanna] Univ Oxford, Sub Dept Astrophys, Oxford OX1 3RH, England. [Nolta, Michael R.; Bond, J. Richard; Hajian, Amir; Hincks, Adam D.; Sievers, Jonathan L.; Switzer, Eric R.] Univ Toronto, Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Addison, Graeme E.; Battistelli, Elia S.; Halpern, Mark; Hasselfield, Matthew] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z4, Canada. [Battistelli, Elia S.] Univ Roma La Sapienza, Dept Phys, I-00185 Rome, Italy. [Crichton, Devin; Gralla, Megan; Marriage, Tobias A.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Devlin, Mark J.; Dicker, Simon; Marsden, Danica; Reese, Erik D.; Schmitt, Benjamin L.; Thornton, Robert] Univ Penn, Dept Astron & Astrophys, Philadelphia, PA 19104 USA. [Duenner, Rolando] Pontificia Univ Catolica Chile, Fac Fis, Dept Astron & Astrofis, Santiago 22, Chile. [Fowler, Joseph W.; Niemack, Michael D.; Swetz, Daniel S.] NIST, Quantum Devices Grp, Boulder, CO 80305 USA. [Fowler, Joseph W.; Niemack, Michael D.; Page, Lyman A.; Sherwin, Blake D.; Sievers, Jonathan L.; Staggs, Suzanne T.] Princeton Univ, Joseph Henry Labs Phys, Princeton, NJ 08544 USA. [Hasselfield, Matthew; Hlozek, Renee; Marriage, Tobias A.; Spergel, David N.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Hilton, Matt] Univ Nottingham, Sch Phys & Astron, Ctr Astron & Particle Theory, Nottingham NG7 2RD, England. [Hilton, Matt; Moodley, Kavilan] Univ KwaZulu Natal, Sch Math Stat & Comp Sci, Astrophys & Cosmol Res Unit, ZA-4041 Durban, South Africa. [Huffenberger, Kevin M.] Univ Miami, Dept Phys, Coral Gables, FL 33124 USA. [Hughes, John P.; Menanteau, Felipe] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Kosowsky, Arthur] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Marsden, Danica] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Niemack, Michael D.] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Partridge, Bruce] Haverford Coll, Dept Phys & Astron, Haverford, PA 19041 USA. [Sehgal, Neelima] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Thornton, Robert] West Chester Univ Pennsylvania, Dept Phys, W Chester, PA 19383 USA. [Trac, Hy] Carnegie Mellon Univ, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Wollack, Ed] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Das, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. EM sudeepphys@gmail.com RI Trac, Hy/N-8838-2014; Wollack, Edward/D-4467-2012; OI Trac, Hy/0000-0001-6778-3861; Wollack, Edward/0000-0002-7567-4451; Huffenberger, Kevin/0000-0001-7109-0099; Menanteau, Felipe/0000-0002-1372-2534; Sievers, Jonathan/0000-0001-6903-5074 FU U.S. National Science Foundation [AST-0408698, AST-0965625]; ACT project [PHY-0855887, PHY-1214379]; Princeton University; University of Pennsylvania; Canada Foundation for Innovation (CFI) award; Comision Nacional de Investigacion Cientifica y Tecnologica de Chile (CONICYT); CFI; Compute Canada; Government of Ontario; Ontario Research Fund - Research Excellence; University of Toronto; David Schramm Fellowship at Argonne National Laboratory; Berkeley Center for Cosmological Physics fellowship; FONDECYT grant; BASAL grant FX This work was supported by the U.S. National Science Foundation through awards AST-0408698 and AST-0965625 for the ACT project, as well as awards PHY-0855887 and PHY-1214379. Funding was also provided by Princeton University, the University of Pennsylvania, and a Canada Foundation for Innovation (CFI) award to ITBC. ACT operates in the Parque Astronomico Atacama in northern Chile under the auspices of the Comision Nacional de Investigacion Cientifica y Tecnologica de Chile (CONICYT). Computations were performed on the GPC supercomputer at the SciNet HPC Consortium. SciNet is funded by the CFI under the auspices of Compute Canada, the Government of Ontario, the Ontario Research Fund - Research Excellence; and the University of Toronto. SD acknowledges support from the David Schramm Fellowship at Argonne National Laboratory and the Berkeley Center for Cosmological Physics fellowship. RD acknowledges support from FONDECYT and BASAL grants. NR 47 TC 111 Z9 111 U1 0 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD APR PY 2014 IS 4 AR 014 DI 10.1088/1475-7516/2014/04/014 PG 36 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AF1TK UT WOS:000334496500014 ER PT J AU Doll, CG Sorensen, CM Bowyer, TW Friese, JI Hayes, JC Hoffmann, E Kephart, R AF Doll, Charles G. Sorensen, Christina M. Bowyer, Theodore W. Friese, Judah I. Hayes, James C. Hoffmann, Emmy Kephart, Rosara TI Abatement of xenon and iodine emissions from medical isotope production facilities SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Review DE Medical isotope production; Iodine; Xenon-133; Noble gas; Molybdenum-99; Abatement ID ACTIVATED CARBON; CRYOGENIC DISTILLATION; RADIOXENON RELEASES; CHEMICAL ACTIVATION; NUCLEAR-EXPLOSIONS; ORGANIC IODIDES; ADSORPTION; REMOVAL; XE-133; CHEMISTRY AB The capability of the International Monitoring System (IMS) to detect xenon from underground nuclear explosions is dependent on the radioactive xenon background. Adding to the background, medical isotope production (MIP) by fission releases several important xenon isotopes including xenon-133 and iodine-133 that decays to xenon-133. The amount of xenon released from these facilities may be equivalent to or exceed that released from an underground nuclear explosion. Thus the release of gaseous fission products within days of irradiation makes it difficult to distinguish MIP emissions from a nuclear explosion. In addition, recent shortages in molybdenum-99 have created interest and investment opportunities to design and build new MIP facilities in the United States and throughout the world. Due to the potential increase in the number of MIP facilities, a discussion of abatement technologies provides insight into how the problem of emission control from MIP facilities can be tackled. A review of practices is provided to delineate methods useful for abatement of medical isotopes. Published by Elsevier Ltd. C1 [Doll, Charles G.; Sorensen, Christina M.; Bowyer, Theodore W.; Friese, Judah I.; Hayes, James C.; Kephart, Rosara] Pacific NW Natl Lab, Richland, WA 99354 USA. [Hoffmann, Emmy] Australian Nucl Sci & Technol Org, Menai, NSW 2234, Australia. RP Doll, CG (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM charles.doll@pnnl.gov NR 89 TC 2 Z9 2 U1 1 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD APR PY 2014 VL 130 BP 33 EP 43 DI 10.1016/j.jenvrad.2013.12.006 PG 11 WC Environmental Sciences SC Environmental Sciences & Ecology GA AF1OY UT WOS:000334484400005 PM 24418952 ER PT J AU Sevanto, S AF Sevanto, Sanna TI Phloem transport and drought SO JOURNAL OF EXPERIMENTAL BOTANY LA English DT Review DE Carbohydrate transport; carbon starvation; hydraulic failure; Mnch flow; semi-permeable conduit; tree mortality ID INDUCED TREE MORTALITY; PRESSURE-FLOW HYPOTHESIS; LONG-DISTANCE TRANSPORT; STOMATAL CLOSURE; VEGETATION MORTALITY; CARBON LIMITATION; WATER RELATIONS; SINK REGULATION; XYLEM EMBOLISM; GAS-EXCHANGE AB Close hydraulic connection between the xylem and the phloem challenges phloem transport during drought. Current theories suggest that the cause of phloem transport failure during drought depends on the hydraulic permeability of phloem conduit walls.Drought challenges plant water uptake and the vascular system. In the xylem it causes embolism that impairs water transport from the soil to the leaves and, if uncontrolled, may even lead to plant mortality via hydraulic failure. What happens in the phloem, however, is less clear because measuring phloem transport is still a significant challenge to plant science. In all vascular plants, phloem and xylem tissues are located next to each other, and there is clear evidence that these tissues exchange water. Therefore, drought should also lead to water shortage in the phloem. In this review, theories used in phloem transport models have been applied to drought conditions, with the goal of shedding light on how phloem transport failure might occur. The review revealed that phloem failure could occur either because of viscosity build-up at the source sites or by a failure to maintain phloem water status and cell turgor. Which one of these dominates depends on the hydraulic permeability of phloem conduit walls. Impermeable walls will lead to viscosity build-up affecting flow rates, while permeable walls make the plant more susceptible to phloem turgor failure. Current empirical evidence suggests that phloem failure resulting from phloem turgor collapse is the more likely mechanism at least in relatively isohydric plants. C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Sevanto, S (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Bikini Atoll Rd MS J495, Los Alamos, NM 87545 USA. EM sanna@lanl.gov FU LANL-LDRD grant FX The author wants to thank Dr Matthew Thompson for informative and interesting discussions on the topic as well as Drs Nate McDowell and Chonggang Xu for comments on the manuscript. This work was supported by a LANL-LDRD grant. NR 73 TC 28 Z9 29 U1 7 U2 101 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0022-0957 EI 1460-2431 J9 J EXP BOT JI J. Exp. Bot. PD APR PY 2014 VL 65 IS 7 SI SI BP 1751 EP 1759 DI 10.1093/jxb/ert467 PG 9 WC Plant Sciences SC Plant Sciences GA AF7TL UT WOS:000334917600007 PM 24431155 ER PT J AU Madrid, PJ Sulsky, D Lebensohn, RA AF Madrid, Pedro J. Sulsky, Deborah Lebensohn, Ricardo A. TI Uncertainty Quantification in Prediction of the In-Plane Young's Modulus of Thin Films With Fiber Texture SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Crystallographic texture; experimental uncertainties; fiber texture; Hill average; in-plane Young's modulus; MEMS; Reuss; Voigt ID NONLINEAR COMPOSITES AB Electrodeposited thin films in MEMS devices often show fiber texture resulting in transverse isotropic, effective elastic properties. It is of interest to predict these elastic properties since they play a role in device performance. In addition to predicting effective material properties of the devices, we quantify the uncertainty in our predictions of these material properties for use in downstream simulations aimed at studies of performance, lifetime, or reliability. In this paper, we estimate the numerical value of the effective in-plane Young's modulus of thin nickel polycrystalline films using numerical simulation. We also examine the variability and sensitivity of the in-plane Young's modulus due to uncertainties in microstructure geometry, crystallographic texture, and numerical values of single-crystal elastic constants. The importance of accurate characterization of the texture is shown, as is the sensitivity of the effective in-plane Young's modulus to single-crystal elastic moduli. [2013-0118] C1 [Madrid, Pedro J.; Sulsky, Deborah] Univ New Mexico, Dept Math & Stat, Albuquerque, NM 87131 USA. [Lebensohn, Ricardo A.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. RP Madrid, PJ (reprint author), Univ New Mexico, Dept Math & Stat, Albuquerque, NM 87131 USA. EM pjmadrid@math.unm.edu; sulsky@math.unm.edu; lebenso@lanl.gov RI Lebensohn, Ricardo/A-2494-2008 OI Lebensohn, Ricardo/0000-0002-3152-9105 FU NNSA Center for the 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 NNSA Center for the Prediction of Reliability, Integrity, and Survivability of Microsystems and in part by the U.S. Department of Energy under Award DE-FC52-08NA28617. Subject Editor S. M. Spearing. NR 21 TC 1 Z9 1 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 EI 1941-0158 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD APR PY 2014 VL 23 IS 2 BP 380 EP 390 DI 10.1109/JMEMS.2013.2279500 PG 11 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA AF2EU UT WOS:000334526200015 ER PT J AU Montagnat, M Castelnau, O Bons, PD Faria, SH Gagliardini, O Gillet-Chaulet, F Grennerat, F Griera, A Lebensohn, RA Moulinec, H Roessiger, J Suquet, P AF Montagnat, M. Castelnau, O. Bons, P. D. Faria, S. H. Gagliardini, O. Gillet-Chaulet, F. Grennerat, F. Griera, A. Lebensohn, R. A. Moulinec, H. Roessiger, J. Suquet, P. TI Multiscale modeling of ice deformation behavior SO JOURNAL OF STRUCTURAL GEOLOGY LA English DT Review DE Ice mechanical behavior; Multiscale modeling; Viscoplastic anisotropy; Fabric development ID LARGE POLYCRYSTALLINE MASSES; SELF-CONSISTENT APPROACH; EFFECTIVE MECHANICAL-PROPERTIES; SIMULATING GRAIN-GROWTH; FAST FOURIER-TRANSFORMS; ANISOTROPIC FLOW LAW; POLAR ICE; FIELD FLUCTUATIONS; VISCOPLASTIC POLYCRYSTALS; SINGLE-CRYSTALS AB Understanding the flow of ice in glaciers and polar ice sheets is of increasing relevance in a time of potentially significant climate change. The flow of ice has hitherto received relatively little attention from the structural geological community. This paper aims to provide an overview of methods and results of ice deformation modeling from the single crystal to the polycrystal scale, and beyond to the scale of polar ice sheets. All through these scales, various models have been developed to understand, describe and predict the processes that operate during deformation of ice, with the aim to correctly represent ice rheology and self-induced anisotropy. Most of the modeling tools presented in this paper originate from the material science community, and are currently used and further developed for other materials and environments. We will show that this community has deeply integrated ice as a very useful "model" material to develop and validate approaches in conditions of a highly anisotropic behavior. This review, by no means exhaustive, aims at providing an overview of methods at different scales and levels of complexity. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Montagnat, M.; Gagliardini, O.; Gillet-Chaulet, F.; Grennerat, F.] UJF Grenoble I, CNRS, Lab Glaciol & Geophys Environm, F-38402 St Martin Dheres, France. [Castelnau, O.] Arts & Metiers ParisTech, CNRS, F-75013 Paris, France. [Bons, P. D.; Roessiger, J.] Univ Tubingen, Dept Geosci, D-72074 Tubingen, Germany. [Faria, S. H.] Basque Ctr Climate Change BC3, Bilbao 48008, Spain. [Faria, S. H.] Basque Fdn Sci, IKERBASQUE, Bilbao 48011, Spain. [Griera, A.] Univ Autonoma Barcelona, Dept Geol, Bellaterra 08193, Cerdanyola Del, Spain. [Lebensohn, R. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Moulinec, H.; Suquet, P.] CNRS, Lab Mecan & Acoust, UPR 7051, F-13402 Marseille 20, France. [Gagliardini, O.] Inst Univ France, Paris, France. RP Montagnat, M (reprint author), UJF Grenoble I, CNRS, Lab Glaciol & Geophys Environm, F-38402 St Martin Dheres, France. EM montagnat@lgge.obs.ujf-grenoble.fr RI Faria, Sergio/K-9454-2013; Lebensohn, Ricardo/A-2494-2008; Griera, Albert/G-8443-2013; Bons, Paul/F-2942-2011; OI Faria, Sergio/0000-0002-8825-7518; Lebensohn, Ricardo/0000-0002-3152-9105; Griera, Albert/0000-0003-4598-8385; Bons, Paul/0000-0002-6469-3526; Castelnau, Olivier/0000-0001-7422-294X FU French "Agence Nationale de la Recherche" [ANR-08-BLAN-0138]; INSIS; INSU of CNRS; UJF - Grenoble 1, France; German Research Foundation (DFG) [BO-1776/7] FX Financial support by the French "Agence Nationale de la Recherche" is acknowledged (project ELVIS, #ANR-08-BLAN-0138). Together with support from institutes INSIS and INSU of CNRS, and UJF - Grenoble 1, France. PDB and JR gratefully acknowledge funding by the German Research Foundation (DFG, project BO-1776/7). The authors gratefully aknowledge the ESF Research Networking Programme Micro-Dynamics of Ice (MicroDIce). NR 230 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 0191-8141 J9 J STRUCT GEOL JI J. Struct. Geol. PD APR PY 2014 VL 61 SI SI BP 78 EP 108 DI 10.1016/j.jsg.2013.05.002 PG 31 WC Geosciences, Multidisciplinary SC Geology GA AF1OC UT WOS:000334482200005 ER PT J AU Alexander, CMO Cody, GD Kebukawa, Y Bowden, R Fogel, ML Kilcoyne, ALD Nittler, LR Herd, CDK AF Alexander, C. M. O'D. Cody, G. D. Kebukawa, Y. Bowden, R. Fogel, M. L. Kilcoyne, A. L. D. Nittler, L. R. Herd, C. D. K. TI Elemental, isotopic, and structural changes in Tagish Lake insoluble organic matter produced by parent body processes SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID INTERPLANETARY DUST PARTICLES; MOLECULAR-CLOUD MATERIAL; CARBONACEOUS-CHONDRITE; CM CHONDRITES; PRIMITIVE METEORITES; AQUEOUS ALTERATION; INFRARED-SPECTROSCOPY; MURCHISON METEORITE; HYDROUS PYROLYSIS; COMET 81P/WILD-2 AB Here, we present the results of a multitechnique study of the bulk properties of insoluble organic material (IOM) from the Tagish Lake meteorite, including four lithologies that have undergone different degrees of aqueous alteration. The IOM C contents of all four lithologies are very uniform and comprise about half the bulk C and N contents of the lithologies. However, the bulk IOM elemental and isotopic compositions vary significantly. In particular, there is a correlated decrease in bulk IOM H/C ratios and delta D values with increasing degree of alteration-the IOM in the least altered lithology is intermediate between CM and CR IOM, while that in the more altered lithologies resembles the very aromatic IOM in mildly metamorphosed CV and CO chondrites, and heated CMs. Nuclear magnetic resonance (NMR) spectroscopy, C X-ray absorption near-edge (XANES), and Fourier transform infrared (FTIR) spectroscopy confirm and quantitate this transformation from CR-like, relatively aliphatic IOM functional group chemistry to a highly aromatic one. The transformation is almost certainly thermally driven, and probably occurred under hydrothermal conditions. The lack of a paramagnetic shift in C-13 NMR spectra and 1s-sigma* exciton in the C-XANES spectra, both typically seen in metamorphosed chondrites, shows that the temperatures were lower and/or the timescales were shorter than experienced by even the least metamorphosed type 3 chondrites. Two endmember models were considered to quantitatively account for the changes in IOM functional group chemistry, but the one in which the transformations involved quantitative conversion of aliphatic material to aromatic material was the more successful. It seems likely that similar processes were involved in producing the diversity of IOM compositions and functional group chemistries among CR, CM, and CI chondrites. If correct, CRs experienced the lowest temperatures, while CM and CI chondrites experienced similar more elevated temperatures. This ordering is inconsistent with alteration temperatures based on mineralogy and O isotopes. C1 [Alexander, C. M. O'D.; Nittler, L. R.] Carnegie Inst Sci, Dept Terr Magnetism, Washington, DC 20015 USA. [Cody, G. D.; Kebukawa, Y.; Bowden, R.; Fogel, M. L.] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Kilcoyne, A. L. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Herd, C. D. K.] Univ Alberta, Dept Earth & Atmospher Sci, Edmonton, AB T6G 2E3, Canada. RP Alexander, CMO (reprint author), Carnegie Inst Sci, Dept Terr Magnetism, 5241 Broad Branch Rd, Washington, DC 20015 USA. EM alexande@dtm.ciw.edu RI Alexander, Conel/N-7533-2013; Kilcoyne, David/I-1465-2013; Kebukawa, Yoko/A-7315-2010 OI Alexander, Conel/0000-0002-8558-1427; Kebukawa, Yoko/0000-0001-8430-3612 FU Carnegie Institution of Canada; NASA [NNA09DA81A, NNX11AG67G]; Natural Sciences and Engineering Research Council of Canada [261740-08]; JSPS FX We thank Scott Sandford and Corentin Le Guillou for thoughtful and thorough reviews that greatly improved this manuscript. This study was partially funded by Carnegie Institution of Canada and NASA Astrobiology (NNA09DA81A) grants (CA, RB, GC, MF, LN), by NASA grant NNX11AG67G (CA), and by Natural Sciences and Engineering Research Council of Canada grant 261740-08 (CDKH). YK gratefully acknowledges support through the JSPS Postdoctoral Fellowship program. The Advanced Light Source is a DOE facility. NR 77 TC 9 Z9 9 U1 1 U2 30 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 APR PY 2014 VL 49 IS 4 BP 503 EP 525 DI 10.1111/maps.12282 PG 23 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AF4KG UT WOS:000334680200002 ER PT J AU MacGuire, AE Ching, MC Diamond, BH Kazakov, A Novichkov, P Godoy, VG AF MacGuire, Ashley E. Ching, Meining Carly Diamond, Brett H. Kazakov, Alexey Novichkov, Pavel Godoy, Veronica G. TI Activation of phenotypic subpopulations in response to ciprofloxacin treatment in Acinetobacter baumannii SO MOLECULAR MICROBIOLOGY LA English DT Article ID ESCHERICHIA-COLI; DNA-DAMAGE; GENE AMPLIFICATION; SOS RESPONSE; INDUCED MUTAGENESIS; LEXA PROTEIN; COPY NUMBER; STRAIN ADP1; RESISTANCE; SURVIVAL AB The multidrug-resistant, opportunistic pathogen, Acinetobacter baumannii, has spread swiftly through hospitals worldwide. Previously, we demonstrated that A.baumannii regulates the expression of various genes in response to DNA damage. Some of these regulated genes, especially those encoding the multiple error-prone DNA polymerases, can be implicated in induced mutagenesis, leading to antibiotic resistance. Here, we further explore the DNA damage-inducible system at the single cell level using chromosomal transcriptional reporters for selected DNA damage response genes. We found the genes examined respond in a bimodal fashion to ciprofloxacin treatment, forming two phenotypic subpopulations: induced and uninduced. This bimodal response to ciprofloxacin treatment in A.baumannii is unique and quite different than the Escherichia coli paradigm. The subpopulations are not genetically different, with each subpopulation returning to a starting state and differentiating with repeated treatment. We then identified a palindromic motif upstream of certain DNA damage response genes, and have shown alterations to this sequence to diminish the bimodal induction in response to DNA damaging treatment. Lastly, we are able to show a biological advantage for a bimodal response, finding that one subpopulation survives ciprofloxacin treatment better than the other. C1 [MacGuire, Ashley E.; Ching, Meining Carly; Diamond, Brett H.; Godoy, Veronica G.] Northeastern Univ, Dept Biol, Boston, MA 02115 USA. [Kazakov, Alexey; Novichkov, Pavel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Godoy, VG (reprint author), Northeastern Univ, Dept Biol, Boston, MA 02115 USA. EM v.godoycarter@neu.edu FU Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-SC0004999]; [1RO1GM088230-01A1] FX This work was supported by the grant 1RO1GM088230-01A1 and its supplement from the National Institutes of Health (NIH) Institute of General Medicine to V. G. Godoy, and by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under contract DE-SC0004999 to A. Kazakov and P. Novichkov. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 64 TC 1 Z9 1 U1 1 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0950-382X EI 1365-2958 J9 MOL MICROBIOL JI Mol. Microbiol. PD APR PY 2014 VL 92 IS 1 BP 138 EP 152 DI 10.1111/mmi.12541 PG 15 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA AE9MG UT WOS:000334331300009 PM 24612352 ER PT J AU Zeng, ZY Liang, WI Liao, HG Xin, HLL Chu, YH Zheng, HM AF Zeng, Zhiyuan Liang, Wen-I Liao, Hong-Gang Xin, Huolin L. Chu, Yin-Hao Zheng, Haimei TI Visualization of Electrode-Electrolyte Interfaces in LiPF6/EC/DEC Electrolyte for Lithium Ion Batteries via in Situ TEM SO NANO LETTERS LA English DT Article DE Liquid cell TEM; electrochemical liquid cell; lithium ion batteries; lithium dendrite; solid-electrolyte interface ID ELECTROCHEMICAL LITHIATION; CARBONATE SOLUTIONS; LEAD DENDRITES; MICROSCOPY; LIQUID; GROWTH; LI; NANOSCALE; ANODE; CELL AB We report direct visualization of electrochemical lithiation and delithiation of Au anodes in a commercial LiPF6/EC/DEC electrolyte for lithium ion batteries using transmission electron microscopy (TEM). The inhomogeneous lithiation, lithium metal dendritic growth, electrolyte decomposition, and solid-electrolyte interface (SEI) formation are observed in situ. These results shed lights on strategies of improving electrode design for reducing short-circuit failure and improving the performance of lithium ion batteries. C1 [Zeng, Zhiyuan; Liang, Wen-I; Liao, Hong-Gang; Xin, Huolin L.; Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Liang, Wen-I; Chu, Yin-Hao] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan. [Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Zheng, HM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM hmzheng@lbl.gov RI Ying-Hao, Chu/A-4204-2008; zeng, zhiyuan/G-7571-2015; Liao, hong-gang/M-2476-2015; Foundry, Molecular/G-9968-2014; Xin, Huolin/E-2747-2010 OI Ying-Hao, Chu/0000-0002-3435-9084; zeng, zhiyuan/0000-0001-7483-1438; Xin, Huolin/0000-0002-6521-868X FU U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; National Science Council in Taiwan [NSC102-2911-I-009-502]; DOE Office of Science Early Career Research Program FX We thank Dr. Steve Harris for useful discussions. The experiments were conducted using both MSD TEM facility and a TEAM0.5 microscope at National Center for Electron Microscopy (NCEM) of the Lawrence Berkeley National Laboratory (LBNL), which is supported by the U.S. Department of Energy (DOE) under contract no. DE-AC02-05CH11231. W.L. is supported by National Science Council in Taiwan under contract no. NSC102-2911-I-009-502. H.Z. thanks the support of DOE Office of Science Early Career Research Program. We thank Direct Electron, LP (San Diego, CA) for providing the high speed direct electron camera model DE-12 for movie capture. NR 33 TC 58 Z9 58 U1 34 U2 274 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 APR PY 2014 VL 14 IS 4 BP 1745 EP 1750 DI 10.1021/nl403922u 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 AF2WE UT WOS:000334572400009 PM 24443941 ER PT J AU Tafen, DN Long, R Prezhdo, OV AF Tafen, De Nyago Long, Run Prezhdo, Oleg V. TI Dimensionality of Nanoscale TiO2 Determines the Mechanism of Photoinduced Electron Injection from a CdSe Nanoparticle SO NANO LETTERS LA English DT Article DE Nonadiabatic molecular dynamics; time-domain density functional theory; semiconductor quantum dots; electron-vibrational interaction; adiabatic electron transfer ID DOMAIN AB-INITIO; NANOTUBE-ARRAY PHOTOELECTRODES; OBLIQUE ANGLE CODEPOSITION; SENSITIZED SOLAR-CELLS; AUGMENTED-WAVE METHOD; QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; MOLECULAR-DYNAMICS; WATER; PBSE AB Assumptions about electron transfer (ET) mechanisms guide design of catalytic, photovoltaic, and electronic systems. We demonstrate that the mechanism of ET from a CdSe quantum dot (QD) into nanoscale TiO2 depends on TiO2 dimensionality. The injection into a TiO2 QD is adiabatic due to strong donor-acceptor coupling, arising from unsaturated chemical bonds on the QD surface, and low density of acceptor states. In contrast, the injection into a TiO2 nanobelt (NB) is nonadiabatic, because the state density is high, the donor-acceptor coupling is weak, and multiple phonons accommodate changes in the electronic energy. The CdSe adsorbant breaks symmetry of delocalized TiO2 NB states, relaxing coupling selection rules, and generating more ET channels. Both mechanisms can give efficient ultrafast injection. However, the dependence on system properties is very different for the two mechanisms, demonstrating that the fundamental principles leading to efficient charge separation depend strongly on the type of nanoscale material. C1 [Tafen, De Nyago] Natl Energy Technol Lab, Albany, OR 97321 USA. [Tafen, De Nyago] URS Corp, Albany, OR 97321 USA. [Long, Run] Univ Coll Dublin, Sch Phys, Complex & Adapt Syst Lab, Dublin 4, Ireland. [Prezhdo, Oleg V.] Univ Rochester, Dept Chem, New York, NY 14620 USA. RP Tafen, DN (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. EM denyago.tafen@contr.netl.doe.gov; oleg.prezhdo@rochester.edu OI Tafen, De Nyago/0000-0002-4360-9508 FU National Energy Technology Laboratory [DE-FE0004000]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Science Foundation Ireland (SFI) SIRG Program [11/SIRG/E2172]; U.S. Department of Energy [DE-SC0006527]; Department of Energy, National Energy Technology Laboratory, an agency of the United States Government; URS Energy and Construction, Inc. FX The technical effort was performed in support of the National Energy Technology Laboratory's ongoing research under the RES Contract DE-FE0004000. Part of this research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. D.N.T. would like to thank C. Matranga for fruitful discussions. R.L. is grateful to the Science Foundation Ireland (SFI) SIRG Program (Grant 11/SIRG/E2172). O.V.P. acknowledges financial support of the U.S. Department of Energy, Grant DE-SC0006527. This project was funded by the Department of Energy, National Energy Technology Laboratory, an agency of the United States Government, through a support contract with URS Energy and Construction, Inc. Neither the United States Government nor any agency thereof, nor any of their employees, nor URS Energy & Construction, Inc., nor any of their employees, makes any warranty, expressed 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 70 TC 20 Z9 20 U1 9 U2 63 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 APR PY 2014 VL 14 IS 4 BP 1790 EP 1796 DI 10.1021/nl404352a 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 AF2WE UT WOS:000334572400016 ER PT J AU Sheng, X He, DQ Yang, J Zhu, K Feng, XJ AF Sheng, Xia He, Dongqing Yang, Jie Zhu, Kai Feng, Xinjian TI Oriented Assembled TiO2 Hierarchical Nanowire Arrays with Fast Electron Transport Properties SO NANO LETTERS LA English DT Article DE Three dimensional; nanowire; semiconductor; charge transport; solar cells ID SENSITIZED SOLAR-CELLS; CHARGE-TRANSPORT; DYE; RECOMBINATION; PERFORMANCE; HETEROSTRUCTURES; GROWTH; OXIDE AB Developing high surface area nanostructured electrodes with rapid charge transport is essential for artificial photosynthesis, solar cells, photocatalysis, and energy storage devices. Substantial research efforts have been recently focused on building one-dimensional (1D) nanoblocks with fast charge transport into three-dimensional (3D) hierarchical architectures. However, except for the enlargement in surface area, there is little experimental evidence of fast electron transport in these 3D nanostructure-based solar cells. In this communication, we report single-crystal-like 3D TiO2 branched nanowire arrays consisting of 1D branch epitaxially grown from the primary trunk. These 3D branched nanoarrays not only demonstrate 71% enlargement in large surface area (compared with 1D nanowire arrays) but also exhibit fast charge transport property (comparable to that in 1D single crystal nanoarrays), leading to 52% improvement in solar conversion efficiency. The orientated 3D assembly strategy reported here can be extended to assemble other metal oxides with one or multiple components and thus represents a critical avenue toward high-performance optoelectronics. C1 [Sheng, Xia; He, Dongqing; Yang, Jie; Feng, Xinjian] Chinese Acad Sci, Suzhou Inst Nanotech & Nanobion, Suzhou 215123, Jiangsu, Peoples R China. [Zhu, Kai] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Feng, XJ (reprint author), Chinese Acad Sci, Suzhou Inst Nanotech & Nanobion, Suzhou 215123, Jiangsu, Peoples R China. EM Kai.Zhu@nrel.gov; xjfeng2011@sinano.ac.cn FU Chinese Thousand Talents Program [YZBQF11001]; National Natural Science Foundation of China [21371178]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was financially supported by grants of Chinese Thousand Talents Program (YZBQF11001) and the National Natural Science Foundation of China (21371178). K.Z. acknowledges the support by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. NR 31 TC 51 Z9 52 U1 26 U2 245 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 APR PY 2014 VL 14 IS 4 BP 1848 EP 1852 DI 10.1021/nl4046262 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 AF2WE UT WOS:000334572400025 PM 24628675 ER PT J AU Ishikawa, R Lupini, AR Findlay, SD Taniguchi, T Pennycook, SJ AF Ishikawa, Ryo Lupini, Andrew R. Findlay, Scott D. Taniguchi, Takashi Pennycook, Stephen J. TI Three-Dimensional Location of a Single Dopant with Atomic Precision by Aberration-Corrected Scanning Transmission Electron Microscopy SO NANO LETTERS LA English DT Article DE Three-dimensional imaging; photoluminescence; single dopant; atomic-resolution ADF STEM ID DOPED TITANIUM-DIOXIDE; ROOM-TEMPERATURE; STEM; RESOLUTION; FERROMAGNETISM; TOMOGRAPHY; DIFFRACTION; CRYSTALS AB Materials properties, such as optical and electronic response, can be greatly enhanced by isolated single dopants. Determining the full three-dimensional single-dopant defect structure and spatial distribution is therefore critical to understanding and adequately tuning functional properties. Combining quantitative Z-contrast scanning transmission electron microscopy images with image simulations, we show the direct determination of the atomic-scale depth location of an optically active, single atom Ce dopant embedded within wurtzite-type AlN. The method represents a powerful new tool for reconstructing three-dimensional information from a single, two-dimensional image. C1 [Ishikawa, Ryo; Lupini, Andrew R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Findlay, Scott D.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. [Taniguchi, Takashi] Natl Inst Mat Sci, Adv Key Technol Div, Tsukuba, Ibaraki 3050044, Japan. [Pennycook, Stephen J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Ishikawa, R (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM ishikawa@sigma.t.u-tokyo.ac.jp RI Ishikawa, Ryo/M-4206-2014; TANIGUCHI, Takashi/H-2718-2011; OI Ishikawa, Ryo/0000-0001-5801-0971; Findlay, Scott/0000-0003-4862-4827 FU JSPS [25106006]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Australian Research Council [DP110101570]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX R.I. acknowledges support from JSPS Postdoctoral Fellowship for Research Abroad and Professor N. Shibata, Professor Y. Ikuhara (University of Tokyo) and Professor F. Oba (Kyoto University) for helpful discussions. A.R.L. acknowledges support by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. S.D.F. acknowledges support under the Discovery Projects funding scheme of the Australian Research Council (Project No. DP110101570). T.T. acknowledges support by a Grant-in-Aid for Scientific Research on Innovative Areas "Nano Informatics" (Grant 25106006) from JSPS. We partly used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 33 TC 28 Z9 28 U1 3 U2 63 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 APR PY 2014 VL 14 IS 4 BP 1903 EP 1908 DI 10.1021/nl500564b 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 AF2WE UT WOS:000334572400034 PM 24646109 ER PT J AU Limmer, SJ Yelton, WG Erickson, KJ Medlin, DL Siegal, MP AF Limmer, Steven J. Yelton, W. Graham Erickson, Kristopher J. Medlin, Douglas L. Siegal, Michael P. TI Recrystallized Arrays of Bismuth Nanowires with Trigonal Orientation SO NANO LETTERS LA English DT Article DE Bismuth; nanowire; thermoelectric; crystallinity; solidification ID BI NANOWIRE; TRANSPORT-PROPERTIES; LARGE-AREA; CRYSTALLINE; FABRICATION; OXIDE; DIAMETERS; WIRES AB We demonstrate methods to improve the crystalline-quality of free-standing Bi nanowires arrays on a Si substrate and enhance the preferred trigonal orientation for thermoelectric performance by annealing the arrays above the 271.4 degrees C Bi melting point. The nanowires maintain their geometry during melting due to the formation of a thin Bioxide protective shell that contains the molten Bi. Recrystallizing nanowires from the melt improves crystallinity; those cooled rapidly demonstrate a strong trigonal orientation preference. C1 [Limmer, Steven J.; Yelton, W. Graham; Siegal, Michael P.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Erickson, Kristopher J.; Medlin, Douglas L.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Limmer, SJ (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM sjlimme@sandia.gov OI Limmer, Steven/0000-0001-6588-372X FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Don Overmyer for assistance preparing the nanowire samples and Josh Sugar for assistance in use of the in situ TEM heating holder. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 45 TC 5 Z9 5 U1 5 U2 35 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 APR PY 2014 VL 14 IS 4 BP 1927 EP 1931 DI 10.1021/nl404752p 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 AF2WE UT WOS:000334572400038 PM 24548238 ER PT J AU Wittenberg, JS Miller, TA Szilagyi, E Lutker, K Quirin, F Lu, W Lemke, H Zhu, DL Chollet, M Robinson, J Wen, HD Sokolowski-Tinten, K Alivisatos, AP Lindenberg, AM AF Wittenberg, Joshua S. Miller, Timothy A. Szilagyi, Erzsi Lutker, Katie Quirin, Florian Lu, Wei Lemke, Henrik Zhu, Diling Chollet, Matthieu Robinson, Joseph Wen, Haidan Sokolowski-Tinten, Klaus Alivisatos, A. Paul Lindenberg, Aaron M. TI Real-Time Visualization of Nanocrystal Solid-Solid Transformation Pathways SO NANO LETTERS LA English DT Article DE Structural phase transition; martensitic; shock; time-resolved; X-ray ID STRUCTURAL-TRANSFORMATION; PHASE-TRANSFORMATIONS; SHOCK COMPRESSION; CDSE NANOCRYSTALS; TRANSITION; DYNAMICS; WURTZITE; SIZE; METASTABILITY; DIFFRACTION AB Measurement and understanding of the microscopic pathways materials follow as they transform is crucial for the design and synthesis of new metastable phases of matter. Here we employ femtosecond single-shot X-ray diffraction techniques to measure the pathways underlying solid solid phase transitions in cadmium sulfide nanorods, a model system for a general class of martensitic transformations. Using picosecond rise-time laser-generated shocks to trigger the transformation, we directly observe the transition state dynamics associated with the wurtzite-to-rocicsalt structural phase transformation in cadmium sulfide with atomic-scale resolution. A stress-dependent transition path is observed. At high peak stresses, the majority of the sample is converted directly into the rocksalt phase with no evidence of an intermediate prior to rocksalt formation. At lower peak stresses, a transient five-coordinated intermediate structure is observed consistent with previous first principles modeling. C1 [Wittenberg, Joshua S.; Lindenberg, Aaron M.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Wittenberg, Joshua S.; Miller, Timothy A.; Lindenberg, Aaron M.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Szilagyi, Erzsi] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Lutker, Katie; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Quirin, Florian; Lu, Wei; Sokolowski-Tinten, Klaus] Univ Duisburg Essen, Fac Phys, D-47048 Duisburg, Germany. [Quirin, Florian; Lu, Wei; Sokolowski-Tinten, Klaus] Univ Duisburg Essen, Ctr Nanointegrat Duisburg Essen CENIDE, D-47048 Duisburg, Germany. [Lemke, Henrik; Zhu, Diling; Chollet, Matthieu; Robinson, Joseph] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA. [Wen, Haidan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Lindenberg, Aaron M.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA. RP Lindenberg, AM (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM aaronl@stanford.edu RI Miller, Timothy/C-9128-2011; Sokolowski-Tinten, Klaus/A-5415-2015; Alivisatos , Paul /N-8863-2015; Lemke, Henrik Till/N-7419-2016 OI Miller, Timothy/0000-0002-5585-7736; Alivisatos , Paul /0000-0001-6895-9048; Lemke, Henrik Till/0000-0003-1577-8643 FU Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; German Research Council through the Collaborative Research Center [SFB 616]; Physical Chemistry of Inorganic Nanostructures Program [KC3105]; Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Portions of this research were carried out at the Linac Coherent Light Source (LCLS) at the SLAC National Accelerator Laboratory. LCLS is an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Stanford University. H.W. acknowledges support from U.S. Department of Energy, Office of Science, under Contrast No. DE-AC02-06CH11357. F.Q, and K.S.T. gratefully acknowledge financial support by the German Research Council through the Collaborative Research Center SFB 616 "Energy Dissipation at Surfaces". K.M.L. and A.P.A. are supported by the Physical Chemistry of Inorganic Nanostructures Program, KC3105, Director, Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under contract DE-AC02-05CH11231. NR 34 TC 6 Z9 6 U1 5 U2 67 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 APR PY 2014 VL 14 IS 4 BP 1995 EP 1999 DI 10.1021/nl500043c 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 AF2WE UT WOS:000334572400048 PM 24588125 ER PT J AU Radha, B Senesi, AJ O'Brien, MN Wang, MX Auyeung, E Lee, B Mirkin, CA AF Radha, Boya Senesi, Andrew J. O'Brien, Matthew N. Wang, Mary X. Auyeung, Evelyn Lee, Byeongdu Mirkin, Chad A. TI Reconstitutable Nanoparticle Superlattices SO NANO LETTERS LA English DT Article DE DNA; nanoparticle; superlattice; rehydration; X-ray scattering; assembly ID X-RAY-SCATTERING; PROGRAMMABLE ATOM EQUIVALENTS; GRAZING-INCIDENCE; CIRCULAR-DICHROISM; DNA FILMS; CRYSTALLIZATION; NANOSTRUCTURES; NANOCRYSTALS; ASSEMBLIES; TRANSITION AB Colloidal self-assembly predominantly results in lattices that are either: (1) fixed in the solid state and not amenable to additional modification, or (2) in solution, capable of dynamic adjustment, but difficult to transition to other environments. Accordingly, approaches to both dynamically adjust the interparticle spacing of nanoparticle superlattices and reversibly transfer superlattices between solution-phase and solid state environments are limited. In this manuscript, we report the reversible contraction and expansion of nanoparticles within immobilized monolayers, surface-assembled superlattices, and free-standing single crystal superlattices through dehydration and subsequent rehydration. Interestingly, DNA contraction upon dehydration occurs in a highly uniform manner, which allows access to spacings as small as 4.6 nm and as much as a 63% contraction in the volume of the lattice. This enables one to deliberately control interparticle spacings over a 4-46 nm range and to preserve solution-phase lattice symmetry in the solid state. This approach could be of use in the study of distance-dependent properties of nanoparticle superlattices and for long-term superlattice preservation. C1 [Radha, Boya; O'Brien, Matthew N.; Mirkin, Chad A.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Radha, Boya; O'Brien, Matthew N.; Wang, Mary X.; Auyeung, Evelyn; Mirkin, Chad A.] Northwestern Univ, Int Inst Nanotechnol, Evanston, IL 60208 USA. [Radha, Boya; Auyeung, Evelyn; Mirkin, Chad A.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Wang, Mary X.; Mirkin, Chad A.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA. [Senesi, Andrew J.; Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Lee, B (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM blee@anl.gov; chadnano@northwestern.edu RI Mirkin, Chad/E-3911-2010; O'Brien, Matthew/G-9998-2016; OI O'Brien, Matthew/0000-0002-1721-0464; Lee, Byeongdu/0000-0003-2514-8805 FU AFOSR [FA9550-09-1-0294, FA9550-11-1-0275, FA9550-12-1-0280]; National Science Foundation's MRSEC program at the Materials Research Center of Northwestern University [DMR-1121262]; Nonequilibrium Energy Research Center (NERC), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0000989]; U.S. DOE [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; MRSEC program at the Materials Research Center of the National Science Foundation [NSF DMR-1121262]; Nanoscale Science and Engineering Center of the National Science Foundation [EEC-0118025/003]; State of Illinois; Northwestern University; Indo-US postdoctoral fellowship; NSF FX This material is based upon work supported by the AFOSR under Award Nos. FA9550-09-1-0294, FA9550-11-1-0275, and FA9550-12-1-0280. This work was supported by the National Science Foundation's MRSEC program (DMR-1121262) at the Materials Research Center of Northwestern University. This material is based upon work supported as part of the Nonequilibrium Energy Research Center (NERC), 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-SC0000989. 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. 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. This work made use of the EPIC facility (NUANCE Center-Northwestern University), which has received support from the MRSEC program (NSF DMR-1121262) at the Materials Research Center, and the Nanoscale Science and Engineering Center (EEC-0118025/003), both programs of the National Science Foundation; the State of Illinois; and Northwestern University. B.R. acknowledges support through an Indo-US postdoctoral fellowship. M.N.O. gratefully acknowledges support through a NSF Graduate Research Fellowship. M.X.W. acknowledges support through an NSF Graduate Research Fellowship and a Northwestern University Ryan Fellowship. NR 41 TC 15 Z9 16 U1 4 U2 99 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 APR PY 2014 VL 14 IS 4 BP 2162 EP 2167 DI 10.1021/nl500473t 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 AF2WE UT WOS:000334572400074 PM 24641553 ER PT J AU Boley, N Stoiber, MH Booth, BW Wan, KH Hoskins, RA Bickel, PJ Celniker, SE Brown, JB AF Boley, Nathan Stoiber, Marcus H. Booth, Benjamin W. Wan, Kenneth H. Hoskins, Roger A. Bickel, Peter J. Celniker, Susan E. Brown, James B. TI Genome-guided transcript assembly by integrative analysis of RNA sequence data SO NATURE BIOTECHNOLOGY LA English DT Article ID SEQ DATA; GENE-EXPRESSION; MESSENGER-RNA; DROSOPHILA; QUANTIFICATION; NORMALIZATION; LOCALIZATION; PROMOTER; REVEALS; BINDING AB The identification of full length transcripts entirely from short-read RNA sequencing data (RNA-seq) remains a challenge in the annotation of genomes. Here we describe an automated pipeline for genome annotation that integrates RNA-seq and gene-boundary data sets, which we call Generalized RNA Integration Tool, or GRIT. Applying GRIT to Drosophila melanogaster short-read RNA-seq, cap analysis of gene expression (CAGE) and poly(A)-site-seq data collected for the modENCODE project, we recovered the vast majority of previously annotated transcripts and doubled the total number of transcripts cataloged. We found that 20% of protein coding genes encode multiple protein-localization signals and that, in 20-d-old adult fly heads, genes with multiple polyadenylation sites are more common than genes with alternative splicing or alternative promoters. GRIT demonstrates 30% higher precision and recall than the most widely used transcript assembly tools. GRIT will facilitate the automated generation of high-quality genome annotations without the need for extensive manual annotation. C1 [Boley, Nathan; Stoiber, Marcus H.] Univ Calif Berkeley, Dept Biostat, Berkeley, CA 94720 USA. [Booth, Benjamin W.; Wan, Kenneth H.; Hoskins, Roger A.; Celniker, Susan E.; Brown, James B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Genome Dynam, Berkeley, CA 94720 USA. [Bickel, Peter J.; Celniker, Susan E.; Brown, James B.] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. RP Boley, N (reprint author), Univ Calif Berkeley, Dept Biostat, Berkeley, CA 94720 USA. EM celniker@fruitfly.org RI Brown, James/H-2971-2015 FU National Human Genome Research Institute modENCODE Project [R21 HG006187, K99 HG006698, U01 HG004271, DE-AC02-05CH11231] FX We thank the members of the modENCODE transcription consortium for generating the data and C. Cotterman, E. Frise, B. Graveley, H. Huang and J. Li for discussions and S. Kadri for producing the Scripture annotation. This work was funded by a contract from the National Human Genome Research Institute modENCODE Project, contracts R21 HG006187 to P. J. B.; K99 HG006698 to J.B.B.; and U01 HG004271 to S.E.C. under Department of Energy contract no. DE-AC02-05CH11231. NR 41 TC 19 Z9 19 U1 1 U2 16 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1087-0156 EI 1546-1696 J9 NAT BIOTECHNOL JI Nat. Biotechnol. PD APR PY 2014 VL 32 IS 4 BP 341 EP U198 DI 10.1038/nbt.2850 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AE9PT UT WOS:000334340800018 PM 24633242 ER PT J AU Qiao, ZA Chai, SH Nelson, K Bi, ZG Chen, JH Mahurin, SM Zhu, X Dai, S AF Qiao, Zhen-An Chai, Song-Hai Nelson, Kimberly Bi, Zhonghe Chen, Jihua Mahurin, Shannon M. Zhu, Xiang Dai, Sheng TI Polymeric molecular sieve membranes via in situ cross-linking of non-porous polymer membrane templates SO NATURE COMMUNICATIONS LA English DT Article ID MICROPOROUS ORGANIC POLYMERS; GRAPHENE OXIDE MEMBRANES; INTRINSIC MICROPOROSITY; GAS SEPARATION; HOLLOW NANOCRYSTALS; HYDROGEN STORAGE; CO2 SEPARATION; FRAMEWORKS; TRANSPORT; PERMEABILITY AB High-performance polymeric membranes for gas separation are attractive for molecular-level separations in industrial-scale chemical, energyand environmental processes. Molecular sieving materials are widely regarded as the next-generation membranes to simultaneously achieve high permeability and selectivity. However, most polymeric molecular sieve membranes are based on a few solution-processable polymers such as polymers of intrinsic microporosity. Here we report an in situ cross-linking strategy for the preparation of polymeric molecular sieve membranes with hierarchical and tailorable porosity. These membranes demonstrate exceptional performance as molecular sieves with high gas permeabilities and selectivities for smaller gas molecules, such as carbon dioxide and oxygen, over larger molecules such as nitrogen. Hence, these membranes have potential for large-scale gas separations of commercial and environmental relevance. Moreover, this strategy could provide a possible alternative to 'classical' methods for the preparation of porous membranes and, in some cases, the only viable synthetic route towards certain membranes. C1 [Qiao, Zhen-An; Chai, Song-Hai; Bi, Zhonghe; Chen, Jihua; Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Nelson, Kimberly; Zhu, Xiang; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Qiao, ZA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM qiaozhenan@gmail.com; dais@ornl.gov RI Chen, Jihua/F-1417-2011; Chai, Song-Hai/A-9299-2012; Zhu, Xiang/P-6867-2014; Dai, Sheng/K-8411-2015; OI Chen, Jihua/0000-0001-6879-5936; Chai, Song-Hai/0000-0002-4152-2513; Zhu, Xiang/0000-0002-3973-4998; Dai, Sheng/0000-0002-8046-3931; Qiao, Zhen-An/0000-0001-6064-9360 FU US Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division; Oak Ridge National Laboratory; Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy FX This work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy. NR 42 TC 31 Z9 31 U1 31 U2 282 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 APR PY 2014 VL 5 AR 3705 DI 10.1038/ncomms4705 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AG2CI UT WOS:000335222700003 PM 24739439 ER PT J AU Vogt, K Fradin, FY Pearson, JE Sebastian, T Bader, SD Hillebrands, B Hoffmann, A Schultheiss, H AF Vogt, K. Fradin, F. Y. Pearson, J. E. Sebastian, T. Bader, S. D. Hillebrands, B. Hoffmann, A. Schultheiss, H. TI Realization of a spin-wave multiplexer SO NATURE COMMUNICATIONS LA English DT Article ID SPINTRONICS; MAGNONICS AB Recent developments in the field of spin dynamics-like the interaction of charge and heat currents with magnons, the quasi-particles of spin waves-opens the perspective for novel information processing concepts and potential applications purely based on magnons without the need of charge transport. The challenges related to the realization of advanced concepts are the spin-wave transport in two-dimensional structures and the transfer of existing demonstrators to the micro-or even nanoscale. Here we present the experimental realization of a microstructured spin-wave multiplexer as a fundamental building block of a magnon-based logic. Our concept relies on the generation of local Oersted fields to control the magnetization configuration as well as the spin-wave dispersion relation to steer the spin-wave propagation in a Y-shaped structure. Thus, the present work illustrates unique features of magnonic transport as well as their possible utilization for potential technical applications. C1 [Vogt, K.; Sebastian, T.; Hillebrands, B.] Tech Univ Kaiserslautern, Fachbereich Phys, D-67663 Kaiserslautern, Germany. [Vogt, K.; Sebastian, T.; Hillebrands, B.] Tech Univ Kaiserslautern, Forschungszentrum OPTIMAS, D-67663 Kaiserslautern, Germany. [Vogt, K.] Grad Sch Excellence MAt Sci IN mainZ, D-67663 Kaiserslautern, Germany. [Fradin, F. Y.; Pearson, J. E.; Bader, S. D.; Hoffmann, A.; Schultheiss, H.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Sebastian, T.; Schultheiss, H.] Helmholtz Zentrum Dresden Rossendorf, Inst Ionenstrahlphys & Mat Forsch, D-01328 Dresden, Germany. [Bader, S. D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Schultheiss, H (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM h.schultheiss@hzdr.de RI Hoffmann, Axel/A-8152-2009; Hillebrands, Burkard/C-6242-2008; Schultheiss, Helmut/I-2221-2013; OI Hoffmann, Axel/0000-0002-1808-2767; Hillebrands, Burkard/0000-0001-8910-0355; Schultheiss, Helmut/0000-0002-6727-5098; Sebastian, Thomas/0000-0002-3384-7393 FU Carl-Zeiss-Stiftung; U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division; DOE, Office of Science, BES [DE-AC02-06CH11357] FX Financial support by the Carl-Zeiss-Stiftung is gratefully acknowledged. The work at Argonne was support by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division. Lithographic patterning was carried out at the Center for Nanoscale Materials, which is supported by DOE, Office of Science, BES (#DE-AC02-06CH11357). NR 27 TC 51 Z9 51 U1 5 U2 50 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 APR PY 2014 VL 5 AR 3727 DI 10.1038/ncomms4727 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AG2CN UT WOS:000335223300001 PM 24759754 ER PT J AU Yi, M Zhang, Y Liu, ZK Ding, X Chu, JH Kemper, AF Plonka, N Moritz, B Hashimoto, M Mo, SK Hussain, Z Devereaux, TP Fisher, IR Wen, HH Shen, ZX Lu, DH AF Yi, M. Zhang, Y. Liu, Z. -K. Ding, X. Chu, J. -H. Kemper, A. F. Plonka, N. Moritz, B. Hashimoto, M. Mo, S. -K. Hussain, Z. Devereaux, T. P. Fisher, I. R. Wen, H. H. Shen, Z. -X. Lu, D. H. TI Dynamic competition between spin-density wave order and superconductivity in underdoped Ba1-xKxFe2As2 SO NATURE COMMUNICATIONS LA English DT Article ID IRON; TRANSITION; ANISOTROPY AB An intriguing aspect of unconventional superconductivity is that it always appears in the vicinity of other competing phases, whose suppression brings the full emergence of superconductivity. In the iron pnictides, these competing phases are marked by a tetragonal-to-orthorhombic structural transition and a collinear spin-density wave (SDW) transition. There has been macroscopic evidence for competition between these phases and superconductivity as the magnitude of both the orthorhombicity and magnetic moment are suppressed in the superconducting state. Here, using angle-resolved photoemission spectroscopy on detwinned underdoped Ba1-xKxFe2As2, we observe a coexistence of both the SDW gap and superconducting gap in the same electronic structure. Furthermore, our data reveal that following the onset of superconductivity, the SDW gap decreases in magnitude and shifts in a direction consistent with a reduction of the orbital anisotropy. This observation provides direct spectroscopic evidence for the dynamic competition between superconductivity and both SDW and electronic nematic orders in these materials. C1 [Yi, M.; Zhang, Y.; Liu, Z. -K.; Plonka, N.; Moritz, B.; Devereaux, T. P.; Fisher, I. R.; Shen, Z. -X.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Yi, M.; Zhang, Y.; Liu, Z. -K.; Plonka, N.; Moritz, B.; Devereaux, T. P.; Fisher, I. R.; Shen, Z. -X.] Stanford Univ, Menlo Pk, CA 94025 USA. [Yi, M.; Liu, Z. -K.; Plonka, N.; Fisher, I. R.; Shen, Z. -X.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Yi, M.; Liu, Z. -K.; Plonka, N.; Fisher, I. R.; Shen, Z. -X.] Stanford Univ, Geballe Lab Adv Mat, Dept Appl Phys, Stanford, CA 94305 USA. [Zhang, Y.; Mo, S. -K.; Hussain, Z.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Ding, X.; Wen, H. H.] Nanjing Univ, Ctr Superconducting Phys & Mat, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Ding, X.; Wen, H. H.] Nanjing Univ, Natl Ctr Microstruct & Quantum Manipulat, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China. [Chu, J. -H.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kemper, A. F.] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Moritz, B.] Univ N Dakota, Dept Phys & Astrophys, Grand Forks, ND 58202 USA. [Hashimoto, M.; Lu, D. H.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP Lu, DH (reprint author), SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. EM zxshen@stanford.edu; dhlu@slac.stanford.edu RI Moritz, Brian/D-7505-2015; Mo, Sung-Kwan/F-3489-2013; Kemper, Alexander/F-8243-2016; Ding, Xiaxin/O-9256-2016 OI Moritz, Brian/0000-0002-3747-8484; Mo, Sung-Kwan/0000-0003-0711-8514; Kemper, Alexander/0000-0002-5426-5181; FU US DOE, Office of Basic Energy Science, Division of Materials Science and Engineering [DE-AC02-76SF00515] FX ARPES experiments were performed at the Stanford Synchrotron Radiation Lightsource and the Advanced Light Source, which are both operated by the Office of Basic Energy Sciences, U.S. Department of Energy. The Stanford work is supported by the US DOE, Office of Basic Energy Science, Division of Materials Science and Engineering, under Award # DE-AC02-76SF00515. NR 34 TC 15 Z9 15 U1 4 U2 41 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 APR PY 2014 VL 5 AR 3711 DI 10.1038/ncomms4711 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AG2CL UT WOS:000335223100002 PM 24762657 ER PT J AU Gentry, C Maldonado, I Godfrey, A Terrani, K Gehin, J Powers, J AF Gentry, Cole Maldonado, Ivan Godfrey, Andrew Terrani, Kurt Gehin, Jess Powers, Jeffrey TI A NEUTRONIC INVESTIGATION OF THE USE OF FULLY CERAMIC MICROENCAPSULATED FUEL FOR Pu/Np BURNING IN PWRs SO NUCLEAR TECHNOLOGY LA English DT Article DE TRISO; FCM; plutonium burning ID PLUTONIUM; REACTOR; WATER AB An investigation of the utilization of TRistructural-ISOtropic (TRISO)-coated fuel particles for the burning of plutonium/neptunium (Pu/Np) isotopes in typical Westinghouse four-loop pressurized water reactors is presented. Though numerous studies have evaluated the burning of transuranic isotopes in light water reactors (LWRs), this work differentiates itself by employing Pu/Np-loaded TRISO particles embedded within a silicon carbide (SiC) matrix and formed into pellets, constituting the fully ceramic microencapsulated (FCM) fuel concept that can be loaded into standard LWR fuel element cladding. This approach provides the capability of Pu/Np burning and, by virtue of the multibarrier TRISO particle design and SiC matrix properties, will allow for greater burnup of Pu/Np material, plus improved fuel reliability and thermal performance. In this study, a variety of heterogeneous assembly layouts, which utilize a mix of FCM rods and typical UO2 rods, and core loading patterns were analyzed to demonstrate the neutronic feasibility of Pu/Np-loaded TRISO fuel. The assembly and core designs herein reported are not fully optimized and require fine-tuning to flatten power peaks; however, the progress achieved thus far strongly supports the conclusion that with further rod/assembly/core loading and placement optimization, Pu/Np-loaded TRISO fuel and core designs that are capable of balancing Pu/Np production and destruction can be designed within the standard constraints for thermal and reactivity performance in pressurized water reactors. C1 [Gentry, Cole; Maldonado, Ivan] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Godfrey, Andrew; Terrani, Kurt; Gehin, Jess; Powers, Jeffrey] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Gentry, C (reprint author), Univ Tennessee, Dept Nucl Engn, Pasqua Engn Bldg, Knoxville, TN 37996 USA. EM cgentry7@utk.edu OI Gehin, Jess/0000-0001-8337-9551; Powers, Jeffrey/0000-0003-3653-3880 FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725]; Office of Nuclear Energy at the DOE under the Fuel Cycle Research and Development program FX This manuscript has been authored under contract DE-AC05-00OR22725 with the U.S. Department of Energy (DOE). This work has been supported in part by the Office of Nuclear Energy at the DOE under the Fuel Cycle Research and Development program. NR 28 TC 0 Z9 0 U1 0 U2 7 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 APR PY 2014 VL 186 IS 1 BP 60 EP 75 PG 16 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AF8PI UT WOS:000334977700005 ER PT J AU Casella, AM Loyalka, SK Hanson, BD AF Casella, Andrew M. Loyalka, Sudarshan K. Hanson, Brady D. TI MODELING OF PARTICULATE BEHAVIOR IN PINHOLE BREACHES SO NUCLEAR TECHNOLOGY LA English DT Article DE pinhole; dry storage of used nuclear fuel; particulate release ID CONVECTION HEAT-TRANSFER; SPENT-FUEL ASSEMBLIES; ULTRAFINE CAPILLARIES; AEROSOL PENETRATION; NUCLEAR-FUEL; FLOW; MICROCHANNELS; PARTICLES; GASES; LEAKS AB A model is presented for calculating depressurization time for and particulate release from used nuclear fuel do; storage containers that have developed a pinhole breach. Particular attention is given to particulate deposition and transmission within the breach pathway. The model is modular in nature and is developed in a way that allows for more advanced treatments of internal temperature, internal component geometry, or aerosol flow to be readily incorporated. The model can be treated as a basis for addressing concerns associated with monitoring and verification efforts during long-term dry cask storage. C1 [Casella, Andrew M.] Pacific NW Natl Lab, Nucl Syst Design Engn & Anal Grp, Richland, WA 99352 USA. [Loyalka, Sudarshan K.] Univ Missouri, Nucl Sci & Engn Inst, Columbia, MO 65211 USA. [Loyalka, Sudarshan K.] Univ Missouri, Particulate Syst Res Ctr, Columbia, MO 65211 USA. [Hanson, Brady D.] Pacific NW Natl Lab, Nucl Chem & Engn Grp, Richland, WA 99352 USA. RP Casella, AM (reprint author), Pacific NW Natl Lab, Nucl Syst Design Engn & Anal Grp, Richland, WA 99352 USA. EM andrew.casella@pnnl.gov OI Casella, Andrew/0000-0002-4053-6593 FU DOE Office of Nuclear Energy, Science, and Technology FX This research was performed while A. M. Casella was under appointment to the U.S. Department of Energy (DOE) Nuclear Engineering and Health Physics Fellowship Program sponsored by the DOE Office of Nuclear Energy, Science, and Technology. NR 40 TC 1 Z9 1 U1 0 U2 1 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 APR PY 2014 VL 186 IS 1 BP 99 EP 114 PG 16 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AF8PI UT WOS:000334977700008 ER PT J AU Pimentel, H Parra, M Gee, S Ghanem, D An, XL Li, J Mohandas, N Pachter, L Conboy, JG AF Pimentel, Harold Parra, Marilyn Gee, Sherry Ghanem, Dana An, Xiuli Li, Jie Mohandas, Narla Pachter, Lior Conboy, John G. TI A dynamic alternative splicing program regulates gene expression during terminal erythropoiesis SO NUCLEIC ACIDS RESEARCH LA English DT Article ID ACTIN-BINDING DOMAIN; ERYTHROID-DIFFERENTIATION; PROTEIN 4.1; DISORDERED ERYTHROPOIESIS; MYOTONIC-DYSTROPHY; TERNARY COMPLEX; RNA-SEQ; IN-VIVO; MUTATIONS; SPECTRIN AB Alternative pre-messenger RNA splicing remodels the human transcriptome in a spatiotemporal manner during normal development and differentiation. Here we explored the landscape of transcript diversity in the erythroid lineage by RNA-seq analysis of five highly purified populations of morphologically distinct human erythroblasts, representing the last four cell divisions before enucleation. In this unique differentiation system, we found evidence of an extensive and dynamic alternative splicing program encompassing genes with many diverse functions. Alternative splicing was particularly enriched in genes controlling cell cycle, organelle organization, chromatin function and RNA processing. Many alternative exons exhibited differentiation-associated switches in splicing efficiency, mostly in late-stage polychromatophilic and orthochromatophilic erythroblasts, in concert with extensive cellular remodeling that precedes enucleation. A subset of alternative splicing switches introduces premature translation termination codons into selected transcripts in a differentiation stage-specific manner, supporting the hypothesis that alternative splicing-coupled nonsense-mediated decay contributes to regulation of erythroid-expressed genes as a novel part of the overall differentiation program. We conclude that a highly dynamic alternative splicing program in terminally differentiating erythroblasts plays a major role in regulating gene expression to ensure synthesis of appropriate proteome at each stage as the cells remodel in preparation for production of mature red cells. C1 [Pimentel, Harold; Pachter, Lior] Univ Calif Berkeley, Dept Comp Sci, Berkeley, CA 94720 USA. [Parra, Marilyn; Gee, Sherry; Ghanem, Dana; Conboy, John G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [An, Xiuli; Li, Jie; Mohandas, Narla] New York Blood Ctr, Red Cell Physiol Lab, New York, NY 10065 USA. [Pachter, Lior] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Pachter, Lior] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. RP Conboy, JG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. EM JGConboy@lbl.gov FU National Institutes of Health (NIH) [DK094699, DK032094]; Office of Science, and Office of Biological & Environmental Research of the US Department of Energy [DE-AC02-05CH1123] FX The National Institutes of Health (NIH) [DK094699 and DK032094]. Director, Office of Science, and Office of Biological & Environmental Research of the US Department of Energy under Contract No. DE-AC02-05CH1123. Funding for open access charge: NIH [DK094699]. NR 62 TC 29 Z9 29 U1 0 U2 13 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD APR PY 2014 VL 42 IS 6 BP 4031 EP 4042 DI 10.1093/nar/gkt1388 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AF5MW UT WOS:000334758600053 PM 24442673 ER PT J AU Kim, SJ Brandizzi, F AF Kim, Sang-Jin Brandizzi, Federica TI The Plant Secretory Pathway: An Essential Factory for Building the Plant Cell Wall SO PLANT AND CELL PHYSIOLOGY LA English DT Article DE Endocytosis; Exocyst complex; Microtubule-associated cellulose synthase complex (MASC); Pectin; Secretion; trans-Golgi network (TGN) ID CELLULOSE SYNTHASE; GOLGI-APPARATUS; PLASMA-MEMBRANE; SUSPENSION-CULTURE; ARABIDOPSIS; COMPLEX; EXOCYST; MICROTUBULES; TRAFFICKING; PECTIN AB For building and maintaining the complex structure of the surrounding wall throughout their life, plant cells rely on the endomembrane system, which functions as the main provider and transporter of cell wall constituents. Efforts to understand the mechanisms of synthesis and transport of cell wall materials have been generating valuable information for diverse practical applications. Nonetheless, the identity of the endomembrane components necessary for the transport of cell wall enzymes and polysaccharides is not well known. Evidence indicates that plant cells can accomplish secretion of cell wall constituents through multiple pathways during development or under stress conditions and, that compared with other eukaryotes, they rely on a highly diversified toolkit of proteins for membrane traffic. This suggests that production of the cell wall in plants consists of intricate and highly regulated pathways. In this review, we summarize important discoveries that have allowed the activities of the plant secretory pathway to be linked to the production and deposition of cell wall-synthesizing enzymes and polysaccharides. C1 [Kim, Sang-Jin; Brandizzi, Federica] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Brandizzi, Federica] Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. [Brandizzi, Federica] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. RP Brandizzi, F (reprint author), Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. EM fb@msu.edu FU DOE Great Lakes Bioenergy Research Center [DOE Office of Science BER] [DE-FC02-07ER64494] FX This work was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy [DE-FG02-91ER20021] for infrastructure; the DOE Great Lakes Bioenergy Research Center [DOE Office of Science BER DE-FC02-07ER64494]. NR 51 TC 21 Z9 21 U1 4 U2 64 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0032-0781 EI 1471-9053 J9 PLANT CELL PHYSIOL JI Plant Cell Physiol. PD APR PY 2014 VL 55 IS 4 SI SI BP 687 EP 693 DI 10.1093/pcp/pct197 PG 7 WC Plant Sciences; Cell Biology SC Plant Sciences; Cell Biology GA AF4KA UT WOS:000334679500003 PM 24401957 ER PT J AU Duque, ALH Perry, WL Anderson-Cook, CM AF Duque, Amanda L. Higginbotham Perry, William Lee Anderson-Cook, Christine M. TI Complex Microwave Permittivity of Secondary High Explosives SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Microwaves; Dielectric properties; High explosives ID DIELECTRIC MEASUREMENTS; CAVITY AB We aim to understand how microwaves interact with high explosives by studying the complex permittivity from 1-18GHz of HMX, RDX, TNT, TATB, PETN, Octol, Comp B, 95% RDX/5% Viton A (PBX-RDX), PBX 9404, PBXN-5, PBXN-7, PBXW-14, PBX 9501, and PBX 9502. The combination of a resonant cavity perturbation technique for determining the room-temperature complex dielectric constant at discrete frequencies and a wide band open circuit method (1-18GHz) provides an accurate, broadband measurement that describes the dielectric properties in the frequency range of interest. While the values of the real and imaginary permittivity components did not vary significantly as a function of frequency, we found the real part of the permittivity to be highly dependent on relatively small changes in the material density. We used dielectric mixing theory, specifically the linear-law approximation, to compare the predicted values based on the dielectric properties of individual components with those of the resulting formulation measured experimentally for a select number of samples; the prediction agrees well within the observed variability of the experimentally measured values. C1 [Duque, Amanda L. Higginbotham; Perry, William Lee; Anderson-Cook, Christine M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Duque, ALH (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM aduque@lanl.gov OI Duque, Amanda/0000-0002-2023-1389; Perry, William/0000-0003-1993-122X FU DOE Laboratory Directed Research and Development Program; Joint DoD/DOE Munitions Program; Joint Insensitive Munitions Technology Program FX This work was funded by the DOE Laboratory Directed Research and Development Program, the Joint DoD/DOE Munitions Program, and the Joint Insensitive Munitions Technology Program. The authors would like to thank Michael D. Janezic (NIST Boulder) for helpful discussions and experimental advice, and Dan Lanterman (NSWC-IHD) for providing samples. We would also like to acknowledge Alan M. Novak (LANL) for illustration and machining assistance, and David M. Oschwald for technical help. LA-UR-13-21819 NR 19 TC 5 Z9 5 U1 6 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD APR PY 2014 VL 39 IS 2 BP 275 EP 283 DI 10.1002/prep.201300032 PG 9 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA AF3LE UT WOS:000334613000018 ER PT J AU Gecys, P Markauskas, E Gedvilas, M Raciukaitis, G Repins, I Beall, C AF Gecys, Paulius Markauskas, Edgaras Gedvilas, Mindaugas Raciukaitis, Gediminas Repins, Ingrid Beall, Carolyn TI Ultrashort pulsed laser induced material lift-off processing of CZTSe thin-film solar cells SO SOLAR ENERGY LA English DT Article DE Kesterite; CZTSe; Lift-off; Thin-film; Spallation; Picosecond laser ID FABRICATION; TRANSITION; PICOSECOND; EFFICIENCY; ABLATION AB The thin-film Cu-chalcopyrite-based solar cell technologies are becoming more attractive due to their lower cost and optimal performance. High efficiency of small cells might be maintained with the transition to larger areas if small segments are interconnected in series in order to reduce photocurrent in thin films and resistance losses. Interconnect formation is based on three step scribing processes and use of laser is thus crucial for performance of the device. For the first time we demonstrate the possibility to scribe the CZTSe thin-film solar cell structures with picosecond lasers. Investigations on the material lift-off effect in the CZTSe thin film were performed and the method was approved for the damage-free front-side scribing processes. Single pulse ablation and scribing experiments in the thin-film solar cell structures together with theoretical modeling of laser energy coupling in the complex CZTSe structure are presented. We found that the absorber layer removal process was triggered by a micro-explosive effect induced by high pressure of sublimated material due to temperature increase in molybdenum-CZTSe interface. This facilitated to minimize the remaining thermal effects since the laser-affected material was removed by thermo-mechanical process. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Gecys, Paulius; Markauskas, Edgaras; Gedvilas, Mindaugas; Raciukaitis, Gediminas] Ctr Phys Sci & Technol, LT-02300 Vilnius, Lithuania. [Repins, Ingrid; Beall, Carolyn] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Gecys, P (reprint author), Ctr Phys Sci & Technol, Savanoriu Ave 231, LT-02300 Vilnius, Lithuania. EM p.gecys@ar.fi.lt; edgaras.markauskas@ff.stud.vu.lt; mgedvilas@ar.fi.lt; graciukaitis@ar.fi.lt; Ingrid.Repins@nrel.gov; Carolyn.Beall@nrel.gov OI Gedvilas, Mindaugas/0000-0001-9793-8537 FU National Program "An improvement of the skills of researchers" [VP1-3.1-SMM-08-K-01-009] FX The work was carried out within the project VP1-3.1-SMM-08-K-01-009 that is partly supported by the National Program "An improvement of the skills of researchers" launched by the Lithuanian Ministry of Education and Science. NR 44 TC 12 Z9 13 U1 1 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD APR PY 2014 VL 102 BP 82 EP 90 DI 10.1016/j.solener.2014.01.013 PG 9 WC Energy & Fuels SC Energy & Fuels GA AF1LT UT WOS:000334476100007 ER PT J AU Painter, SL Karra, S AF Painter, Scott L. Karra, Satish TI Constitutive Model for Unfrozen Water Content in Subfreezing Unsaturated Soils SO VADOSE ZONE JOURNAL LA English DT Article ID FROZEN SOIL; HEAT; PARAMETERIZATION; VARIABILITY; SYSTEM; SNOW; CLAY AB A new constitutive relationship for phase partitioning of water in frozen soils is proposed. This relationship extends to unsaturated conditions established relationships for gas-free conditions by smoothing a thermodynamically derived relationship to eliminate a jump discontinuity at the freezing temperature. This relationship is shown to compare well with experimental data on unfrozen water content as a function of temperature for different total water content values. Using this new relationship, a modified nonisothermal Richards equation is solved for flow in freezing soil. The results based on this modified Richards equation are shown to compare well with data from two different column experiments. C1 [Painter, Scott L.; Karra, Satish] Los Alamos Natl Lab, Computat Earth Sci Grp EES 16, Los Alamos, NM 87545 USA. RP Painter, SL (reprint author), Los Alamos Natl Lab, Computat Earth Sci Grp EES 16, MS T003, Los Alamos, NM 87545 USA. EM spainter@lanl.gov RI Painter, Scott/C-2586-2016; OI Painter, Scott/0000-0002-0901-6987; Karra, Satish/0000-0001-7847-6293 FU Los Alamos National Laboratory [LDRD201200068DR]; Next-Generation Ecosystem Experiments (NGEE Arctic) project; Office of Biological and Environmental Research in the DOE Office of Science FX This work was supported by LDRD201200068DR project funded by Los Alamos National Laboratory and by the Next-Generation Ecosystem Experiments (NGEE Arctic) project. The Next-Generation Ecosystem Experiments (NGEE Arctic) project is supported by the Office of Biological and Environmental Research in the DOE Office of Science. The authors are grateful to Ed Perfect and Mark Seyfried for constructive suggestions for improving the manuscript. NR 33 TC 16 Z9 16 U1 5 U2 34 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 APR PY 2014 VL 13 IS 4 DI 10.2136/vzj2013.04.0071 PG 8 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA AF7WZ UT WOS:000334927400001 ER PT J AU Li, Z Haynes, R Sato, E Shields, MS Fujita, Y Sato, C AF Li, Zhen Haynes, Rishika Sato, Eugene Shields, Malcolm S. Fujita, Yoshiko Sato, Chikashi TI Microbial Community Analysis of a Single Chamber Microbial Fuel Cell Using Potato Wastewater SO WATER ENVIRONMENT RESEARCH LA English DT Article DE microbial fuel cell; potato wastewater; terminal restriction fragment length polymorphism; 16S ribosomal DNA ID ELECTRICITY-GENERATION; FE(III)-REDUCING BACTERIUM; GEOBACTER-SULFURREDUCENS; REDUCTION; DIVERSITY; MICROORGANISMS; DEGRADATION; EFFICIENCY; ENERGY AB Microbial fuel cells (MFCs) convert chemical energy to electrical energy via bio-electrochemical reactions mediated by microorganisms. This study investigated the diversity of the microbial community in an air cathode single chamber MFC that used potato-process wastewater as substrate. Terminal restriction fragment length polymorphism results indicated that the bacterial communities on the anode, cathode, control electrode, and MFC bulk fluid were similar, but differed dramatically from that of the anaerobic domestic sludge and potato wastewater inoculum. The 16S ribosomal DNA sequencing results showed that microbial species detected on the anode were predominantly within the phyla of Proteobacteria, Firmicutes, and Bacteroidetes. Fluorescent microscopy results indicated that there was a clear enhancement of biofilm formation on the anode. Results of this study could help improve understanding of the complexity of microbial communities and optimize the microbial composition for generating electricity by MFCs that use potato wastewater. C1 [Li, Zhen; Haynes, Rishika; Sato, Eugene; Sato, Chikashi] Idaho State Univ, Coll Sci & Engn, Pocatello, ID 83209 USA. [Shields, Malcolm S.] Siemens Clin Lab, Berkeley, CA USA. [Fujita, Yoshiko] Idaho Natl Lab, Idaho Falls, ID USA. RP Li, Z (reprint author), Idaho State Univ, Coll Sci & Engn, Pocatello, ID 83209 USA. EM lizhen@isu.edu RI Fujita, Yoshiko/S-2007-2016 OI Fujita, Yoshiko/0000-0002-4472-4102 FU DOE [FY07_CAES_LDRD, 00043028] FX The authors gratefully acknowledge the technical assistance of M. Cherry. Support for this research was provided under DOE grant: FY07_CAES_LDRD (Agreement No. 00043028). We would also like to thank Erin O'Leary-Jepsen and Christine Ryan at Idaho State University Molecular Research Core Facility for the DNA sequencing. NR 40 TC 7 Z9 7 U1 3 U2 41 PU WATER ENVIRONMENT FEDERATION PI ALEXANDRIA PA 601 WYTHE ST, ALEXANDRIA, VA 22314-1994 USA SN 1061-4303 EI 1554-7531 J9 WATER ENVIRON RES JI Water Environ. Res. PD APR PY 2014 VL 86 IS 4 BP 324 EP 330 DI 10.2175/106143013X13751480308641 PG 7 WC Engineering, Environmental; Environmental Sciences; Limnology; Water Resources SC Engineering; Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA AF3CZ UT WOS:000334590400005 PM 24851328 ER PT J AU Farr, R Choi, DS Lee, SW AF Farr, Rebecca Choi, Dong Shin Lee, Seung-Wuk TI Phage-based nanomaterials for biomedical applications SO ACTA BIOMATERIALIA LA English DT Review DE Virus; Bionanomedicine; Phage therapy; Drug delivery; Tissue engineering ID ESCHERICHIA-COLI O157-H7; M13 THIN-FILMS; DRUG-DELIVERY; THERAPEUTIC APPLICATIONS; STAPHYLOCOCCUS-AUREUS; BACTERIOPHAGE THERAPY; VIRAL NANOPARTICLES; FILAMENTOUS PHAGE; PEPTIDE LIBRARIES; RATIONAL DESIGN AB Recent advances in nanotechnology enable us to manipulate and produce materials with molecular level control. In the newly emerging field of bionanomedicine, it is essential to precisely control the physical, chemical and biological properties of materials. Among other biological building blocks, viruses are a promising nanomaterial that can be functionalized with great precision. Since the production of viral particles is directed by the genetic information encapsulated in their protein shells, the viral particles create precisely defined sizes and shapes. In addition, the composition and surface properties of the particles can be controlled through genetic engineering and chemical modification. In this manuscript, we review the advances of virus-based nanomaterials for biomedical applications in three different areas: phage therapy, drug delivery and tissue engineering. By exploiting and manipulating the original functions of viruses, viral particles hold great possibilities in these biomedical applications to improve human health. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Lee, Seung-Wuk] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Lee, SW (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. EM leesw@berkeley.edu FU National Science Foundation [DMR-0747713]; Kwanjeong Educational Foundation FX This work was supported by the National Science Foundation Early Career Development Award (DMR-0747713). D.S.C. acknowledges the support from Kwanjeong Educational Foundation. NR 135 TC 13 Z9 13 U1 7 U2 92 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 EI 1878-7568 J9 ACTA BIOMATER JI Acta Biomater. PD APR PY 2014 VL 10 IS 4 BP 1741 EP 1750 DI 10.1016/j.actbio.2013.06.037 PG 10 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA AE6WC UT WOS:000334137700024 PM 23823252 ER PT J AU Smetana, V Corbett, JD Miller, GJ AF Smetana, Volodymyr Corbett, John D. Miller, Gordon J. TI MgAuGa and MgAu2Ga: first representatives of the Mg-Au-Ga system SO ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY LA English DT Article DE crystal structure; ternary phase; Mg-Au-Ga system; Fe2P structure type; hexagonal Na3As structure type; MgAuGa; MgAu2Ga ID GOLD-GALLIUM AB MgAuGa (magnesium gold gallium), the first ternary representative of the Mg-Au-Ga system, crystallizes in the space group P (6) over bar 2m and adopts the Fe2P structure type (Pearson symbol hP9). Various phases with the general composition AB(2) have been reported in the surrounding binary systems, viz. Mg2Ga (hP18), MgGa2 (hP6; CaIn2 type), AuGa2 (cF12; CaF2 type), Au2Ga (oS24; Pd2As type) and Mg2Au (oP12; Co2Si type). In principle, MgAuGa can be obtained from each of them by partial replacement of the major element with the missing element. In fact, the structure of MgAuGa closely resembles hexagonal Mg2Ga through a direct group-subgroup relationship. MgAu2Ga (magnesium digold gallium) also crystallizes hexagonally in the space group P6(3)/mmc and is isotypic with Na3As. It adopts the structure of another binary compound, viz. Mg3Au (hP8), but shows an unexpected distribution of Mg, Au, and Ga among the atomic positions of the asymmetric unit. Both MgAuGa and MgAu2Ga can be described as formally anionic Au/Ga frameworks, with pseudo-hexagonal tunnels around Mg in MgAuGa or cages in MgAu2Ga. C1 [Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.] Iowa State Univ, Ames Lab DOE, Ames, IA 50011 USA. RP Smetana, V (reprint author), Iowa State Univ, Ames Lab DOE, Ames, IA 50011 USA. EM smetana@ameslab.gov RI Smetana, Volodymyr/C-1340-2015; OI Smetana, Volodymyr/0000-0003-0763-1457 FU Office of Basic Energy Sciences, Materials Sciences Division, US Department of Energy (DOE); DOE [DE-AC02-07CH11358] FX This research was supported by the Office of Basic Energy Sciences, Materials Sciences Division, US Department of Energy (DOE). Ames Laboratory is operated for the DOE by Iowa State University under contract No. DE-AC02-07CH11358. NR 22 TC 0 Z9 0 U1 2 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0108-2701 EI 1600-5759 J9 ACTA CRYSTALLOGR C JI Acta Crystallogr. Sect. C-Struct. Chem. PD APR PY 2014 VL 70 BP 355 EP + DI 10.1107/S205322961400566X PN 4 PG 12 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA AE5SX UT WOS:000334050600003 PM 24705047 ER PT J AU Gao, PW Sun, LL Ni, N Guo, J Wu, Q Zhang, C Gu, DC Yang, K Li, AG Jiang, S Cava, RJ Zhao, ZX AF Gao, Peiwen Sun, Liling Ni, Ni Guo, Jing Wu, Qi Zhang, Chao Gu, Dachun Yang, Ke Li, Aiguo Jiang, Sheng Cava, Robert Joseph Zhao, Zhongxian TI Pressure-Induced Superconductivity and Its Scaling with Doping-Induced Superconductivity in the Iron Pnictidewith Skutterudite Intermediary Layers SO ADVANCED MATERIALS LA English DT Article DE superconducting materials; iron pnictide; high pressure study ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; METAL-INSULATOR TRANSITIONS C1 [Gao, Peiwen; Sun, Liling; Guo, Jing; Wu, Qi; Zhang, Chao; Gu, Dachun; Zhao, Zhongxian] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Gao, Peiwen; Sun, Liling; Guo, Jing; Wu, Qi; Zhang, Chao; Gu, Dachun; Zhao, Zhongxian] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Ni, Ni; Cava, Robert Joseph] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. [Ni, Ni] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Ni, Ni] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Yang, Ke; Li, Aiguo; Jiang, Sheng] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China. RP Sun, LL (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. EM llsun@iphy.ac.cn; zhxzhao@iphy.ac.cn FU NSCF [11074294, 11204059]; 973 projects [2011CBA00100, 2010CB923000]; Chinese Academy of Sciences; AFOSR MURI [FA9550-09-1-0593] FX This work in China was supported by the NSCF (Grant No. 11074294 and 11204059), 973 projects (Grant No. 2011CBA00100 and 2010CB923000) and Chinese Academy of Sciences. The work in the USA has been supported by the AFOSR MURI on superconductivity, grant FA9550-09-1-0593. Dr. Ni acknowledges the Marie Curie Fellowship at Los Alamos National Laboratory. NR 30 TC 8 Z9 8 U1 4 U2 73 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD APR PY 2014 VL 26 IS 15 BP 2346 EP 2351 DI 10.1002/adma.201305154 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 AE7ME UT WOS:000334181400007 PM 24847529 ER PT J AU Chen, X Nanstad, RK Sokolov, MA Manneschmidt, ET AF Chen, Xiang Frank Nanstad, Randy K. Sokolov, Mikhail A. Manneschmidt, Eric T. TI Determining Ductile Fracture Toughness in Metals SO ADVANCED MATERIALS & PROCESSES LA English DT Article ID CRACK-GROWTH; POTENTIAL METHOD; CALIBRATION C1 [Chen, Xiang Frank; Nanstad, Randy K.; Sokolov, Mikhail A.; Manneschmidt, Eric T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. RP Chen, X (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. OI Chen, Xiang/0000-0002-8662-5209 FU U.S. DOE [DE-AC05-00OR22725] FX This manuscript was authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. DOE. The United States Government retains, and the publisher acknowledges, that the 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 government purposes. NR 15 TC 1 Z9 1 U1 0 U2 0 PU ASM INT PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 EI 2161-9425 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD APR PY 2014 VL 172 IS 4 BP 19 EP 23 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA AF2QH UT WOS:000334556200004 ER PT J AU Kajimoto, M Priddy, CMO Ledee, DR Xu, C Isern, N Olson, AK Portman, MA AF Kajimoto, Masaki Priddy, Colleen M. O'Kelly Ledee, Dolena R. Xu, Chun Isern, Nancy Olson, Aaron K. Portman, Michael A. TI Effects of continuous triiodothyronine infusion on the tricarboxylic acid cycle in the normal immature swine heart under extracorporeal membrane oxygenation in vivo SO AMERICAN JOURNAL OF PHYSIOLOGY-HEART AND CIRCULATORY PHYSIOLOGY LA English DT Article DE cardiac metabolism; extracorporeal circulation; fatty acids; pediatrics; thyroid hormone; citric acid cycle ID CARDIOPULMONARY BYPASS; C-13-ISOTOPOMER ANALYSIS; CARDIAC METABOLISM; REPERFUSION; FAILURE; SUPPORT; CHILDREN; PYRUVATE; GCMS; NMR AB Extracorporeal membrane oxygenation (ECMO) is frequently used in infants with postoperative cardiopulmonary failure. ECMO also suppresses circulating triiodothyronine (T-3) levels and modifies myocardial metabolism. We assessed the hypothesis that T-3 supplementation reverses ECMO-induced metabolic abnormalities in the immature heart. Twenty-two male Yorkshire pigs (age: 25-38 days) with ECMO received [2-C-13] lactate, [2,4,6,8-C-13(4)]octanoate (medium-chain fatty acid), and [U-C-13]long-chain fatty acids as metabolic tracers either systemically (totally physiological intracoronary concentration) or directly into the coronary artery (high substrate concentration) for the last 60 min of each protocol. NMR analysis of left ventricular tissue determined the fractional contribution of these substrates to the tricarboxylic acid cycle. Fifty percent of the pigs in each group received intravenous T-3 supplement (bolus at 0.6 mu g/kg and then continuous infusion at 0.2 mu g.kg(-1).h(-1)) during ECMO. Under both substrate loading conditions, T-3 significantly increased the fractional contribution of lactate with a marginal increase in the fractional contribution of octanoate. Both T-3 and high substrate provision increased the myocardial energy status, as indexed by phosphocreatine concentration/ATP concentration. In conclusion, T-3 supplementation promoted lactate metabolism to the tricarboxylic acid cycle during ECMO, suggesting that T-3 releases the inhibition of pyruvate dehydrogenase. Manipulation of substrate utilization by T-3 may be used therapeutically during ECMO to improve the resting energy state and facilitate weaning. C1 [Kajimoto, Masaki; Priddy, Colleen M. O'Kelly; Ledee, Dolena R.; Xu, Chun; Olson, Aaron K.; Portman, Michael A.] Seattle Childrens Res Inst, Ctr Dev Therapeut, Seattle, WA 98101 USA. [Priddy, Colleen M. O'Kelly] Univ Washington, Dept Surg, Seattle, WA 98195 USA. [Isern, Nancy] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Olson, Aaron K.; Portman, Michael A.] Univ Washington, Dept Pediat, Div Cardiol, Seattle, WA 98195 USA. RP Portman, MA (reprint author), Seattle Childrens Res Inst, 1900 9th Ave, Seattle, WA 98101 USA. EM michael.portman@seattlechildrens.org FU National Heart, Lung, and Blood Institute [HL-60666]; Department of Energy's Office of Biological and Environmental Research FX This work was supported by National Heart, Lung, and Blood Institute Grant HL-60666 (to M. A. Portman). A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 20 TC 6 Z9 6 U1 0 U2 4 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0363-6135 EI 1522-1539 J9 AM J PHYSIOL-HEART C JI Am. J. Physiol.-Heart Circul. Physiol. PD APR PY 2014 VL 306 IS 8 BP H1164 EP H1170 DI 10.1152/ajpheart.00964.2013 PG 7 WC Cardiac & Cardiovascular Systems; Physiology; Peripheral Vascular Disease SC Cardiovascular System & Cardiology; Physiology GA AF3FI UT WOS:000334596500007 PM 24531815 ER PT J AU Cernok, A Ballaran, TB Caracas, R Miyajima, N Bykova, E Prakapenka, V Liermann, HP Dubrovinsky, L AF Cernok, Ana Ballaran, Tiziana Boffa Caracas, Razvan Miyajima, Nobuyoshi Bykova, Elena Prakapenka, Vitali Liermann, Hanns-Peter Dubrovinsky, Leonid TI Pressure-induced phase transitions in coesite SO AMERICAN MINERALOGIST LA English DT Article DE Silica; coesite; high-pressure polymorph; metastable; diamond-anvil cell; high-pressure Raman spectra ID INDUCED AMORPHIZATION; HYDROXYL SOLUBILITY; KOKCHETAV MASSIF; ALPHA-QUARTZ; SILICA; DIAMOND; TRANSFORMATION; COMPRESSION; INCLUSIONS; KAZAKSTAN AB High-pressure behavior of coesite was studied on single crystals using diamond-anvil cells with neon as the pressure-transmitting medium by means of in situ Raman spectroscopy up to pressures of similar to 51 GPa. The experimental observations were complemented with theoretical computations of the Raman spectra under similar pressure conditions. We find that coesite undergoes two phase transitions and does not become amorphous at least up to similar to 51 GPa. The first phase transition (coesite 1 to coesite II) is reversible and occurs around 23 GPa. The second transition (coesite II to coesite III) at about 35 GPa is also reversible but involves a large hysteresis. Samples recovered from the highest pressure achieved. similar to 51 GPa. show Raman spectra of the initial coesite. The ab initio calculations gave insight into the initiation mechanism of the first phase transition, implying, from the analysis of unstable phonon modes, that it is probably a displacive phase transition due to shearing of the four-membered rings of SiO4 tetrahedra upon compression. The transition to the lowest-symmetry phase, coesite III, is possibly a first-order phase transition that leads to a very distinct structure. None of the metastable high-pressure phases of coesite has been previously studied and it was widely accepted that coesite undergoes pressure-induced amorphization at significantly lower pressures (30 GPa). The study of the high-pressure behavior of coesite is important to better constrain the metastable phase diagram of silica. Further crystallographic investigations are necessary for characterizing the structures of these metastable coesite forms. Crystalline or amorphous metastable phases derived from coesite under high-pressure conditions are of particular interest because they can be used as potential tracers of peak transient pressures (stress) reached in processes such as impacts or faulting. C1 [Cernok, Ana; Ballaran, Tiziana Boffa; Miyajima, Nobuyoshi; Bykova, Elena; Dubrovinsky, Leonid] Univ Bayreuth, Bayer Geoinst, D-95440 Bayreuth, Germany. [Caracas, Razvan] Ecole Normale Super Lyon 46, Ctr Natl Rech Sci, Lab Geol Lyon LGLTPE, UMR 5276, F-69364 Lyon, France. [Prakapenka, Vitali] Univ Chicago, Argonne Natl Lab, Ctr Adv Radiat Sources, Argonne, IL 60439 USA. [Liermann, Hanns-Peter] Deutsch Elektronen Synchrotron DESY, D-22607 Hamburg, Germany. RP Cernok, A (reprint author), Univ Bayreuth, Bayer Geoinst, Univ Str 30, D-95440 Bayreuth, Germany. EM Ana.Cernok@uni-bayreuth.de FU Bavarian Elite Network (ENB) Graduate Program "Oxides"; DARI [x2013106368]; GeoSoilEnviroCARS (Sector 13); National Science Foundation. Earth Sciences [EAR-1128799]; Department of Energy, Geosciences [DE-FG02-94ER14466] FX We very much appreciate the assistance of Stefan Ubelhack. who manufactured the insulation box for our experiments Hubert Schulze is gratefully acknowledged for the sample preparation and Sven Linhardt for his help in experiments with electrical heating We are grateful to Andreas Audetat for providing the starting glass material and helping us analyze it using LA-ICP-MS. This work was funded as a part of Bavarian Elite Network (ENB) Graduate Program "Oxides." The first-principles calculations were done on the jade machine of CINES, under DARI grant x2013106368. Portions of this research were carried out at the light source PETRA 111 at DESY, a member of the Helmholtz Association (HGF). We acknowledge the support of GeoSoilEnviroCARS (Sector 13), which is supported by the National Science Foundation, Earth Sciences (EAR-1128799), and the Department of Energy, Geosciences (DE-FG02-94ER14466). All authors are thankful for the useful comments of Joseph Smyth and the anonymous reviewer, which helped us improve the quality of the manuscript. NR 48 TC 3 Z9 4 U1 3 U2 34 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 APR PY 2014 VL 99 IS 4 BP 755 EP 763 DI 10.2138/am.2014.4585 PG 9 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA AE3MY UT WOS:000333881800024 ER PT J AU Dobrzhinetskaya, LF Wirth, R Yang, JS Green, HW Hutcheon, ID Weber, PK Grew, ES AF Dobrzhinetskaya, Larissa F. Wirth, Richard Yang, Jingsui Green, Harry W. Hutcheon, Ian D. Weber, Peter K. Grew, Edward S. TI Qingsongite, natural cubic boron nitride: The first boron mineral from the Earth's mantle SO AMERICAN MINERALOGIST LA English DT Article DE Cubic boron nitride; deep mantle; crustal boron; mantle nitrogen ID HIGH-PRESSURE; LUOBUSA OPHIOLITE; PODIFORM CHROMITITES; PHASE-DIAGRAM; THERMODYNAMIC PROPERTIES; SYNCHROTRON-RADIATION; PHENGITIC MUSCOVITE; NITROGEN RECORD; SOUTHERN TIBET; HEAT-CAPACITY AB Qingsongite (IMA 2013-30) is the natural analog of cubic boron nitride (c-BN), which is widely used as an abrasive under the name "Borazon." The mineral is named for Qingsong Fang (1939-2010), who found the first diamond in the Luobusa chromitite. Qingsongite occurs in a rock fragment less than I mm across extracted from chromitite in deposit 31. Luobusa ophiolite, Yarlung Zangbu suture, southern Tibet at 29 degrees 13.86N and 92 degrees 11.41E. Five electron microprobe analyses gave B 48.54 +/- 0.65 wt% (range 47.90-49.2 wt%); N 51.46 +/- 0.65 wt% (range 52.10-50.8 wt%), corresponding to B1.113N0 887 and B1 087N0 913, for maximum and minimum B contents, respectively (based on 2 atoms per formula unit); no other elements that could substitute for B or N were detected. Crystallographic data on qingsongite obtained using fast Fourier transforms gave cubic symmetry, a = 3.61 +/- 0.045 angstrom. The density calculated for the mean composition B1100N0 900 is 3.46 g/cm(3), i.e., qingsongite is nearly identical to synthetic c-BN. The synthetic analog has the sphalerite structure, space group F (4) over bar 3m. Mohs hardness of the synthetic analog is between 9 and 10; its cleavage is {011}. Qingsongite forms isolated anhedral single crystals up to 1 mu m in size in the marginal zone of the fragment; this zone consists of similar to 45 modal% coesite, similar to 15% kyanite, and similar to 40% amorphous material. Qingsongite is enclosed in kyanite, coesite, or in osbomite; other associated phases include native Fe; TiO2 II, a high-pressure polymorph of rutile with the alpha PbO2 structure; boron carbide of unknown stoichiometry; and amorphous carbon. Coesite forms prisms several tens of micrometers long, but is polycrystalline, and thus interpreted to be pseudomorphic after stishovite. Associated minerals constrain the estimated pressure to 10-15 GPa assuming temperature was about 1300 degrees C. Our proposed scenario for formation of qingsongite begins with a pelitic rock fragment that was subducted to mid-mantle depths where crustal B originally present in mica or clay combined with mantle N (delta N-15 = -10.4 +/- 3 parts per thousand in osbomite) and subsequently exhumed by entrainment in chromitite. The presence of qingsongite has implications for understanding the recycling of crustal material back to the Earth's mantle since boron, an essential constituent of qingsongite. is potentially an ideal tracer of material from Earth's surface. C1 [Dobrzhinetskaya, Larissa F.; Green, Harry W.] Univ Calif Riverside, Dept Earth Sci, Riverside, CA 92521 USA. [Wirth, Richard] GFZ German Res Ctr Geosci, Helmholtz Ctr Potsdam, D-14473 Potsdam, Germany. [Yang, Jingsui] Chinese Acad Geol Sci, Inst Geol, Key Lab Continental Dynam, Beijing 100037, Peoples R China. [Hutcheon, Ian D.; Weber, Peter K.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Livermore, CA 94550 USA. [Grew, Edward S.] Univ Maine, Bryand Global Sci Ctr 5790, Sch Earth & Climate Sci, Orono, ME 04469 USA. RP Dobrzhinetskaya, LF (reprint author), Univ Calif Riverside, Dept Earth Sci, 900 Univ Ave, Riverside, CA 92521 USA. EM larissa@ucr.edu FU NSF [EAR 1118796]; Lab Fee Research Award from the University of California [09-LR-05-116946-DOBL]; Chinese National Science Foundation; China Geological Survey FX We thank S. Yamamoto and Y. Sano (The Unisersity of Tokyo. Japan) and S. Maruyama (The Tokyo Institute of Technology. Japan) for their fruitful discussions of the significance of ultrahigh-pressure minerals in mantle section of ophiolitc and nitrogen reservoirs in deep Earth. L. Dubrovisnky and A. El Goresy (The University of Bayreuth. Germany) are acknowledged for stimulating discussions of the laboratory synthesis and conditions for natural formations of the oshomite and cubic boron nitride. Members of the IMA Commission on New Minerals, Nomenclature and Classification are thanked for their comments on the new-mineral proposal submitted for approval by the commission Monika Koch-M tiller and an anonymous reviewer are thanked for their constructive comments on an earlier version of the manuscript The project was supported by the NSF grant EAR 1118796 to L.F.D. and H.W.G., and the Lab Fee Research Award (No 09-LR-05-116946-DOBL) from the University of California to L.F.D., H.W G., I.D.H., and P.K W. The research is also a pan of the activity of Task Force IV of the International Lithosphere Program. The portion of the study related to sample collection and heavy minerals separation was partially supported by the Chinese National Science Foundation and the China Geological Survey to J S.Y. NR 74 TC 14 Z9 17 U1 1 U2 23 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 APR PY 2014 VL 99 IS 4 BP 764 EP 772 DI 10.2138/am.2014.4714 PG 9 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA AE3MY UT WOS:000333881800025 ER PT J AU Bellm, EC Barriere, NM Bhalerao, V Boggs, SE Cenko, SB Christensen, FE Craig, WW Forster, K Fryer, CL Hailey, CJ Harrison, FA Horesh, A Kouveliotou, C Madsen, KK Miller, JM Ofek, EO Perley, DA Rana, VR Reynolds, SP Stern, D Tomsick, JA Zhang, WW AF Bellm, Eric C. Barriere, Nicolas M. Bhalerao, Varun Boggs, Steven E. Cenko, S. Bradley Christensen, Finn E. Craig, William W. Forster, Karl Fryer, Chris L. Hailey, Charles J. Harrison, Fiona A. Horesh, Assaf Kouveliotou, Chryssa Madsen, Kristin K. Miller, Jon M. Ofek, Eran O. Perley, Daniel A. Rana, Vikram R. Reynolds, Stephen P. Stern, Daniel Tomsick, John A. Zhang, William W. TI X-RAY SPECTRAL COMPONENTS OBSERVED IN THE AFTERGLOW OF GRB 130925A SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE gamma-ray burst: individual (GRB 130925A) ID MASSIVE BLACK-HOLE; SUPERNOVA; BURSTS; STAR; EMISSION; SEARCH; SIGNATURES; COLLAPSARS; ACCRETION; OUTBURST AB We have identified spectral features in the late-time X-ray afterglow of the unusually long, slow-decaying GRB 130925A using NuSTAR, Swift/X-Ray Telescope, and Chandra. A spectral component in addition to an absorbed power law is required at >4 sigma significance, and its spectral shape varies between two observation epochs at 2 x 10(5) and 10(6) s after the burst. Several models can fit this additional component, each with very different physical implications. A broad, resolved Gaussian absorption feature of several keV width improves the fit, but it is poorly constrained in the second epoch. An additive blackbody or second power-law component provide better fits. Both are challenging to interpret: the blackbody radius is near the scale of a compact remnant (10(8) cm), while the second power-law component requires an unobserved high-energy cutoff in order to be consistent with the non-detection by Fermi/Large Area Telescope. C1 [Bellm, Eric C.; Forster, Karl; Harrison, Fiona A.; Madsen, Kristin K.; Perley, Daniel A.; Rana, Vikram R.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Barriere, Nicolas M.; Boggs, Steven E.; Craig, William W.; Tomsick, John A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Bhalerao, Varun] Interuniv Ctr Astron & Astrophys, Pune 411007, Maharashtra, India. [Cenko, S. Bradley; Zhang, William W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Christensen, Finn E.] Tech Univ Denmark, DTU Space Natl Space Inst, DK-2800 Lyngby, Denmark. [Craig, William W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fryer, Chris L.] Los Alamos Natl Lab, CCS 2, Los Alamos, NM 87545 USA. [Hailey, Charles J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Horesh, Assaf; Ofek, Eran O.] Weizmann Inst Sci, Benoziyo Ctr Astrophys, IL-76100 Rehovot, Israel. [Kouveliotou, Chryssa] NASA, George C Marshall Space Flight Ctr, Astrophys Off ZP12, Huntsville, AL 35812 USA. [Miller, Jon M.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Reynolds, Stephen P.] NC State Univ, Dept Phys, Raleigh, NC 27695 USA. [Stern, Daniel] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Bellm, EC (reprint author), CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. EM ebellm@caltech.edu RI Boggs, Steven/E-4170-2015; Horesh, Assaf/O-9873-2016; OI Boggs, Steven/0000-0001-9567-4224; Horesh, Assaf/0000-0002-5936-1156; Bhalerao, Varun/0000-0002-6112-7609; Madsen, Kristin/0000-0003-1252-4891; Rana, Vikram/0000-0003-1703-8796 FU NASA [NNG08FD60C]; National Aeronautics and Space Administration FX This work was supported under NASA contract No. NNG08FD60C and uses data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations team for executing the target of opportunity observations. This research has used the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). These results are based in part on observations made by the Chandra X-ray Observatory. We thank the Chandra director for granting discretionary time and the Chandra team for prompt execution of the observations. NR 47 TC 10 Z9 10 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD APR 1 PY 2014 VL 784 IS 2 AR L19 DI 10.1088/2041-8205/784/2/L19 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AD5ZX UT WOS:000333333400002 ER PT J AU Beresnyak, A AF Beresnyak, Andrey TI SPECTRA OF STRONG MAGNETOHYDRODYNAMIC TURBULENCE FROM HIGH-RESOLUTION SIMULATIONS SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE magnetohydrodynamics (MHD); turbulence ID ALFVENIC TURBULENCE; INERTIAL-RANGE AB Magnetohydrodynamic (MHD) turbulence is present in a variety of solar and astrophysical environments. Solar wind fluctuations with frequencies lower than 0.1 Hz are believed to be mostly governed by Alfvenic turbulence with particle transport depending on the power spectrum and the anisotropy of such turbulence. Recently, conflicting spectral slopes for the inertial range of MHD turbulence have been reported by different groups. Spectral shapes from earlier simulations showed that MHD turbulence is less scale-local compared with hydrodynamic turbulence. This is why higher-resolution simulations, and careful and rigorous numerical analysis is especially needed for the MHD case. In this Letter, we present two groups of simulations with resolution up to 40963, which are numerically well-resolved and have been analyzed with an exact and well-tested method of scaling study. Our results from both simulation groups indicate that the asymptotic power spectral slope for all energy-related quantities, such as total energy and residual energy, is around -1.7, close to Kolmogorov's -5/3. This suggests that residual energy is a constant fraction of the total energy and that in the asymptotic regime of Alfvenic turbulence magnetic and kinetic spectra have the same scaling. The -1.5 slope for energy and the -2 slope for residual energy, which have been suggested earlier, are incompatible with our numerics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Beresnyak, A (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM andrey.at.astro@gmail.com OI Beresnyak, Andrey/0000-0002-2124-7024 FU DOE [DE-AC02-06CH11357] FX The author was supported though the DOE LDRD program, while computer time was provided by the DOE INCITE program. This research used resources of the ALCF at Argonne National Laboratory, which is supported by the DOE under contract DE-AC02-06CH11357. We thank our ALCF Catalyst Tim Williams for the technical help. Our special thanks go to Dmitry Pekurovsky, who wrote a customized version of his P3DFFT library (Pekurovsky 2012) which made 40963 MHD simulations possible. Some of the data will be publicly released in the J. H. University database (http://turbulence.pha.jhu.edu/) at a future date. NR 32 TC 18 Z9 18 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD APR 1 PY 2014 VL 784 IS 2 AR L20 DI 10.1088/2041-8205/784/2/L20 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AD5ZX UT WOS:000333333400003 ER PT J AU Ahn, CP Alexandroff, R Prieto, CA Anders, F Anderson, SF Anderton, T Andrews, BH Aubourg, E Bailey, S Bastien, FA Bautista, JE Beers, TC Beifiori, A Bender, CF Berlind, AA Beutler, F Bhardwaj, V Bird, JC Bizyaev, D Blake, CH Blanton, MR Blomqvist, M Bochanski, JJ Bolton, AS Borde, A Bovy, J Bradley, AS Brandt, WN Brauer, D Brinkmann, J Brownstein, JR Busca, NG Carithers, W Carlberg, JK Carnero, AR Carr, MA Chiappini, C Chojnowski, SD Chuang, CH Comparat, J Crepp, JR Cristiani, S Croft, RAC Cuesta, AJ Cunha, K da Costa, LN Dawson, KS De Lee, N Dean, JDR Delubac, T Deshpande, R Dhital, S Ealet, A Ebelke, GL Edmondson, EM Eisenstein, DJ Epstein, CR Escoffier, S Esposito, M Evans, ML Fabbian, D Fan, XH Favole, G Castella, BF Alvar, EF Feuillet, D Ak, NF Finley, H Fleming, SW Font-Ribera, A Frinchaboy, PM Galbraith-Frew, JG Garcia-Hernandez, DA Perez, AEG Ge, J Genova-Santos, R Gillespie, BA Girardi, L Hernandez, JIG Gott, JR Gunn, JE Guo, H Halverson, S Harding, P Harris, D Hasselquist, S Hawley, SL Hayden, M Hearty, FR Davo, AH Ho, S Hogg, DW Holtzman, JA Honscheid, K Huehnerhoff, J Ivans, II Jackson, KM Jiang, P Johnson, JA Kinemuchi, K Kirkby, D Klaene, MA Kneib, JP Koesterke, L Lan, TW Lang, D Le Goff, JM Leauthaud, A Lee, KG Lee, YS Long, DC Loomis, CP Lucatello, S Lupton, RH Ma, B Mack, CE Mahadevan, S Maia, MAG Majewski, SR Malanushenko, E Malanushenko, V Manchado, A Manera, M Maraston, C Margala, D Martell, SL Masters, KL McBride, CK McGreer, ID McMahon, RG Menard, B Meszaros, S Miralda-Escude, J Miyatake, H Montero-Dorta, AD Montesano, F More, S Morrison, HL Muna, D Munn, JA Myers, AD Nguyen, DC Nichol, RC Nidever, DL Noterdaeme, P Nuza, SE O'Connell, JE O'Connell, RW O'Connell, R Olmstead, MD Oravetz, DJ Owen, R Padmanabhan, N Palanque-Delabrouille, N Pan, K Parejko, JK Parihar, P Paris, I Pepper, J Percival, WJ Perez-Rafols, I Perottoni, HD Petitjean, P Pieri, MM Pinsonneault, MH Prada, F Price-Whelan, AM Raddick, MJ Rahman, M Rebolo, R Reid, BA Richards, JC Riffel, R Robin, AC Rocha-Pinto, HJ Rockosi, CM Roe, NA Ross, AJ Ross, NP Rossi, G Roy, A Rubino-Martin, JA Sabiu, CG Sanchez, AG Santiago, B Sayres, C Schiavon, RP Schlegel, DJ Schlesinger, KJ Schmidt, SJ Schneider, DP Schultheis, M Sellgren, K Seo, HJ Shen, Y Shetrone, M Shu, YP Simmons, AE Skrutskie, MF Slosar, A Smith, VV Snedden, SA Sobeck, JS Sobreira, F Stassun, KG Steinmetz, M Strauss, MA Streblyanska, A Suzuki, N Swanson, MEC Terrien, RC Thakar, AR Thomas, D Thompson, BA Tinker, JL Tojeiro, R Troup, NW Vandenberg, J Magana, MV Viel, M Vogt, NP Wake, DA Weaver, BA Weinberg, DH Weiner, BJ White, M White, SDM Wilson, JC Wisniewski, JP Wood-Vasey, WM Yeche, C York, DG Zamora, O Zasowski, G Zehavi, I Zhao, GB Zheng, Z Zhu, GT AF Ahn, Christopher P. Alexandroff, Rachael Allende Prieto, Carlos Anders, Friedrich Anderson, Scott F. Anderton, Timothy Andrews, Brett H. Aubourg, Eric Bailey, Stephen Bastien, Fabienne A. Bautista, Julian E. Beers, Timothy C. Beifiori, Alessandra Bender, Chad F. Berlind, Andreas A. Beutler, Florian Bhardwaj, Vaishali Bird, Jonathan C. Bizyaev, Dmitry Blake, Cullen H. Blanton, Michael R. Blomqvist, Michael Bochanski, John J. Bolton, Adam S. Borde, Arnaud Bovy, Jo Bradley, Alaina Shelden Brandt, W. N. Brauer, Dorothee Brinkmann, J. Brownstein, Joel R. Busca, Nicolas G. Carithers, William Carlberg, Joleen K. Carnero, Aurelio R. Carr, Michael A. Chiappini, Cristina Chojnowski, S. Drew Chuang, Chia-Hsun Comparat, Johan Crepp, Justin R. Cristiani, Stefano Croft, Rupert A. C. Cuesta, Antonio J. Cunha, Katia da Costa, Luiz N. Dawson, Kyle S. De Lee, Nathan Dean, Janice D. R. Delubac, Timothee Deshpande, Rohit Dhital, Saurav Ealet, Anne Ebelke, Garrett L. Edmondson, Edward M. Eisenstein, Daniel J. Epstein, Courtney R. Escoffier, Stephanie Esposito, Massimiliano Evans, Michael L. Fabbian, D. Fan, Xiaohui Favole, Ginevra Femenia Castella, Bruno Fernandez Alvar, Emma Feuillet, Diane Ak, Nurten Filiz Finley, Hayley Fleming, Scott W. Font-Ribera, Andreu Frinchaboy, Peter M. Galbraith-Frew, J. G. Garcia-Hernandez, D. A. Perez, Ana E. Garcia Ge, Jian Genova-Santos, R. Gillespie, Bruce A. Girardi, Leo Gonzalez Hernandez, Jonay I. Gott, J. Richard, III Gunn, James E. Guo, Hong Halverson, Samuel Harding, Paul Harris, DavidW. Hasselquist, Sten Hawley, Suzanne L. Hayden, Michael Hearty, Frederick R. Herrero Davo, Artemio Ho, Shirley Hogg, David W. Holtzman, Jon A. Honscheid, Klaus Huehnerhoff, Joseph Ivans, Inese I. Jackson, Kelly M. Jiang, Peng Johnson, Jennifer A. Kinemuchi, K. Kirkby, David Klaene, Mark A. Kneib, Jean-Paul Koesterke, Lars Lan, Ting-Wen Lang, Dustin Le Goff, Jean-Marc Leauthaud, Alexie Lee, Khee-Gan Lee, Young Sun Long, Daniel C. Loomis, Craig P. Lucatello, Sara Lupton, Robert H. Ma, Bo Mack, Claude E., III Mahadevan, Suvrath Maia, Marcio A. G. Majewski, Steven R. Malanushenko, Elena Malanushenko, Viktor Manchado, A. Manera, Marc Maraston, Claudia Margala, Daniel Martell, Sarah L. Masters, Karen L. McBride, Cameron K. McGreer, Ian D. McMahon, Richard G. Menard, Brice Meszaros, Sz. Miralda-Escude, Jordi Miyatake, Hironao Montero-Dorta, Antonio D. Montesano, Francesco More, Surhud Morrison, Heather L. Muna, Demitri Munn, Jeffrey A. Myers, Adam D. Duy Cuong Nguyen Nichol, Robert C. Nidever, David L. Noterdaeme, Pasquier Nuza, Sebastian E. O'Connell, Julia E. O'Connell, Robert W. O'Connell, Ross Olmstead, Matthew D. Oravetz, Daniel J. Owen, Russell Padmanabhan, Nikhil Palanque-Delabrouille, Nathalie Pan, Kaike Parejko, John K. Parihar, Prachi Paris, Isabelle Pepper, Joshua Percival, Will J. Perez-Rafols, Ignasi Perottoni, Helio Dotto Petitjean, Patrick Pieri, Matthew M. Pinsonneault, M. H. Prada, Francisco Price-Whelan, Adrian M. Raddick, M. Jordan Rahman, Mubdi Rebolo, Rafael Reid, Beth A. Richards, Jonathan C. Riffel, Rogerio Robin, Annie C. Rocha-Pinto, H. J. Rockosi, Constance M. Roe, Natalie A. Ross, Ashley J. Ross, Nicholas P. Rossi, Graziano Roy, Arpita Rubino-Martin, J. A. Sabiu, Cristiano G. Sanchez, Ariel G. Santiago, Basilio Sayres, Conor Schiavon, Ricardo P. Schlegel, David J. Schlesinger, Katharine J. Schmidt, Sarah J. Schneider, Donald P. Schultheis, Mathias Sellgren, Kris Seo, Hee-Jong Shen, Yue Shetrone, Matthew Shu, Yiping Simmons, Audrey E. Skrutskie, M. F. Slosar, Anze Smith, Verne V. Snedden, Stephanie A. Sobeck, Jennifer S. Sobreira, Flavia Stassun, Keivan G. Steinmetz, Matthias Strauss, Michael A. Streblyanska, Alina Suzuki, Nao Swanson, Molly E. C. Terrien, Ryan C. Thakar, Aniruddha R. Thomas, Daniel Thompson, Benjamin A. Tinker, Jeremy L. Tojeiro, Rita Troup, Nicholas W. Vandenberg, Jan Magana, Mariana Vargas Viel, Matteo Vogt, Nicole P. Wake, David A. Weaver, Benjamin A. Weinberg, David H. Weiner, Benjamin J. White, Martin White, Simon D. M. Wilson, John C. Wisniewski, John P. Wood-Vasey, W. M. Yeche, Christophe York, Donald G. Zamora, O. Zasowski, Gail Zehavi, Idit Zhao, Gong-Bo Zheng, Zheng Zhu, Guangtun TI THE TENTH DATA RELEASE OF THE SLOAN DIGITAL SKY SURVEY: FIRST SPECTROSCOPIC DATA FROM THE SDSS-III APACHE POINT OBSERVATORY GALACTIC EVOLUTION EXPERIMENT SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE atlases; catalogs; surveys ID BARYON ACOUSTIC-OSCILLATIONS; STELLAR POPULATION SYNTHESIS; INITIAL MASS FUNCTION; 7TH DATA RELEASE; 9TH DATA RELEASE; TARGET SELECTION; GALAXY SAMPLE; MILKY-WAY; MORPHOLOGICAL CLASSIFICATIONS; PHOTOMETRIC SYSTEM AB The Sloan Digital Sky Survey (SDSS) has been in operation since 2000 April. This paper presents the Tenth Public Data Release (DR10) from its current incarnation, SDSS-III. This data release includes the first spectroscopic data from the Apache Point Observatory Galaxy Evolution Experiment (APOGEE), along with spectroscopic data from the Baryon Oscillation Spectroscopic Survey (BOSS) taken through 2012 July. The APOGEE instrument is a near-infrared R similar to 22,500 300 fiber spectrograph covering 1.514-1.696 mu m. The APOGEE survey is studying the chemical abundances and radial velocities of roughly 100,000 red giant star candidates in the bulge, bar, disk, and halo of the Milky Way. DR10 includes 178,397 spectra of 57,454 stars, each typically observed three or more times, from APOGEE. Derived quantities from these spectra (radial velocities, effective temperatures, surface gravities, and metallicities) are also included. DR10 also roughly doubles the number of BOSS spectra over those included in the Ninth Data Release. DR10 includes a total of 1,507,954 BOSS spectra comprising 927,844 galaxy spectra, 182,009 quasar spectra, and 159,327 stellar spectra selected over 6373.2 deg(-2). C1 [Ahn, Christopher P.; Anderton, Timothy; Bolton, Adam S.; Brownstein, Joel R.; Dawson, Kyle S.; Galbraith-Frew, J. G.; Guo, Hong; Harris, DavidW.; Ivans, Inese I.; Montero-Dorta, Antonio D.; Olmstead, Matthew D.; Richards, Jonathan C.; Shu, Yiping; Zheng, Zheng] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Alexandroff, Rachael; Gillespie, Bruce A.; Lan, Ting-Wen; Menard, Brice; Raddick, M. Jordan; Rahman, Mubdi; Thakar, Aniruddha R.; Vandenberg, Jan; Zasowski, Gail; Zhu, Guangtun] Johns Hopkins Univ, Dept Phys & Astron, Ctr Astrophys Sci, Baltimore, MD 21218 USA. [Allende Prieto, Carlos; Esposito, Massimiliano; Fabbian, D.; Femenia Castella, Bruno; Fernandez Alvar, Emma; Garcia-Hernandez, D. A.; Genova-Santos, R.; Gonzalez Hernandez, Jonay I.; Herrero Davo, Artemio; Manchado, A.; Meszaros, Sz.; Rebolo, Rafael; Rubino-Martin, J. A.; Streblyanska, Alina; Zamora, O.] Inst Astrofis Canarias, E-38200 Tenerife, Spain. [Allende Prieto, Carlos; Esposito, Massimiliano; Femenia Castella, Bruno; Fernandez Alvar, Emma; Garcia-Hernandez, D. A.; Genova-Santos, R.; Herrero Davo, Artemio; Manchado, A.; Meszaros, Sz.; Rubino-Martin, J. A.; Streblyanska, Alina; Zamora, O.] Univ La Laguna, Dept Astrofis, E-38206 Tenerife, Spain. [Anders, Friedrich; Brauer, Dorothee; Chiappini, Cristina; Nuza, Sebastian E.; Steinmetz, Matthias] Leibniz Inst Astrophys Potsdam AIP, D-14482 Potsdam, Germany. [Anders, Friedrich] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Anderson, Scott F.; Bhardwaj, Vaishali; Bochanski, John J.; Evans, Michael L.; Hawley, Suzanne L.; Owen, Russell; Sayres, Conor] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Andrews, Brett H.; Epstein, Courtney R.; Johnson, Jennifer A.; Muna, Demitri; Pinsonneault, M. H.; Schmidt, Sarah J.; Sellgren, Kris; Weinberg, David H.; Zasowski, Gail] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Aubourg, Eric; Bautista, Julian E.; Busca, Nicolas G.] Univ Paris Diderot, APC, CNRS, IN2P3,CEA,IRFU,Observ Paris,Sorbonne Paris Cite, F-75205 Paris, France. [Bailey, Stephen; Beutler, Florian; Bhardwaj, Vaishali; Carithers, William; Font-Ribera, Andreu; Reid, Beth A.; Roe, Natalie A.; Ross, Nicholas P.; Schlegel, David J.; Seo, Hee-Jong; Suzuki, Nao; White, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bastien, Fabienne A.; Berlind, Andreas A.; Bird, Jonathan C.; De Lee, Nathan; Dhital, Saurav; Mack, Claude E., III; Pepper, Joshua; Stassun, Keivan G.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Beers, Timothy C.; Smith, Verne V.] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Beers, Timothy C.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Beers, Timothy C.] Michigan State Univ, JINA, E Lansing, MI 48824 USA. [Beifiori, Alessandra; Montesano, Francesco; Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Bender, Chad F.; Brandt, W. N.; Deshpande, Rohit; Ak, Nurten Filiz; Fleming, Scott W.; Halverson, Samuel; Mahadevan, Suvrath; Roy, Arpita; Schneider, Donald P.; Terrien, Ryan C.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Bender, Chad F.; Deshpande, Rohit; Fleming, Scott W.; Mahadevan, Suvrath; Terrien, Ryan C.] Penn State Univ, Ctr Exoplanets & Habitable Worlds, University Pk, PA 16802 USA. [Bizyaev, Dmitry; Bradley, Alaina Shelden; Brinkmann, J.; Ebelke, Garrett L.; Gillespie, Bruce A.; Huehnerhoff, Joseph; Kinemuchi, K.; Klaene, Mark A.; Long, Daniel C.; Malanushenko, Elena; Malanushenko, Viktor; Oravetz, Daniel J.; Pan, Kaike; Simmons, Audrey E.; Snedden, Stephanie A.] Apache Point Observ, Sunspot, NM 88349 USA. [Bizyaev, Dmitry; Ebelke, Garrett L.; Feuillet, Diane; Hasselquist, Sten; Hayden, Michael; Holtzman, Jon A.; Kinemuchi, K.; Lee, Young Sun; Long, Daniel C.; Malanushenko, Elena; Malanushenko, Viktor; Vogt, Nicole P.] New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. [Blake, Cullen H.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Blanton, Michael R.; Hogg, David W.; Tinker, Jeremy L.; Weaver, Benjamin A.; Wilson, John C.] NYU, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Blomqvist, Michael; Kirkby, David; Margala, Daniel] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Bochanski, John J.] Haverford Coll, Dept Phys & Astron, Haverford, PA 19041 USA. [Borde, Arnaud; Delubac, Timothee; Le Goff, Jean-Marc; Palanque-Delabrouille, Nathalie; Rossi, Graziano; Yeche, Christophe] CEA, Ctr Saclay, Irfu, SPP, F-91191 Gif Sur Yvette, France. [Bovy, Jo] Inst Adv Study, Princeton, NJ 08540 USA. [Brandt, W. N.; Ak, Nurten Filiz; Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Carlberg, Joleen K.] Carnegie Inst Sci, Dept Terr Magnetism, Washington, DC 20015 USA. [Carnero, Aurelio R.; Cunha, Katia; da Costa, Luiz N.; Maia, Marcio A. G.; Sobreira, Flavia] Observ Nacl, BR-20921400 Rio De Janeiro, RJ, Brazil. [Carnero, Aurelio R.; Chiappini, Cristina; da Costa, Luiz N.; Girardi, Leo; Maia, Marcio A. G.; Perottoni, Helio Dotto; Riffel, Rogerio; Rocha-Pinto, H. J.; Santiago, Basilio; Sobreira, Flavia] LIneA, Lab Interinst eAstron, BR-20921400 Rio De Janeiro, RJ, Brazil. [Carr, Michael A.; Gott, J. Richard, III; Gunn, James E.; Loomis, Craig P.; Lupton, Robert H.; Miyatake, Hironao; Parihar, Prachi; Strauss, Michael A.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Chojnowski, S. Drew; Dean, Janice D. R.; Hearty, Frederick R.; Majewski, Steven R.; Nidever, David L.; O'Connell, Robert W.; Skrutskie, M. F.; Troup, Nicholas W.] Univ Virginia, Dept Astron, Charlottesville, VA 22904 USA. [Chuang, Chia-Hsun; Favole, Ginevra; Prada, Francisco] Univ Autonoma Madrid, CSIC, Inst Fis Teor, E-28049 Madrid, Spain. [Comparat, Johan; Kneib, Jean-Paul] Univ Aix Marseille 1, CNRS, Lab Astrophys Marseille, F-13388 Marseille 13, France. [Crepp, Justin R.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Cristiani, Stefano; Viel, Matteo] Osserv Astron Trieste, INAF, I-34131 Trieste, Italy. [Cristiani, Stefano; Viel, Matteo] Ist Nazl Fis Nucl, I-34127 Trieste, Italy. [Croft, Rupert A. C.; Ho, Shirley; Lang, Dustin; O'Connell, Ross; Magana, Mariana Vargas] Carnegie Mellon Univ, Dept Phys, Bruce & Astrid McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Cuesta, Antonio J.; Padmanabhan, Nikhil; Parejko, John K.] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. [Cunha, Katia; Fan, Xiaohui; McGreer, Ian D.; Weiner, Benjamin J.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Dhital, Saurav] Embry Riddle Aeronaut Univ, Dept Phys Sci, Daytona Beach, FL 32114 USA. [Ealet, Anne; Escoffier, Stephanie] Aix Marseille Univ, CNRS, IN2P3, Ctr Phys Particules Marseille, F-13288 Marseille, France. [Edmondson, Edward M.; Manera, Marc; Maraston, Claudia; Masters, Karen L.; Nichol, Robert C.; Percival, Will J.; Pieri, Matthew M.; Ross, Ashley J.; Thomas, Daniel; Tojeiro, Rita; Zhao, Gong-Bo] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Eisenstein, Daniel J.; McBride, Cameron K.; Shen, Yue; Swanson, Molly E. C.] Harvard Univ, Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Ak, Nurten Filiz] Erciyes Univ, Dept Astron & Space Sci, Fac Sci, TR-38039 Kayseri, Turkey. [Finley, Hayley; Noterdaeme, Pasquier; Petitjean, Patrick] UPMC, CNRS, Inst Astrophys Paris, UMR7095, F-75014 Paris, France. [Font-Ribera, Andreu] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Frinchaboy, Peter M.; Jackson, Kelly M.; O'Connell, Julia E.; Thompson, Benjamin A.] Texas Christian Univ, Dept Phys & Astron, Ft Worth, TX 76129 USA. [Ge, Jian; Jiang, Peng; Ma, Bo] Univ Florida, Dept Astron, Bryant Space Sci Ctr, Gainesville, FL 32611 USA. [Girardi, Leo; Lucatello, Sara] Osserv Astron Padova, INAF, I-35122 Padua, Italy. [Harding, Paul; Morrison, Heather L.; Zehavi, Idit] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. [Honscheid, Klaus] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Honscheid, Klaus; Johnson, Jennifer A.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Jackson, Kelly M.] Univ Texas Dallas, Dept Phys, Dallas, TX 75080 USA. [Jiang, Peng] Univ Sci & Technol China, Chinese Acad Sci, Key Lab Res Galaxies & Cosmol, Hefei 230026, Anhui, Peoples R China. [Kneib, Jean-Paul] Ecole Polytech Fed Lausanne, Observ Sauverny, Astrophys Lab, CH-1290 Versoix, Switzerland. [Koesterke, Lars] Univ Texas Austin, Texas Adv Comp Ctr, Austin, TX 78758 USA. [Leauthaud, Alexie; Menard, Brice; More, Surhud] Univ Tokyo, Todai Inst Adv Study, Kavli Inst Phys & Math Universe Kavli IPMU, WPI, Kashiwa, Chiba 2778583, Japan. [Lee, Khee-Gan] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Martell, Sarah L.] Australian Astron Observ, N Ryde, NSW 1670, Australia. [McMahon, Richard G.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [McMahon, Richard G.] Univ Cambridge, Kavli Inst Cosmol, Cambridge CB3 0HA, England. [Miralda-Escude, Jordi] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [Miralda-Escude, Jordi; Perez-Rafols, Ignasi] Univ Barcelona, Inst Ciencies Cosmos, IEEC, E-08028 Barcelona, Spain. [Munn, Jeffrey A.] US Naval Observ, Flagstaff Stn, Flagstaff, AZ 86001 USA. [Myers, Adam D.] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. [Duy Cuong Nguyen] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Nidever, David L.] Univ Michigan, Dept Astron, Ann Arbor, MI 48104 USA. [Paris, Isabelle] Univ Chile, Dept Astron, Santiago, Chile. [Pepper, Joshua] Lehigh Univ, Dept Phys, Bethlehem, PA 18015 USA. [Perez-Rafols, Ignasi] Univ Barcelona, Fac Fis, Dept Astron & Meteorol, E-08028 Barcelona, Spain. [Perottoni, Helio Dotto; Rocha-Pinto, H. J.] Fed Rio de Janeiro, Observ Valongo, BR-20080090 Rio De Janeiro, Brazil. [Prada, Francisco] UAM, CSIC, E-28049 Madrid, Spain. [Prada, Francisco] CSIC, Inst Astrofis Andalucia, E-18080 Granada, Spain. [Price-Whelan, Adrian M.] Columbia Univ, Dept Astron, New York, NY 10027 USA. [Rebolo, Rafael] CSIC, E-28006 Madrid, Spain. [Riffel, Rogerio; Santiago, Basilio] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil. [Robin, Annie C.; Schultheis, Mathias] Univ Franche Comte, Inst Utinam, OSU Theta, UMR CNRS 6213, F-25010 Besancon, France. [Rockosi, Constance M.] Univ Calif Santa Cruz, UCO Lick Observ, Santa Cruz, CA 95064 USA. [Sabiu, Cristiano G.] Korea Inst Adv Study, Sch Phys, Seoul 130722, South Korea. [Schiavon, Ricardo P.] Liverpool John Moores Univ, Astrophys Res Inst, Liverpool L3 5RF, Merseyside, England. [Schlesinger, Katharine J.] Australian Natl Univ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia. [Shen, Yue] Observ Carnegie Inst Washington, Pasadena, CA 91101 USA. [Shetrone, Matthew] Univ Texas, Mcdonald Observ, TX 79734 USA. [Slosar, Anze] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sobeck, Jennifer S.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Sobeck, Jennifer S.] Univ Chicago, JINA, Chicago, IL 60637 USA. [Stassun, Keivan G.] Fisk Univ, Dept Phys, Nashville, TN 37208 USA. [Wake, David A.] Univ Wisconsin, Dept Astron, Madison, WI 53703 USA. [White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [White, Simon D. M.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Wisniewski, John P.] Univ Oklahoma, HL Dodge Dept Phys & Astron, Norman, OK 73019 USA. [Wood-Vasey, W. M.] Univ Pittsburgh, Dept Phys & Astron, PITT PACC, Pittsburgh, PA 15260 USA. [York, Donald G.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [York, Donald G.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Zhao, Gong-Bo] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China. RP Strauss, MA (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. RI Sobreira, Flavia/F-4168-2015; Croft, Rupert/N-8707-2014; Riffel, Rogerio/I-5787-2013; More, Surhud/A-5049-2013; Zamora, Olga/M-1776-2014; Filiz Ak, Nurten/C-9686-2015; Kneib, Jean-Paul/A-7919-2015; Guo, Hong/J-5797-2015; White, Martin/I-3880-2015; Brandt, William/N-2844-2015; Rocha-Pinto, Helio/C-2719-2008; Meszaros, Szabolcs/N-2287-2014; EPFL, Physics/O-6514-2016; OI Sobreira, Flavia/0000-0002-7822-0658; Croft, Rupert/0000-0003-0697-2583; Riffel, Rogerio/0000-0002-1321-1320; More, Surhud/0000-0002-2986-2371; Zamora, Olga/0000-0003-2100-1638; Filiz Ak, Nurten/0000-0003-3016-5490; Kneib, Jean-Paul/0000-0002-4616-4989; Guo, Hong/0000-0003-4936-8247; White, Martin/0000-0001-9912-5070; Brandt, William/0000-0002-0167-2453; Meszaros, Szabolcs/0000-0001-8237-5209; Schmidt, Sarah/0000-0002-7224-7702; Finley, Hayley/0000-0002-1216-8914; Cuesta Vazquez, Antonio Jose/0000-0002-4153-9470; Fabbian, Damian/0000-0002-0347-9243; Bovy, Jo/0000-0001-6855-442X; Roy, Arpita/0000-0001-8127-5775; McMahon, Richard/0000-0001-8447-8869; Hogg, David/0000-0003-2866-9403; Pepper, Joshua/0000-0002-3827-8417; Cristiani, Stefano/0000-0002-2115-5234; Rubino-Martin, Jose Alberto/0000-0001-5289-3021; Rahman, Mubdi/0000-0003-1842-6096; Escoffier, Stephanie/0000-0002-2847-7498; Kirkby, David/0000-0002-8828-5463; Fleming, Scott/0000-0003-0556-027X; Viel, Matteo/0000-0002-2642-5707; Zhu, Guangtun/0000-0002-7574-8078; Beutler, Florian/0000-0003-0467-5438 FU National Aeronautics and Space Administration; National Science Foundation; Alfred P. Sloan Foundation; U.S. Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; 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 SDSS-III DR10 makes use of data products from the Two Micron All Sky Survey, which is a joint project of the University of Massachusetts and the Infrared Processing and Analysis Center/California Institute of Technology, funded by the National Aeronautics and Space Administration and the National Science Foundation.; SDSS-III DR10 makes use of data products from the Wide-field Infrared Survey Explorer, which is a joint project of the University of California, Los Angeles, and the Jet Propulsion Laboratory/California Institute of Technology, funded by the National Aeronautics and Space Administration.; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy Office of Science. The SDSS-III Web site is http://www.sdss3.org/.; SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, Harvard University, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington, and Yale University. NR 74 TC 443 Z9 448 U1 9 U2 75 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD APR PY 2014 VL 211 IS 2 AR 17 DI 10.1088/0067-0049/211/2/17 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE5KT UT WOS:000334028600001 ER PT J AU Bryan, GL Norman, ML O'Shea, BW Abel, T Wise, JH Turk, MJ Reynolds, DR Collins, DC Wang, P Skillman, SW Smith, B Harkness, RP Bordner, J Kim, JH Kuhlen, M Xu, H Goldbaum, N Hummels, C Kritsuk, AG Tasker, E Skory, S Simpson, CM Hahn, O Oishi, JS So, GC Zhao, F Cen, RY Li, Y AF Bryan, Greg L. Norman, Michael L. O'Shea, Brian W. Abel, Tom Wise, John H. Turk, Matthew J. Reynolds, Daniel R. Collins, David C. Wang, Peng Skillman, Samuel W. Smith, Britton Harkness, Robert P. Bordner, James Kim, Ji-hoon Kuhlen, Michael Xu, Hao Goldbaum, Nathan Hummels, Cameron Kritsuk, Alexei G. Tasker, Elizabeth Skory, Stephen Simpson, Christine M. Hahn, Oliver Oishi, Jeffrey S. So, Geoffrey C. Zhao, Fen Cen, Renyue Li, Yuan CA Enzo Collaboration TI ENZO: AN ADAPTIVE MESH REFINEMENT CODE FOR ASTROPHYSICS SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE hydrodynamics; methods: numerical ID SMOOTHED-PARTICLE HYDRODYNAMICS; TO-MOLECULAR TRANSITION; RADIATION MAGNETOHYDRODYNAMICS CODE; CONSERVATIVE DIFFERENCE SCHEME; PIECEWISE PARABOLIC METHOD; POPULATION III STARS; N-BODY SIMULATIONS; LYMAN-ALPHA FOREST; 2 SPACE DIMENSIONS; COSMOLOGICAL SIMULATIONS AB This paper describes the open-source code Enzo, which uses block-structured adaptive mesh refinement to provide high spatial and temporal resolution for modeling astrophysical fluid flows. The code is Cartesian, can be run in one, two, and three dimensions, and supports a wide variety of physics including hydrodynamics, ideal and non-ideal magnetohydrodynamics, N-body dynamics (and, more broadly, self-gravity of fluids and particles), primordial gas chemistry, optically thin radiative cooling of primordial and metal-enriched plasmas (as well as some optically-thick cooling models), radiation transport, cosmological expansion, and models for star formation and feedback in a cosmological context. In addition to explaining the algorithms implemented, we present solutions for a wide range of test problems, demonstrate the code's parallel performance, and discuss the Enzo collaboration's code development methodology. C1 [Bryan, Greg L.; Turk, Matthew J.; Li, Yuan] Columbia Univ, Dept Astron, New York, NY 10025 USA. [Norman, Michael L.; Bordner, James; Xu, Hao; Kritsuk, Alexei G.; So, Geoffrey C.] Univ Calif San Diego, CASS, La Jolla, CA 92093 USA. [Norman, Michael L.] Univ Calif San Diego, SDSC, La Jolla, CA 92093 USA. [O'Shea, Brian W.; Smith, Britton; Harkness, Robert P.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [O'Shea, Brian W.] Michigan State Univ, Lyman Briggs Coll, E Lansing, MI 48824 USA. [O'Shea, Brian W.] Michigan State Univ, Inst Cyber Enabled Res, E Lansing, MI 48824 USA. [Abel, Tom; Wang, Peng; Skillman, Samuel W.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Abel, Tom; Zhao, Fen] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Wise, John H.] Georgia Inst Technol, Sch Phys, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Reynolds, Daniel R.] So Methodist Univ, Dept Math, Dallas, TX 75205 USA. [Collins, David C.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Wang, Peng] nVidia Inc, Beijing, Peoples R China. [Skillman, Samuel W.; Skory, Stephen] Univ Colorado, Dept Astrophys & Planetary Sci, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Smith, Britton; Goldbaum, Nathan] Univ Edinburgh, Inst Astron, Edinburgh EH9 3HJ, Midlothian, Scotland. [Harkness, Robert P.] Oak Ridge Natl Lab, NICS, Oak Ridge, TN 37831 USA. [Kim, Ji-hoon] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Kuhlen, Michael] Univ Calif Berkeley, Theoret Astrophys Ctr, Berkeley, CA 94720 USA. [Hummels, Cameron] Univ Arizona, Dept Astron, Steward Observ, Tucson, AZ 85721 USA. [Tasker, Elizabeth] Hokkaido Univ, Dept Phys, Fac Sci, Kita Ku, Sapporo, Hokkaido 0600810, Japan. [Simpson, Christine M.] Heidelberg Inst Theoret Studies, D-69118 Heidelberg, Germany. [Hahn, Oliver] ETH, Inst Astron, CH-8093 Zurich, Switzerland. [Oishi, Jeffrey S.] Amer Museum Nat Hist, Dept Astrophys, New York, NY 10024 USA. [Cen, Renyue] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. RP Bryan, GL (reprint author), Columbia Univ, Dept Astron, New York, NY 10025 USA. RI Xu, Hao/B-8734-2014; Hahn, Oliver/A-7715-2015; OI Xu, Hao/0000-0003-4084-9925; Hahn, Oliver/0000-0001-9440-1152; Reynolds, Daniel/0000-0002-0911-7841; Bryan, Greg/0000-0003-2630-9228; Turk, Matthew/0000-0002-5294-0198; Li, Yuan/0000-0001-5262-6150 FU National Science Foundation [AST-0407176, AST-0808398, AST0908740, AST-0908819, AST0955300, AST-1008134, AST-1109570, AST-1009802, AST-1102943, AST1106437, AST-1210890, AST-1211626, OCI-0832662, OCI-0941373, PHY1104819]; Graduate Research Fellowship program; National Aeronautics and Space Administration [NAGW-3152, NAG5-3923, NNX08AH26G, NNX09AD80G, NNX12AH41G, NNX12AC98G, NNZ07-AG77G, NNG05GK10G, ATP09-0094]; Chandra Theory [TM9-0008X]; Hubble Space Telescope Theory Grant [HST-AR-10978.01]; Fermi Guest Investigator Program [21077]; Hubble Postdoctoral Fellowship through the Space Telescope Science Institute [120-6370]; Department of Energy via the Los Alamos National Laboratory (LANL) Laboratory Directed Research and Development Program; LANL Institute for Geophysics and Planetary Physics; Los Alamos National Laboratory Director's Postdoctoral Fellowship program [DE-AC52-06NA25396]; DOE Computational Science Graduate Fellowship [DE-FG02-97ER25308]; Canada's NSERC through the USRA and CGS programs; Japan MEXT grant for the Tenure Track System; Kavli Institute for Theoretical Physics at Santa Barbara; Aspen Center for Physics; UCLA Institute for Pure and Applied Mathematics; [AST-0407368]; [AST0507521]; [AST-0507717]; [AST-0507768]; [AST-0529734]; [AST-0607675]; [AST0702923]; [AST-0707474]; [AST-0708960]; [AST-0807075]; [AST-0807215]; [AST0808184]; [AAG-0808184]; [AAG1109008]; [ACI-9619019]; [ASC-9313135]; [AST-9803137]; [AST-0307690] FX This work has been supported by the National Science Foundation by grants AAG-0808184 (D.R.R.), AAG1109008 (D.R.R.), ACI-9619019 (M.L.N.), ASC-9313135 M.L.N.), AST-9803137 (M.L.N.), AST-0307690 (M.L.N.), AST-0407176 (R.C.), AST-0407368 (S.S., E.J.H.), AST0507521 (R.C.), AST-0507717 (M.L.N.), AST-0507768 (A.G.K.), AST-0529734 (T.A.), AST-0607675 (A.G.K.), AST0702923 (E.J.H.), AST-0707474 (B.D.S.), AST-0708960 (M.L.N.), AST-0807075 (T.A.), AST-0807215 (J.B.), AST0808184 (M.L.N., A.G.K.), AST-0808398 (T.A.), AST0908740 (A.G.K., D.C.C.), AST-0908819 (B.W.O.), AST0955300 (N.J.G.), AST-1008134 (G.B.), AST-1109570 (A.G.K.), AST-1009802 (J.S.O.), AST-1102943 (M.L.N.), AST1106437 (J.B.), AST-1210890 (G.B.), AST-1211626 (J.H.W.), OCI-0832662 (B.W.O., M.L.N.), OCI-0941373 (B.W.O.), PHY1104819 (M.L.N., J.B.), the CI TraCS fellowship (OCI1048505; M.J.T.), and the Graduate Research Fellowship program (N.J.G.; S.W.S.).; This work has been supported by the National Aeronautics and Space Administration through grants NAGW-3152 (M.L.N.), NAG5-3923 (M.L.N.), NNX08AH26G (M.L.N., T.A.), NNX09AD80G (B.W.O.), NNX12AH41G (G.B.), NNX12AC98G (B.W.O.), NNZ07-AG77G (B.D.S.), NNG05GK10G (R.C.), and ATP09-0094 (S.V.L.); Chandra Theory grant TM9-0008X (B.W.O.); Hubble Space Telescope Theory Grant HST-AR-10978.01 (B.D.S.), the Fermi Guest Investigator Program (21077; B.W.O.); and the Hubble Postdoctoral Fellowship through the Space Telescope Science Institute, 120-6370 (J.H.W.).; This work has been supported by the Department of Energy via the Los Alamos National Laboratory (LANL) Laboratory Directed Research and Development Program (B.W.O., D.C.C., H.X., S.W.S.), the LANL Institute for Geophysics and Planetary Physics (B.W.O., D.C.C., C.P., B.C.), the Los Alamos National Laboratory Director's Postdoctoral Fellowship program (No.DE-AC52-06NA25396; B.W.O.and D.C.C.), and the DOE Computational Science Graduate Fellowship (DE-FG02-97ER25308; S.W.S.); Additional financial support for the Enzo code has come from Canada's NSERC through the USRA and CGS programs (E.L.) and through a Japan MEXT grant for the Tenure Track System (E.J.T.).; We acknowledge the many academic institutions that have supported Enzo development, including (in alphabetical order) Columbia University, Georgia Institute of Technology, Michigan State University and the MSU Institute for Cyber-Enabled Research, theNational Center for Supercomputing Applications at the University of Illinois in Urbana-Champaign, the Pennsylvania State University, the San Diego Supercomputer Center at US San Diego (through the Strategic Applications Partner program and the Director's office), Princeton University, SLAC National Accelerator Laboratory, the SLAC/Stanford Kavli Institute for Particle Astrophysics and Cosmology, Southern Methodist University, Stanford University, the Texas Advanced Computing Center at the University of Texas, the University of Arizona, the University of California at San Diego, the University of California at Santa Cruz, the University of Colorado at Boulder and the Janus supercomputing collaboration, the University of Florida, and the University of Illinois.We acknowledge support from the Kavli Institute for Theoretical Physics at Santa Barbara, the Aspen Center for Physics, and the UCLA Institute for Pure and Applied Mathematics, which have generously hosted Enzo developers through their conference and workshop programs. NR 201 TC 152 Z9 152 U1 0 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD APR PY 2014 VL 211 IS 2 AR 19 DI 10.1088/0067-0049/211/2/19 PG 52 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE5KT UT WOS:000334028600003 ER PT J AU Zhang, YL Xia, T Yu, KM Zhang, FH Yang, H Liu, BY An, Y Yin, YS Chen, XB AF Zhang, Yuliang Xia, Ting Yu, Kin Man Zhang, Fuhua Yang, Heng Liu, Boyang An, Yan Yin, Yansheng Chen, Xiaobo TI Facile Synthesis of [Cu(SCH3)](infinity) Nanowires with High Charge Mobility SO CHEMPLUSCHEM LA English DT Article DE conducting materials; copper; hydrothermal synthesis; nanostructures; polymers ID THIN-FILM TRANSISTORS; PHOTOELECTRON-SPECTROSCOPY; P-TYPE; COPPER(I); CU; COMPLEXES; TRANSPORT; NANOCRYSTALS; OLIGOMERS; LIGANDS AB [Cu(SCH3)] nanowires with lengths on the order of hundreds of micrometers were obtained with a facile method from the reaction of Cu(NO3)(2)3H(2)O, dimethyl sulfoxide (DMSO), and water under hydrothermal conditions within a large range of DMSO/water ratios and at various temperatures. These highly crystalline, thermally stable (under vacuum) nanowires are p-type conducting and have a hole mobility as high as 2cm(2)V(-1)S(-1), which is 10(2)-10(5)times higher than previously reported values. The high hole mobility may demonstrate their promising future in various electronic-device applications. C1 [Zhang, Yuliang; Zhang, Fuhua; Yang, Heng; Liu, Boyang; An, Yan; Yin, Yansheng] Shanghai Maritime Univ, Inst Marine Mat Sci & Engn, Shanghai 201306, Peoples R China. [Zhang, Yuliang; Xia, Ting; Chen, Xiaobo] Univ Missouri, Dept Chem, Kansas City, MO 64110 USA. [Yu, Kin Man] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, YL (reprint author), Shanghai Maritime Univ, Inst Marine Mat Sci & Engn, Shanghai 201306, Peoples R China. EM ylzhang@shmtu.edu.cn; chenxiaobo@umkc.edu RI Zhang, Fuhua/A-7462-2015 OI Zhang, Fuhua/0000-0001-9489-2422 FU College of Arts and Sciences, University of Missouri-Kansas City, the University of Missouri Research Board; National Natural Science Foundation of China [21071096, 51003057]; "973" project [2014CB643306]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. DOE [DE-AC02-05CH11231] FX X.C. is thankful for support from the College of Arts and Sciences, University of Missouri-Kansas City, the University of Missouri Research Board, and acknowledges the generous gift from Dow Kokam. Y.Z. thanks the National Natural Science Foundation of China (nos. 21071096, 51003057) and Y.Y. thanks "973" project (no. 2014CB643306) for their financial support. Studies performed at LBNL were supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. DOE under contract no. DE-AC02-05CH11231. NR 38 TC 0 Z9 0 U1 2 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 2192-6506 J9 CHEMPLUSCHEM JI ChemPlusChem PD APR PY 2014 VL 79 IS 4 BP 559 EP 563 DI 10.1002/cplu.201300415 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA AE6OU UT WOS:000334114200010 ER PT J AU Ma, B Wang, GH Magnotti, G Barlow, RS Long, MB AF Ma, Bin Wang, Guanghua Magnotti, Gaetano Barlow, Robert S. Long, Marshall B. TI Intensity-ratio and color-ratio thin-filament pyrometry: Uncertainties and accuracy SO COMBUSTION AND FLAME LA English DT Article DE Thin-filament pyrometry; Temperature measurement; Temperature uncertainty and accuracy ID LASER-INDUCED FLUORESCENCE; DIFFUSION FLAMES; TEMPERATURE; CAMERA AB Thin-filament pyrometry (TFP) has been proven to be a useful approach to measure flame temperature. It involves placing a thin filament (SiC fiber typically) in hot gases and inferring the gas temperature from the radiance of the glowing filament. The TFP approach offers simplicity and low cost, and it is useful in situations where other techniques are difficult to apply, such as high-pressure environments. In this paper, some recent developments of TFP are discussed. The physical backgrounds of two TFP approaches, namely the intensity-ratio approach and the color-ratio approach, are reviewed along with the required radiation correction. Several sources of error, such as the fiber aging behavior (fiber properties varying with time), spectral emissivity and calibration, have been investigated. Measurements in well-calibrated laminar flames show very good agreement with reference temperatures based on N-2 coherent anti-Stokes Raman scattering (CARS) measurements. Uncertainty analysis has also been performed and provides insights on improving TFP measurement accuracy. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Ma, Bin; Long, Marshall B.] Yale Univ, Dept Mech Engn & Mat Sci, New Haven, CT 06520 USA. [Wang, Guanghua] GE Global Res Ctr, Niskayuna, NY USA. [Magnotti, Gaetano; Barlow, Robert S.] Sandia Natl Labs, Livermore, CA USA. RP Ma, B (reprint author), Yale Univ, Dept Mech Engn & Mat Sci, New Haven, CT 06520 USA. EM bin.ma@yale.edu OI Wang, Guanghua/0000-0002-6313-663X; Ma, Bin/0000-0002-2837-1116; Magnotti, Gaetano/0000-0002-1723-5258 FU DOE Office of Basic Energy Sciences; NASA; GE Global Research [DE-FG02-88ER13966, NNC04AA03A]; GE Research Gift [50952A] FX The research was supported by the DOE Office of Basic Energy Sciences (Dr. Wade Sisk, contract monitor), NASA (Dr. Dennis Stocker, contract monitor) and GE Global Research under contracts DE-FG02-88ER13966, NNC04AA03A, and GE Research Gift 50952A, respectively. NR 15 TC 11 Z9 11 U1 2 U2 15 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2014 VL 161 IS 4 BP 908 EP 916 DI 10.1016/j.combustflame.2013.10.014 PG 9 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AE6IC UT WOS:000334092800005 ER PT J AU Meeks, K Pantoya, ML Apblett, C AF Meeks, Kelsey Pantoya, Michelle L. Apblett, Christopher TI Deposition and characterization of energetic thin films SO COMBUSTION AND FLAME LA English DT Article DE Thermites; Reactive coatings; Doctor blade casting; Energetic materials; Flame velocities; Heat of combustion ID THERMAL-CONDUCTIVITY; PROPAGATION; COMPOSITES; COMBUSTION; AL/MOO3; OUTPUT; AL/CUO AB A new approach for depositing thin energetic films is introduced using doctor blade casting. Magnesium (Mg) and manganese dioxide (MnO2) is mixed with a solvent that includes a binder and is blade cast onto a foil substrate. This study investigated the effect of binder chemistry and concentration on combustion behavior. The Mg-MnO2 system was studied in the following binder-solvent systems: Polyvinylidene Fluoride (PVDF) - Methyl Pyrrolidone (NMP); Viton (R) fluoroelastorner (Viton A) - acetone; and, paraffin-xylene. Films were cast onto substrates to approximately 100 gm thickness. Calorific output and flame velocity were measured for varying binder concentration. Calorific output increased with increasing binder concentration, to a maximum of 4.0 kJ/g, suggesting participation of the binder in the exothermic reaction. Flame velocity decreased with increasing binder concentration, with a maximum of 0.14 m/s. Binders are less conductive than metals and metal oxides thereby hindering the energy propagation with increasing binder content. Confined flame propagation tests were also conducted for the NMP/Mg-MnO2-PVDF system, with a maximum recorded flame velocity of 3.5 m/s. High velocity imaging shows considerable differences in flame front, which may suggest a transition in propagation mechanism accounting for the observed increase in flame velocity. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Meeks, Kelsey; Pantoya, Michelle L.] Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. [Apblett, Christopher] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Pantoya, ML (reprint author), Texas Tech Univ, Dept Mech Engn, 7th & Boston Ave, Lubbock, TX 79409 USA. EM kel.meeks@ttu.edu; michelle.pantoya@ttu.edu; caapble@sandia.gov FU Sandia National Laboratories; Army Research Office [W911NF-11-1-0439] FX The authors are grateful for the financial support of Sandia National Laboratories. K. Meeks acknowledges Ms. Christine White of Sandia National Laboratory for her support with the calorific output measurements, Mr. Pat Ball for his assistance with the flame velocity setup and Mr. Alex Tappan for his input on various parts of the project. The authors K. Meeks and M.L. Pantoya are grateful for additional support by the Army Research Office under Contract Number W911NF-11-1-0439 and encouragement by our program manager, Dr. Ralph Anthenien. NR 32 TC 7 Z9 7 U1 4 U2 26 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2014 VL 161 IS 4 BP 1117 EP 1124 DI 10.1016/j.combustflame.2013.10.027 PG 8 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AE6IC UT WOS:000334092800024 ER PT J AU Yang, M Mallick, B Mudring, AV AF Yang, Mei Mallick, Bert Mudring, Anja-Verena TI A Systematic Study on the Mesomorphic Behavior of Asymmetrical 1-Alkyl-3-dodecylimidazolium Bromides SO CRYSTAL GROWTH & DESIGN LA English DT Article ID IONIC LIQUID-CRYSTALS; PHYSICOCHEMICAL PROPERTIES; SOLAR-CELLS; SALTS; CATION; CATALYSIS AB To determine the essential parameters for mesophase formation in imidazolium-based ionic liquids (ILs), a library of 1-alkyl-3-dodecylimidazolium bromides was synthesized, abbreviated as CnCl2, where 0 <= n <= 13, as the general notion is that a dodecyl side chain would guarantee the formation of an ionic liquid crystal (ILC). All salts were fully characterized by NMR spectroscopy and mass spectrometry. Their thermal properties were recorded, and mesophase formation was assessed. An odd even effect is observed for 5 <= n <= 10 in the temperatures of melting transitions. While the majority of this series, as expected, formed mesophases, surprisingly compounds C2C12 and C6C12 could not be classified as ILCs, the latter being a room temperature IL, while C2C12 is a crystalline solid with melting point at 37 degrees C. The single crystal structure of compound 1-ethyl-3-dodecylimidazolium bromide (C2C12) was successfully obtained. Remarkably, the arrangement of imidazolium cores in the structure is very complicated due to multiple nonclassical hydrogen bonds between bromide anions and imidazolium head groups. In this arrangement, neighboring imidazolium rings are forced by hydrogen bonds to form a "face-to-face" conformation. This seems to be responsible for the elimination of a mesophase. To conclude, the general view of a dodecyl chain being a functional group to generate a mesophase is not entirely valid. C1 [Yang, Mei; Mallick, Bert; Mudring, Anja-Verena] Ruhr Univ Bochum, Fak Chem & Biochem, D-44780 Bochum, Germany. [Mudring, Anja-Verena] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Mudring, Anja-Verena] Ames Lab, Ames, IA 50011 USA. RP Mudring, AV (reprint author), Ruhr Univ Bochum, Fak Chem & Biochem, D-44780 Bochum, Germany. EM anja.mudring@ruhr-uni-bochum.de FU German Science Foundation DFG [1191]; DFG Cluster of Excellence RESOLV; DESY (Deutsches Elektronensynchrotron) [I-20100011] FX This work was supported by the German Science Foundation DFG through the priority program 1191"Ionic Liquids", the DFG Cluster of Excellence RESOLV, and the DESY (Deutsches Elektronensynchrotron Proposal No. I-20100011). We thank Dr. Sergio Funari for support during the SAXS measurements and thank Dr. P. Campbell for helpful comments. NR 29 TC 8 Z9 8 U1 2 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD APR PY 2014 VL 14 IS 4 BP 1561 EP 1571 DI 10.1021/cg401396n PG 11 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA AE4JF UT WOS:000333948000010 ER PT J AU Ferrier, M Roques, J Poineau, F Sattelberger, AP Unger, J Czerwinski, KR AF Ferrier, Maryline Roques, Jerome Poineau, Frederic Sattelberger, Alfred P. Unger, Jeremy Czerwinski, Kenneth R. TI Speciation of Technetium in Sulfuric Acid/Hydrogen Sulfide Solutions SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE Technetium; Sulfides; Speciation; X-ray absorption spectroscopy; Density functional calculations ID RAY-ABSORPTION SPECTROSCOPY; CRYSTAL-STRUCTURE; FINE-STRUCTURE; MEDIA; COMPLEXES; IMMOBILIZATION; CHEMISTRY AB The reaction between Tc-VII and H2S(g) in 12 M H2SO4 has been studied. This reaction produced a black solid and a brown supernate. The solid was analyzed by energy dispersive X-ray (EDX) and X-ray absorption fine structure (XAFS) spectroscopy and the results were consistent with the presence of Tc2S7. The speciation of technetium in the supernate was performed by UV/Visible and XAFS spectroscopy. Experiments showed that in 12 M H2SO4 an intermediate Tc-V sulfate complex was formed. Analysis indicated that the final complex present in solution was a polymeric species with a Tc-O-Tc core coordinated to sulfate ligands. Density Functional Theory (DFT) calculations showed that the proposed complexes were stable and that the theoretical structure was in good agreement with XAFS data. C1 [Ferrier, Maryline; Poineau, Frederic; Sattelberger, Alfred P.; Unger, Jeremy; Czerwinski, Kenneth R.] UNLV, Dept Chem, Las Vegas, NV 89154 USA. [Roques, Jerome] Univ Paris 11, IPN Orsay, F-91406 Orsay, France. [Sattelberger, Alfred P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Lemont, IL 60439 USA. RP Ferrier, M (reprint author), UNLV, Dept Chem, 4505 S Maryland Pkwy,Box 454009, Las Vegas, NV 89154 USA. EM maryline.ferrier@gmail.com FU Nuclear Energy University Program (NEUP) grant from the United States Department of Energy (DOE), Office of Nuclear Energy (INL/BEA, LLC) [00129169, DE-AC07-05ID14517]; DOE [DE-AC02-06CH11357]; University of Nevada Las Vegas (UNLV) FX Funding for this research was provided by a Nuclear Energy University Program (NEUP) grant from the United States Department of Energy (DOE), Office of Nuclear Energy (INL/BEA, LLC, 00129169), agreement number DE-AC07-05ID14517. Use of the Advanced Photon Source (APS), 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 DOE under contract number DE-AC02-06CH11357. The authors thank Julie Bertoia and Trevor Low for outstanding laboratory management and health physics support at University of Nevada Las Vegas (UNLV). The authors further thank Dr. Sungsik Lee and Dr. Benjamin Reihnart for outstanding technical support during EXAFS experiments at the APS facility beamline 12-BM. Further thanks go to William M. Kerlin for help with the sulfide measurement. NR 26 TC 3 Z9 3 U1 4 U2 25 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1434-1948 EI 1099-0682 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD APR PY 2014 VL 2014 IS 12 BP 2046 EP 2052 DI 10.1002/ejic.201301410 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AF0IE UT WOS:000334396700004 ER PT J AU Vasco, DW Daley, TM Bakulin, A AF Vasco, D. W. Daley, Thomas M. Bakulin, Andrey TI Utilizing the onset of time-lapse changes: a robust basis for reservoir monitoring and characterization SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Inverse theory; Hydrogeophysics; Hydrology; Permeability and porosity; Seismic tomography ID INFILTRATING RIVER WATER; CO2 INJECTION; SURFACE DEFORMATION; FLOW PROPERTIES; TRAVEL-TIMES; SEISMIC DATA; AQUIFER CHARACTERIZATION; INDUCED MICROSEISMICITY; SAR INTERFEROMETRY; GEOTHERMAL-FIELD AB Time-lapse monitoring is useful for imaging changes in geophysical attributes due to fluid flow. In trying to use time-lapse data for reservoir characterization, difficulties often arise when relating changes in geophysical observations to changes in fluid saturation and pressure. As an alternative approach for reservoir monitoring and characterization, we introduce the idea of an onset time, the time at which a measured quantity, such as a seismic traveltime or a reflection amplitude, begins to deviate from its background value. We illustrate the idea and demonstrate its utility through the consideration of traveltimes recorded by the continuous active source seismic monitoring system at the Frio pilot site near Houston, Texas. The system, which transmits an elastic wave every 15 min, is used to monitor the movement of carbon dioxide injected into a permeable sand formation. From these data we can estimate the onset of changes in seismic traveltimes to six receivers in an adjacent borehole. Numerical simulation and synthetic tests indicate that the onset times are not very sensitive to the method used to compute the effective fluid bulk modulus and, correspondingly, the seismic compressional velocity. Rather, the onset times are strongly influenced by saturation changes within the formation, specifically by the break-through time of the injected fluid phase. By means of an iterative inversion algorithm we use the onset times to estimate permeability variations between the boreholes at the Frio pilot site. C1 [Vasco, D. W.; Daley, Thomas M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bakulin, Andrey] Saudi Aramco, EXPEC Adv Res Ctr, Dhahran 31311, Saudi Arabia. RP Vasco, DW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM dwvasco@lbl.gov RI Daley, Thomas/G-3274-2015; Vasco, Donald/I-3167-2016; Vasco, Donald/G-3696-2015 OI Daley, Thomas/0000-0001-9445-0843; Vasco, Donald/0000-0003-1210-8628; Vasco, Donald/0000-0003-1210-8628 FU Saudi Aramco; US Department of Energy [DE-AC02-05-CH11231]; Office of Basic Energy Sciences; GEOSEQ project for the Assistant Secretary for Fossil Energy, Office of Coal and Power Systems, through the National Energy Technology Laboratory of the US Department of Energy FX Work performed at Lawrence Berkeley National Laboratory was supported by Saudi Aramco and by the US Department of Energy under contract number DE-AC02-05-CH11231, Office of Basic Energy Sciences, and the GEOSEQ project for the Assistant Secretary for Fossil Energy, Office of Coal and Power Systems, through the National Energy Technology Laboratory of the US Department of Energy. NR 98 TC 5 Z9 5 U1 1 U2 16 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD APR PY 2014 VL 197 IS 1 BP 542 EP 556 DI 10.1093/gji/ggt526 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AE6JG UT WOS:000334096600035 ER PT J AU Ivanshin, VA Litvinova, TO Sukhanov, AA Ivanshin, NA Jia, S Bud'ko, SL Canfieldd, PC AF Ivanshin, V. A. Litvinova, T. O. Sukhanov, A. A. Ivanshin, N. A. Jia, S. Bud'ko, S. L. Canfield, P. C. TI Dual nature of electron spin resonance in YbCo2Zn20 intermetallic compound SO JETP LETTERS LA English DT Article ID HEAVY-FERMION COMPOUNDS; PARAMAGNETIC-RESONANCE; METALS; IONS AB In single crystals of YbCo2Zn20 intermetallic compound, two coexisting types of electron spin resonance signals related to the localized magnetic moments of cobalt and to itinerant electrons have been observed in the 4.2-300 K temperature range. It is shown that the relative contribution of itinerant electrons to the total magnetization does not exceed 9%. We argue that the electron dynamics in YbCo2Zn20 and YbCuAl heavy fermion systems is determined by the effects produced by the magnetic subsystem of the localized 3d-electrons. We also discuss general aspects of the electron spin resonance spectroscopy in underdoped ytterbium-based intermetallics and the spectral manifestations of the interplay between the efficiency of the hybridization of f-electrons with the electrons filling outer atomic shells, crystal field effects, and the effects related to the proximity to the quantum critical point. C1 [Ivanshin, V. A.; Litvinova, T. O.] Kazan Volga Reg Fed Univ, Kazan 420111, Russia. [Sukhanov, A. A.] Russian Acad Sci, Kazan Sci Ctr, Zavoisky Phys Tech Inst, Kazan 420029, Russia. [Ivanshin, N. A.] Kazan State Univ Architecture & Engn, Kazan 420043, Russia. [Jia, S.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. [Jia, S.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Ivanshin, VA (reprint author), Kazan Volga Reg Fed Univ, Ul Kremlevskaya 41b, Kazan 420111, Russia. EM Vladimir.Ivanshin@kpfu.ru RI Canfield, Paul/H-2698-2014; Sukhanov, Andrey/M-7814-2016 OI Sukhanov, Andrey/0000-0001-8927-3715 FU Deutscher Akademischer Austausch Deinst (DAAD, German Academic Exchange Service) FX We are very grateful to G. R. Bulka for the assistance in the identification of the crystallographic planes in the sample. V. A. Ivanshin is grateful to Z. Seidov and H.-A. Krug von Nidda for the technical support in reproducing some ESR experiments using the facilities provided by the Augsburg University, Germany, in the framework of the project supported by the scholarship of Deutscher Akademischer Austausch Deinst (DAAD, German Academic Exchange Service). NR 35 TC 3 Z9 3 U1 3 U2 14 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0021-3640 EI 1090-6487 J9 JETP LETT+ JI Jetp Lett. PD APR PY 2014 VL 99 IS 3 BP 153 EP 157 DI 10.1134/S0021364014030096 PG 5 WC Physics, Multidisciplinary SC Physics GA AF0VL UT WOS:000334432200009 ER PT J AU Ciesielski, PE Yu, HJ Johnson, RH Yoneyama, K Katsumata, M Long, CN Wang, JH Loehrer, SM Young, K Williams, SF Brown, W Braun, J Van Hove, T AF Ciesielski, Paul E. Yu, Hungjui Johnson, Richard H. Yoneyama, Kunio Katsumata, Masaki Long, Charles N. Wang, Junhong Loehrer, Scot M. Young, Kathryn Williams, Steven F. Brown, William Braun, John Van Hove, Teresa TI Quality-Controlled Upper-Air Sounding Dataset for DYNAMO/CINDY/AMIE: Development and Corrections SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article DE Data quality control; Radiosonde observations; Aircraft observations; Global positioning systems (GPS); Surface observations ID PRECIPITABLE WATER-VAPOR; RADIATION DRY BIAS; TOGA COARE; HUMIDITY DATA; RADIOSONDE; GPS; OCEAN; ALGORITHM; NETWORK; SENSOR AB The upper-air sounding network for Dynamics of the Madden-Julian Oscillation (DYNAMO) has provided an unprecedented set of observations for studying the MJO over the Indian Ocean, where coupling of this oscillation with deep convection first occurs. With 72 rawinsonde sites and dropsonde data from 13 aircraft missions, the sounding network covers the tropics from eastern Africa to the western Pacific. In total nearly 26 000 soundings were collected from this network during the experiment's 6-month extended observing period (from October 2011 to March 2012). Slightly more than half of the soundings, collected from 33 sites, are at high vertical resolution. Rigorous post-field phase processing of the sonde data included several levels of quality checks and a variety of corrections that address a number of issues (e.g., daytime dry bias, baseline surface data errors, ship deck heating effects, and artificial dry spikes in slow-ascent soundings). Because of the importance of an accurate description of the moisture field in meeting the scientific goals of the experiment, particular attention is given to humidity correction and its validation. The humidity corrections, though small relative to some previous field campaigns, produced high-fidelity moisture analyses in which sonde precipitable water compared well with independent estimates. An assessment of operational model moisture analyses using corrected sonde data shows an overall good agreement with the exception at upper levels, where model moisture and clouds are more abundant than the sonde data would indicate. C1 [Ciesielski, Paul E.; Yu, Hungjui; Johnson, Richard H.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. [Yoneyama, Kunio; Katsumata, Masaki] Japanese Agcy Marine Earth Sci & Technol, Yokosuka, Kanagawa, Japan. [Long, Charles N.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wang, Junhong] SUNY Albany, Dept Atmospher & Environm Sci, Albany, NY 12222 USA. [Wang, Junhong; Loehrer, Scot M.; Young, Kathryn; Williams, Steven F.; Brown, William] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Braun, John; Van Hove, Teresa] Univ Corp Atmospheric Res, Boulder, CO USA. RP Ciesielski, PE (reprint author), Colorado State Univ, Dept Atmospher Sci, 1371 Campus Delivery, Ft Collins, CO 80523 USA. EM paulc@atmos.colostate.edu FU WMO; JMA; National Science Foundation [AGS-1059899, AGS-1138353]; Office of Science of the U.S. Department of Energy as part of the ARM program; Office of Science of the U.S. Department of Energy as part of the Atmospheric System Research (ASR) program FX The success of the sounding operations for DYNAMO is due to countless students, staff, and scientists from many agencies and universities in Japan, Taiwan, the Maldives, and the United States. In particular, we thank the Maldivian Meteorological Service for their unfailing help during field operations. We also acknowledge support from Pay-Liam Lin of National Central University, and Ben Jong-Dao Jou and Po-Hsuing Lin of National Taiwan University for their assistance with supporting equipment and student staffing at Male. Enhancement of sounding operations at Seychelles, Nairobi, and Colombo were made possible by local staff collaborations as well as financial assistance from the WMO and JMA. We greatly appreciate the efforts of Jim Moore and his team at NCAR EOL for their guidance and logistical support of sounding operations during the experiment. We also thank Eric DeWeaver and Brad Smull of the National Science Foundation for supporting sounding operations at Male, Wayne Schubert and Rick Taft for the several insightful discussions; Holger Vomel and Ruud Dirksen for making available the GRUAN-corrected Vaisala data; John Forsythe and Stan Kidder for providing the MIRS PW data; ECMWF for making available its operational analyses; and the WMO for allowing us to use its eighth sonde intercomparison dataset. Finally, special appreciation is extended to Chidong Zhang for his exceptional efforts in orchestrating and implementing DYNAMO. This research has been supported by the National Science Foundation under Grants AGS-1059899 and AGS-1138353. Dr. Long acknowledges support from the Office of Science of the U.S. Department of Energy as part of the ARM and Atmospheric System Research (ASR) programs. NR 43 TC 43 Z9 43 U1 2 U2 19 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 EI 1520-0426 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD APR PY 2014 VL 31 IS 4 BP 741 EP 764 DI 10.1175/JTECH-D-13-00165.1 PG 24 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA AE6XX UT WOS:000334142400001 ER PT J AU Aitken, ML Banta, RM Pichugina, YL Lundquist, JK AF Aitken, Matthew L. Banta, Robert M. Pichugina, Yelena L. Lundquist, Julie K. TI Quantifying Wind Turbine Wake Characteristics from Scanning Remote Sensor Data SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article DE Inverse methods; Renewable energy; Field experiments; Stochastic models; Wind; Remote sensing ID BOUNDARY-LAYER; DOPPLER LIDAR; COMPLEX TERRAIN; POWER DEFICITS; FLOW; FARMS; MODEL; SPEED; DISTRIBUTIONS; DISPERSION AB Because of the dense arrays at most wind farms, the region of disturbed flow downstream of an individual turbine leads to reduced power production and increased structural loading for its leeward counterparts. Currently, wind farm wake modeling, and hence turbine layout optimization, suffers from an unacceptable degree of uncertainty, largely because of a lack of adequate experimental data for model validation. Accordingly, nearly 100 h of wake measurements were collected with long-range Doppler lidar at the National Wind Technology Center at the National Renewable Energy Laboratory in the Turbine Wake and Inflow Characterization Study (TWICS). This study presents quantitative procedures for determining critical parameters from this extensive dataset-such as the velocity deficit, the size of the wake boundary, and the location of the wake centerline-and categorizes the results by ambient wind speed, turbulence, and atmospheric stability. Despite specific reference to lidar, the methodology is general and could be applied to extract wake characteristics from other remote sensor datasets, as well as computational simulation output. The observations indicate an initial velocity deficit of 50%-60% immediately behind the turbine, which gradually declines to 15%-25% at a downwind distance x of 6.5 rotor diameters (D). The wake expands with downstream distance, albeit less so in the vertical direction due to the presence of the ground: initially the same size as the rotor, the extent of the wake grows to 2.7D (1.2D) in the horizontal (vertical) at x = 6.5D. Moreover, the vertical location of the wake center shifts upward with downstream distance because of the tilt of the rotor. C1 [Aitken, Matthew L.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Banta, Robert M.; Pichugina, Yelena L.] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Pichugina, Yelena L.] Univ Colorado, NOAA, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Lundquist, Julie K.] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA. [Lundquist, Julie K.] Natl Renewable Energy Lab, Golden, CO USA. RP Aitken, ML (reprint author), Univ Colorado, Dept Phys, 390 UCB, Boulder, CO 80309 USA. EM matthew.aitken@colorado.edu RI Banta, Robert/B-8361-2008; Manager, CSD Publications/B-2789-2015; OI LUNDQUIST, JULIE/0000-0001-5490-2702 FU U.S. Department of Energy's Wind and Hydropower Technologies program FX It is our distinct pleasure to thank Alan Brewer, Raul Alvarez, and Scott Sandberg at NOAA for their efforts in collecting, processing, and interpreting the HRDL data. Much credit goes to Kelley Hestmark, a recent graduate of the University of Colorado Boulder, for her assistance with the initial data analysis. We are also immensely grateful for the help of Michael Ritzwoller and Balaji Rajagopalan at the University of Colorado Boulder, who both graciously offered indispensable advice regarding parameter estimation and inverse problems. Many thanks also to Andrew Clifton at NREL for his encouragement and valuable suggestions, to Neil Kelley for helping design the experiment, and to Jeffrey Mirocha at Lawrence Livermore National Laboratory for technical management of the project. We greatly appreciate the staff of the turbine manufacturer for its facilitation of observational periods. This work benefited greatly from anonymous reviewer comments and was sponsored by the U.S. Department of Energy's Wind and Hydropower Technologies program, under the direction of the Office of Energy Efficiency and Renewable Energy. NR 56 TC 22 Z9 22 U1 5 U2 31 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 EI 1520-0426 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD APR PY 2014 VL 31 IS 4 BP 765 EP 787 DI 10.1175/JTECH-D-13-00104.1 PG 23 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA AE6XX UT WOS:000334142400002 ER PT J AU Van Brunt, E Agarwal, A Burk, A Cheng, L O'Loughlin, M Palmour, J Suvorov, A AF Van Brunt, Edward Agarwal, Anant Burk, Al Cheng, Lin O'Loughlin, Michael Palmour, John Suvorov, Alexander TI A Comparison of the Microwave Photoconductivity Decay and Open-Circuit Voltage Decay Lifetime Measurement Techniques for Lifetime-Enhanced 4H-SiC Epilayers SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE Silicon carbide; minority carrier lifetime; lifetime measurement; lifetime enhancement ID CARRIER LIFETIME; DIODES AB This work compares the optical microwave photoconductivity decay (mu PCD) and electrical open-circuit voltage decay (OCVD) techniques for measuring the ambipolar carrier lifetime in 4H-silicon carbide (4H-SiC) epitaxial layers. Lifetime measurements were carried out by fabricating P+/intrinsic/N+ (PiN) diodes on 100-mu m-thick, 1 x 10(14) cm(-3) to 4.5 x 10(14) cm(-3) doped N-type 4 H-SiC epilayers, and measuring the lifetime optically using mu PCD prior to metallization, then electrically using OCVD after contact deposition. Both as-grown epilayers as well as epilayers with improved lifetime (via thermal oxidation) were measured using both techniques. The observed ambipolar lifetime was improved from 1.4 mu s on an unenhanced wafer to 4 mu s on a wafer enhanced through the oxidation process as measured by mu PCD. Little difference was observed between the mu PCD and OCVD measurements on the unenhanced wafer; the ambipolar lifetime on the enhanced wafer measured by OCVD was approximately 5.5 mu s, or 1.5 mu s higher than the mu PCD measurement. Continuous evaluation of the OCVD transient waveform was necessary due to the high lifetime in the enhanced wafer; shunt resistances included to discharge the P+/N junction capacitance were found to damp the OCVD response and yield low values for the measured lifetime. Simulation of the mu PCD measurement including various surface recombination conditions yielded a good match to experimentally observed mu PCD measurements for high values of the surface recombination velocity. The OCVD lifetime measurement technique is expected to yield measured lifetime values closer to the physical value due to its independence from surface conditions, provided that the experimental conditions are appropriately chosen. C1 [Van Brunt, Edward; Burk, Al; Cheng, Lin; O'Loughlin, Michael; Palmour, John; Suvorov, Alexander] Cree Inc, Durham, NC 27703 USA. [Agarwal, Anant] US DOE, Washington, DC 20585 USA. RP Van Brunt, E (reprint author), Cree Inc, 4600 Silicon Dr, Durham, NC 27703 USA. EM edward.vanbrunt@cree.com NR 16 TC 0 Z9 0 U1 3 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD APR PY 2014 VL 43 IS 4 BP 809 EP 813 DI 10.1007/s11664-013-2836-0 PG 5 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA AE7MR UT WOS:000334182700001 ER PT J AU Zhou, LQ Chen, CY Jia, HF Ling, C Banerjee, D Phillips, JD Wang, YQ AF Zhou, Li Qin Chen, Chihyu Jia, Hongfei Ling, Chen Banerjee, Debasish Phillips, Jamie D. Wang, Yongqiang TI Oxygen Incorporation in ZnTeO Alloys via Molecular Beam Epitaxy SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE ZnTeO; highly mismatched alloy; oxygen defect; molecular beam; epitaxy ID PHOTOLUMINESCENCE PROPERTIES; NITROGEN INCORPORATION; SOLAR-CELLS; EFFICIENCY; PRESSURE; LATTICE AB Highly mismatched ZnTeO alloys were grown by molecular beam epitaxy under various oxygen partial pressures (10(-7) Torr, 10(-6) Torr, and 10(-5) Torr). Despite this large variation in oxygen partial pressure, there was almost no change in the concentration of incorporated oxygen. However, increasing the oxygen partial pressure significantly enhanced the photoluminescence of the oxygen-related transition at 1.9 eV. The evolution of lattice constants, as determined by high-resolution x-ray diffraction, appeared to follow Vegard's law for ideal substitutional alloys for ZnTeO films prepared at 10(-7) Torr and 10(-6) Torr, while a pronounced deviation occurred at 10(-5) Torr. Channeling nuclear reaction analysis further revealed the complexity of oxygen incorporation, as no significant shadowing was observed from the epitaxial films. The evidence suggests that the oxygen location in ZnTeO is more complicated than O-Te substitutional defects in a homogeneous solid solution, and that the configuration of the oxygen dopant might play an important role in the band structure and optical properties of the alloys. C1 [Zhou, Li Qin; Jia, Hongfei; Ling, Chen; Banerjee, Debasish] Toyota Res Inst North Amer, Mat Res Dept, Ann Arbor, MI 48105 USA. [Chen, Chihyu; Phillips, Jamie D.] Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. [Wang, Yongqiang] Los Alamos Natl Lab, Mat Sci & Technol Div, Ion Beam Mat Lab, Los Alamos, NM 87545 USA. RP Zhou, LQ (reprint author), Toyota Res Inst North Amer, Mat Res Dept, Ann Arbor, MI 48105 USA. EM hongfei.jia@tema.toyota.com; jphilli@umich.edu RI Phillips, Jamie/E-9394-2010 FU US Department of Energy [DE-AC52-06NA25396] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility 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 DE-AC52-06NA25396. NR 23 TC 0 Z9 0 U1 2 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD APR PY 2014 VL 43 IS 4 BP 889 EP 893 DI 10.1007/s11664-013-2960-x PG 5 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA AE7MR UT WOS:000334182700015 ER PT J AU Ma, TH Li, CJ Lu, ZM AF Ma, Tuhua Li, Changjiang Lu, Zhiming TI Estimating the average concentration of minor and trace elements in surficial sediments using fractal methods SO JOURNAL OF GEOCHEMICAL EXPLORATION LA English DT Article DE Fractal distribution; Fractal averaging; Minor and trace elements; Censored data; Environmental geochemistry ID COMPOSITIONAL DATA-ANALYSIS; CONTINENTAL-CRUST; GEOCHEMICAL ANOMALIES; CHEMICAL-COMPOSITION; DETECTION LIMITS; DATA SETS; DISTRIBUTIONS; STATISTICS; SEPARATION; CHINA AB The methods chosen to calculate the average value of the concentration for any geochemical element should depend on the probability distribution of the element abundance data. In this study, a fractal-based method was introduced to estimate the mean concentrations of geochemical elements that follow fractal frequency distributions. The fractal-based method has been tested on two abundance datasets for Ag, As, Au, Cu, Pb, Zn, Ce, Cr, and U from 529 floodplain sediment samples in China and from 10,927 stream sediment samples in Zhejiang Province, China. We compared the fractal method with other methods, including the arithmetic averaging, geometric averaging, and median, and found that there exist large discrepancies among these averages. The results show that the average calculated using the fractal-based method is always smaller than the arithmetic average and also generally smaller than the geometric mean and the median. The discrepancies may be attributed to the fact that the datasets follow a fractal distribution rather than a normal or a lognormal distribution. This study indicates that calculated arithmetic mean, geometric mean, or median may overestimate the average concentrations for elements that follow a fractal distribution. (C) 2013 Elsevier B.V. All rights reserved. C1 [Ma, Tuhua; Li, Changjiang] Zhejiang Informat Ctr Land & Resources, Hangzhou 310007, Zhejiang, Peoples R China. [Lu, Zhiming] Los Alamos Natl Lab, Computat Earth Sci Grp EES 16, Los Alamos, NM 87545 USA. RP Li, CJ (reprint author), Zhejiang Informat Ctr Land & Resources, Hangzhou 310007, Zhejiang, Peoples R China. EM zjigmr@mail.hz.zj.cn; Zhiming@lanl.gov OI Lu, Zhiming/0000-0001-5800-3368 NR 40 TC 7 Z9 7 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-6742 EI 1879-1689 J9 J GEOCHEM EXPLOR JI J. Geochem. Explor. PD APR PY 2014 VL 139 SI SI BP 207 EP 216 DI 10.1016/j.gexplo.2013.08.008 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AF1NK UT WOS:000334480400022 ER PT J AU Anselmino, M Boglione, M Gonzalez, HJO Melis, S Prokudin, A AF Anselmino, M. Boglione, M. Gonzalez, J. O. H. Melis, S. Prokudin, A. TI Unpolarised transverse momentum dependent distribution and fragmentation functions from SIDIS multiplicities SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Phenomenological Models; QCD Phenomenology ID DEEP-INELASTIC SCATTERING; SPIN PRODUCTION ASYMMETRIES; HARD-SCATTERING; EVOLUTION; HADRONS AB The unpolarised transverse momentum dependent distribution and fragmentation functions are extracted from HERMES and COMPASS experimental measurements of SIDIS multiplicities for charged hadron production. The data are grouped into independent bins of the kinematical variables, in which the TMD factorisation is expected to hold. A simple factorised functional form of the TMDs is adopted, with a Gaussian dependence on the intrinsic transverse momentum, which turns out to be quite adequate in shape. HERMES data do not need any normalisation correction, while fits of the COMPASS data much improve with a y - dependent overall normalisation factor. A comparison of the extracted TMDs with previous EMC and JLab data confirms the adequacy of the simple Gaussian distributions. The possible role of the TMD evolution is briefly considered. C1 [Anselmino, M.; Boglione, M.; Melis, S.] Univ Turin, Dipartimento Fis Teor, I-10125 Turin, Italy. [Anselmino, M.; Boglione, M.; Gonzalez, J. O. H.; Melis, S.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Prokudin, A.] Jefferson Lab, Newport News, VA 23606 USA. RP Anselmino, M (reprint author), Univ Turin, Dipartimento Fis Teor, Via P Giuria 1, I-10125 Turin, Italy. EM anselmino@to.infn.it; boglione@to.infn.it; joghdr@gmail.com; melis@to.infn.it; prokudin@jlab.gov OI Boglione, Mariaelena/0000-0002-3647-1731; Melis, Stefano/0000-0001-7316-4346; Anselmino, Mauro/0000-0003-0900-8001 FU U.S. Department of Energy [DE-AC05-06OR23177]; European Community [283286]; Progetto di Ricerca Ateneo/CSP [TO-Call3-2012-0103] FX A. P. work is supported by U.S. Department of Energy Contract No. DE-AC05-06OR23177.; M.A. and M. B. acknowledge support from the European Community under the FP7 "Capacities - Research Infrastructures" program (HadronPhysics3, Grant Agreement 283286).; M.A, M. B. and S. M. acknowledge support from the "Progetto di Ricerca Ateneo/CSP" (codice TO-Call3-2012-0103). NR 43 TC 17 Z9 17 U1 1 U2 3 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 APR 1 PY 2014 IS 4 AR 005 DI 10.1007/JHEP04(2014)005 PG 29 WC Physics, Particles & Fields SC Physics GA AE7OD UT WOS:000334186900004 ER PT J AU Devi, VM Kleiner, I Sams, RL Brown, LR Benner, DC Fletcher, LN AF Devi, V. Malathy Kleiner, Isabelle Sams, Robert L. Brown, Linda R. Benner, D. Chris Fletcher, Leigh N. TI Line positions and intensities of the phosphine (PH3) Pentad near 4.5 mu m SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE PH3 Line positions; Intensities Infrared fundamentals; Pentad ID SPECTROSCOPIC PARAMETERS; SPECTRUM; BANDS; ATMOSPHERE; JUPITER; GAS; NH3; ASSIGNMENTS; STRENGTHS; MOLECULE AB In order to improve the spectroscopic database for remote sensing of the giant planets, line positions and intensities are determined for the five bands (2v(2), v(2) + v(4), 2v(4), v(1) and v(3)) that comprise the Pentad of PH3 between 1950 and 2450 cm(-1). Knowledge of PH3 spectral line parameters in this region is important for the exploration of dynamics and chemistry on Saturn, (using existing Cassini/VIMS observations) and future near-IR data of Jupiter from Juno and ESA's Jupiter Icy Moons Explorer (JUICE). For this study, spectra of pure PH3 from two Fourier transform spectrometers were obtained: (a) five high-resolution (0.00223 cm(-1)), high signal-to-noise (similar to 1800) spectra recorded at room temperature (298.2 K) with the Bruker IFS 125HR Fourier transform spectrometer (FTS) at the Pacific Northwest National Laboratory (PNNL), Richland, Washington and(b) four high-resolution (at 0.0115 cm(-1) resolution), high signal-to-noise (similar to 700) spectra recorded at room temperature in the region 1800-5200 cm(-1) using the McMath-Pierce Fourier transform spectrometer located at the National Solar Observatory (NSO) on Kitt Peak. Individual line parameters above 2150 cm(-1) were retrieved by simultaneous multispectrum fittings of all five Bruker spectra, while retrievals with the four Kitt Peak spectra were done in the 1938-2168 cm(-1) range spectrum by spectrum and averaged. In all, positions and intensities were obtained for more than 4400 lines. These included 53 A+A-split pairs of transitions (arising due to vibration-rotation interactions (Coriolis-type interaction) between the v3 and v(1) fundamental bands) for K" = 3, 6, and 9. Over 3400 positions and 1750 intensities of these lines were ultimately identified as relatively unblended and modeled up to J = 14 and K= 12 with rms values of 0.00133 cm(-1) and 7.7%, respectively. The PH3 line parameters (observed positions and measured intensities with known quantum assignments) and Hamiltonian constants are reported. Comparisons with other recent studies are discussed. (C) 2014 Elsevier Inc. All rights reserved. C1 [Devi, V. Malathy; Benner, D. Chris] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [Kleiner, Isabelle] Univ Paris Est & Diderot, Lab Interuniv Syst Atmospher, CNRS, IPSL,UMR 7583, F-94010 Creteil, France. [Sams, Robert L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Brown, Linda R.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Fletcher, Leigh N.] Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. RP Devi, VM (reprint author), Coll William & Mary, Dept Phys, Box 8795, Williamsburg, VA 23187 USA. EM malathy.d.venkataraman@nasa.gov RI Fletcher, Leigh/D-6093-2011 OI Fletcher, Leigh/0000-0001-5834-9588 FU College of William and Mary. Research at the Jet propulsion Laboratory (JPL), California Institute of Technology; Department of Energy's Office of Biological and Environmental Research; United States Department of Energy by the Battelle Memorial Institute [DE-ACO5-76RLO 1830] FX NASA's Outer Planetary Research Program supported the work performed at the College of William and Mary. Research at the Jet propulsion Laboratory (JPL), California Institute of Technology, was performed under contract with the National Aeronautics and Space Administration. The United States Department of Energy supported part of this research and was conducted at the W.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 the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by the Battelle Memorial Institute under Contract DE-ACO5-76RLO 1830. L.N. Fletcher was supported by a Royal Society Research Fellowship at the University of Oxford. NR 38 TC 5 Z9 5 U1 1 U2 12 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-2852 EI 1096-083X J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD APR PY 2014 VL 298 BP 11 EP 23 DI 10.1016/j.jms.2014.01.0130022-2852 PG 13 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA AE8MT UT WOS:000334256700003 ER PT J AU Vizcaino, P Santisteban, JR Alvarez, MAV Banchik, AD Almer, J AF Vizcaino, P. Santisteban, J. R. Vicente Alvarez, M. A. Banchik, A. D. Almer, J. TI Effect of crystallite orientation and external stress on hydride precipitation and dissolution in Zr2.5%Nb SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID TERMINAL SOLID SOLUBILITY; WT-PERCENT NB; ZIRCONIUM ALLOYS; FORMING METALS; HYDROGEN; DIFFRACTION; ZIRCALOY-4; CRACKING; TEXTURE; NIOBIUM AB Thermal cycling of Zr2.5%Nb pressure tubes specimens containing similar to 100 wt ppm H between room temperature and 400 degrees C produces the dissolution and re-precipitation of zirconium hydride, with a distinctive hysteresis between these two processes. In this work, we have found that the details of the precipitation and dissolution depend on the actual orientation of the alpha-Zr grains where hydride precipitation takes place. In situ synchrotron X-ray diffraction experiments during such thermal cycles have provided information about hydride precipitation specific to the two most important groups of alpha-Zr phase orientations, namely crystallites having c-axes parallel (m(Hoop)) and tilted by similar to 20 degrees (m(Tilted)) from the tube hoop direction. The results indicate that hydrides precipitate at slightly higher temperatures (similar to 5 degrees C), and dissolve at consistently higher temperatures (similar to 15 degrees C) in m(Tilted) grains than in m(Hoop) grains. Moreover, application of a tensile stress along the tube hoop direction results in two noticeable effects in hydride precipitation. Firstly, it shifts hydride precipitation towards higher temperatures, at a rate of similar to(0.08 +/- 0.02) degrees C/MPa for hydrides precipitated in the m(Hoop) grains. Secondly, it produces a redistribution of hydrogen between grains of different orientations, increasing hydride precipitation on those alpha-Zr grains having their c-axes stretched by the external load. A detailed analysis of the diffracted signal shows that such redistribution occurs during the precipitation stage, as a result of changes in the precipitation temperatures for different grain orientations. (C) 2013 Elsevier B.V. All rights reserved. C1 [Vizcaino, P.; Banchik, A. D.] CNEA, Ctr Atom Ezeiza, Buenos Aires, DF, Argentina. [Santisteban, J. R.; Vicente Alvarez, M. A.] CNEA CONICET, Ctr Atom Bariloche, San Carlos De Bariloche, Rio Negro, Argentina. [Santisteban, J. R.; Vicente Alvarez, M. A.] Inst Balseiro, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. [Almer, J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Santisteban, JR (reprint author), CNEA CONICET, Ctr Atom Bariloche, San Carlos De Bariloche, Rio Negro, Argentina. EM j.r.santisteban@cab.cnea.gov.ar FU CONICET [PIP-542-2011]; IAEA [17252]; U.S. Department of Energy [DE-AC02-06CH11357] FX The authors wish to thank A. Motta, K. Colas, M.R. Daymond and M. Kerr for experimental help and fruitful discussions; and the referees of this manuscript for many useful suggestions about interpretation of the present results. This research was partially funded by CONICET under PIP-542-2011, and by IAEA under Research Contract 17252. Usage of the Advanced Photon Source was supported by the U.S. Department of Energy, under Contract No. DE-AC02-06CH11357. NR 38 TC 7 Z9 7 U1 3 U2 17 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 APR PY 2014 VL 447 IS 1-3 BP 82 EP 93 DI 10.1016/j.jnucmat.2013.12.025 PG 12 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AE6UX UT WOS:000334134600012 ER PT J AU Ben-Belgacem, M Richet, V Terrani, KA Katoh, Y Snead, LL AF Ben-Belgacem, M. Richet, V. Terrani, K. A. Katoh, Y. Snead, L. L. TI Thermo-mechanical analysis of LWR SiC/SiC composite cladding SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SILICON-CARBIDE; IRRADIATION; CREEP; IMPLEMENTATION; TEMPERATURE; MECHANISMS; REACTORS; MATLAB AB A dedicated framework for thermo-mechanical analysis of the in-pile performance of SiC/SiC composite fuel cladding concepts in LWRs has been developed. This analysis framework focuses on cladding and omits any fuel-cladding interaction and fuel behaVior. Since radial expansion of the cladding occurs early in life for these ceramic structures, fuel-cladding contact is expected to be delayed or eliminated and therefore it is not considered in this analysis. The analysis inputs recent out-of-pile and in-pile materials property data and phenomenological understanding of material evolution under neutron irradiation for nuclear-grade SiC/SiC composites to provide a best-estimate analysis. The analysis provides insight into the concept design and feasibility of SiC/SiC composite cladding concepts that exhibit significantly different behavior than metallic cladding structures. In particular, absence of any tangible creep (thermal or irradiation) coupled with a large and temperature-gradient-driven irradiation swelling strain gradient across the cladding, drive development of large stresses across the cladding thickness. The resulting analysis indicates that significant stresses develop after a modest neutron dose (similar to 1 dpa) and a pronounced variation across the cladding thickness exists and is opposite to that observed for metallic cladding structures where swelling or growth strains are either negligible (with small temperature dependence) or absent. Following this thermo-mechanical analysis, a best-estimate and parametric examination of SiC/SiC fuel rod cladding structures has been performed using appropriate Weibull statistics to prescribe basic design guidelines and to begin to define a probable design space. (C) 2014 Elsevier B.V. All rights reserved. C1 [Ben-Belgacem, M.; Richet, V.] Ecole Polytech, F-91128 Palaiseau, France. [Terrani, K. A.; Katoh, Y.; Snead, L. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Terrani, KA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM terranika@ornl.gov FU Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, US Department of Energy FX The aid and technical insight of Joe Rashid and Robert Dunham at Anatech Corp. is gratefully acknowledged. Thorough examination of the manuscript by Alexander Barashev at ORNL is also recognized. The work presented in this paper was partially supported by the Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, US Department of Energy. NR 40 TC 23 Z9 23 U1 5 U2 45 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 APR PY 2014 VL 447 IS 1-3 BP 125 EP 142 DI 10.1016/j.jnucmat.2014.01.006 PG 18 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AE6UX UT WOS:000334134600016 ER PT J AU Park, Y Yoo, J Huang, K Keiser, DD Jue, JF Rabin, B Moore, G Sohn, YH AF Park, Y. Yoo, J. Huang, K. Keiser, D. D., Jr. Jue, J. F. Rabin, B. Moore, G. Sohn, Y. H. TI Growth kinetics and microstructural evolution during hot isostatic pressing of U-10 wt.% Mo monolithic fuel plate in AA6061 cladding with Zr diffusion barrier SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID U-MO; DISPERSION FUEL; REACTION LAYER; HIGH-DENSITY; SI; MATRIX; ALLOY AB Phase constituents and microstructure changes in RERTR fuel plate assemblies as functions of temperature and duration of hot-isostatic pressing (HIP) during fabrication were examined. The HIP process was carried out as functions of temperature (520, 540, 560 and 580 degrees C for 90 min) and time (45-345 min at 560 degrees C) to bond 6061 Al-alloy to the Zr diffusion barrier that had been co-rolled with U-10 wt.% Mo (U10Mo) fuel monolith prior to the HIP process. Scanning and transmission electron microscopies were employed to examine the phase constituents, microstructure and layer thickness of interaction products from interdiffusion. At the interface between the U10Mo and Zr, following the co-rolling, the UZr2 phase was observed to develop adjacent to Zr, and the alpha-U phase was found between the UZr2 and U10Mo, while the Mo2Zr was found as precipitates mostly within the alpha-U phase. The phase constituents and thickness of the interaction layer at the U10Mo-Zr interface remained unchanged regardless of HIP processing variation. Observable growth due to HIP was only observed for the (Al,Si)(3)Zr phase found at the Zr/AA6061 interface, however, with a large activation energy of 457 +/- 28 kJ/mole. Thus, HIP can be carried to improve the adhesion quality of fuel plate without concern for the excessive growth of the interaction layer, particularly at the U10Mo-Zr interface with the alpha-U, Mo2Zr, and UZr2 phases. (C) 2014 Elsevier B.V. All rights reserved. C1 [Park, Y.; Yoo, J.; Huang, K.; Sohn, Y. H.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Dept Mat Sci & Engn, Orlando, FL 32816 USA. [Keiser, D. D., Jr.; Jue, J. F.; Rabin, B.; Moore, G.] Idaho Natl Lab, Idaho Falls, ID 83401 USA. RP Sohn, YH (reprint author), Univ Cent Florida, Adv Mat Proc & Anal Ctr, Dept Mat Sci & Engn, Orlando, FL 32816 USA. EM Yongho.sohn@ucf.edu RI Sohn, Yongho/A-8517-2010 OI Sohn, Yongho/0000-0003-3723-4743 FU U.S. Department of Energy, Office of Nuclear Materials Threat Reduction [NA-212]; National Nuclear Security Administration, under DOE-NE Idaho Operations Office [DE-AC07-051D14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Materials Threat Reduction (NA-212), National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-051D14517. Accordingly, the U.S. Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. NR 19 TC 5 Z9 5 U1 1 U2 11 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 APR PY 2014 VL 447 IS 1-3 BP 215 EP 224 DI 10.1016/j.jnucmat.2014.01.018 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AE6UX UT WOS:000334134600026 ER PT J AU Borovikov, V Voter, AF Tang, XZ AF Borovikov, Valery Voter, Arthur F. Tang, Xian-Zhu TI Reflection and implantation of low energy helium with tungsten surfaces SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID MOLECULAR-DYNAMICS; SIMULATIONS; METALS; COEFFICIENTS; POTENTIALS; ATOMS AB Reflection and implantation of low energy helium (He) ions by tungsten (W) substrate are studied using molecular dynamics (MD) simulations. Motivated by the ITER divertor design, our study considers a range of W substrate temperatures (300 K, 1000 K, 1500 K), a range of He atom incidence energies (<= 100 eV) and a range of angles of incidence (0-75 degrees) with respect to substrate normal. The MD simulations quantify the reflection and implantation function, the integrated moments such as the particle/energy reflection coefficients and average implantation depths. Distributions of implantation depths, reflected energy, polar and azimuthal angles of reflection are obtained, as functions of simulation parameters, such as W substrate temperature, polar angle of incidence, the energy of incident He, and the type of W substrate surface. Comparison between the MD simulation results, the results obtained using SRIM simulation package, and the existing experimental and theoretical results is provided. Published by Elsevier B.V. C1 [Borovikov, Valery; Voter, Arthur F.; Tang, Xian-Zhu] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Borovikov, V (reprint author), Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. EM valery@lanl.gov; afv@lanl.gov; xtang@lanl.gov FU United States Department of Energy (U.S. DOE), through the Office of Fusion Energy Science; Office of Basic Energy Sciences; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396] FX We wish to thank N. Juslin for sharing the W and W-He interatomic potentials and T. Tabata for alerting us about typos in the reproduction of their fitting formulas in Ref. [9]. This work at Los Alamos National Laboratory (LANL) was supported by the United States Department of Energy (U.S. DOE), through the Office of Fusion Energy Science (VB and XZT), and the Office of Basic Energy Sciences (AFV). LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE, under contract DE-AC52-06NA25396. NR 24 TC 13 Z9 13 U1 1 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD APR PY 2014 VL 447 IS 1-3 BP 254 EP 270 DI 10.1016/j.jnucmat.2014.01.021 PG 17 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AE6UX UT WOS:000334134600031 ER PT J AU Chen, QS Ostien, JT Hansen, G AF Chen, Qiushi Ostien, Jakob T. Hansen, Glen TI Development of a used fuel cladding damage model incorporating circumferential and radial hydride responses SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID EMBEDDED ANALYSIS CAPABILITIES; MANAGING SOFTWARE COMPLEXITY; MULTIPHYSICS SIMULATION; NUCLEAR AB At the completion of the fuel drying process, used fuel Zry4 cladding typically exhibits a significant population of delta-hydride inclusions. These inclusions are in the form of small platelets that are generally oriented both circumferentially and radially within the cladding material. There is concern that radially-oriented hydride inclusions may weaken the cladding material and lead to issues during used fuel storage and transportation processes. A high fidelity model of the mechanical behavior of hydrides has utility in both designing fuel cladding to be more resistant to this hydride-induced weakening and also in suggesting modifications to drying, storage, and transport operations to reduce the impact of hydride formation and/or the avoidance of loading scenarios that could overly stress the radial inclusions. We develop a mechanical model for the Zry4-hydride system that, given a particular morphology of hydride inclusions, allows the calculation of the response of the hydrided cladding under various loading scenarios. The model treats the Zry4 matrix material as J(2) elastoplastic, and treats the hydrides as platelets oriented in predefined directions (e.g., circumferentially and radially). The model is hosted by the Albany analysis framework, where a finite element approximation of the weak form of the cladding boundary value problem is solved using a preconditioned Newton-Krylov approach. Instead of forming the required system Jacobian operator directly or approximating its action with a differencing operation, Albany leverages the Trilinos Sacado package to form the Jacobian via automatic differentiation. We present results that describe the performance of the model in comparison with as-fabricated Zry4 as well as HB Robinson fuel cladding. Further, we also present performance results that demonstrate the efficacy of the overall solution method employed to host the model. (C) 2013 Elsevier B.V. All rights reserved. C1 [Chen, Qiushi] Clemson Univ, Glenn Dept Civil Engn, Clemson, SC 29634 USA. [Ostien, Jakob T.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94551 USA. [Hansen, Glen] Sandia Natl Labs, Computat Multiphys Dept 1443, Albuquerque, NM 87185 USA. RP Hansen, G (reprint author), Sandia Natl Labs, Computat Multiphys Dept 1443, POB 5800, Albuquerque, NM 87185 USA. EM qiushi@clemson.edu; jtostie@sandia.gov; gahanse@sandia.gov RI Ostien, Jakob/K-7053-2012; OI Hansen, Glen/0000-0002-1786-9285 FU U.S. Department of Energy's National Nuclear Security Administration 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 35 TC 6 Z9 6 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD APR PY 2014 VL 447 IS 1-3 BP 292 EP 303 DI 10.1016/j.jnucmat.2014.01.001 PG 12 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AE6UX UT WOS:000334134600035 ER PT J AU Shugard, AD Buffleben, GM Johnson, TA Robinson, DB AF Shugard, Andrew D. Buffleben, George M. Johnson, Terry A. Robinson, David B. TI Isotope exchange between gaseous hydrogen and uranium hydride powder SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID GAS HANDLING-SYSTEM; PALLADIUM HYDRIDE; SEPARATION; CHROMATOGRAPHY; METAL; DIFFUSION; BED; DEUTERIUM; MEMBRANES; KINETICS AB Isotope exchange between gaseous hydrogen and solid uranium hydride has been studied by flowing hydrogen (deuterium) gas through packed powder beds of uranium deuteride (hydride). We used a residual gas analyzer system to perform real-time analysis of the effluent gas composition. We also developed an exchange and transport model and, by fitting it to the experimental data, extracted kinetic parameters for the isotope exchange reaction. Our results suggest that, from approximately 70 to 700 kPa and 25 to 400 degrees C, the gas-to-solid exchange rate is controlled by hydrogen and deuterium transport within the similar to 0.7 mu m diameter uranium hydride particles. We use our kinetic parameters to show that gas chromatographic separation of hydrogen and deuterium using uranium hydride could be feasible. (C) 2013 Elsevier B.V. All rights reserved. C1 [Shugard, Andrew D.; Buffleben, George M.; Johnson, Terry A.; Robinson, David B.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Shugard, AD (reprint author), Sandia Natl Labs, 7011 East Ave,MS9561, Livermore, CA 94550 USA. EM adshuga@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Laboratory-Directed Sandia 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. The work was funded in part by the Laboratory-Directed Sandia. NR 51 TC 6 Z9 6 U1 1 U2 25 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 APR PY 2014 VL 447 IS 1-3 BP 304 EP 313 DI 10.1016/j.jnucmat.2013.09.037 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AE6UX UT WOS:000334134600036 ER PT J AU Baker, ES Burnum-Johnson, KE Jacobs, JM Diamond, DL Brown, RN Ibrahim, YM Orton, DJ Piehowski, PD Purdy, DE Moore, RJ Danielson, WF Monroe, ME Crowell, KL Slysz, GW Gritsenko, MA Sandoval, JD LaMarche, BL Matzke, MM Webb-Robertson, BJM Simons, BC McMahon, BJ Bhattacharya, R Perkins, JD Carithers, RL Strom, S Self, SG Katze, MG Anderson, GA Smith, RD AF Baker, Erin Shammel Burnum-Johnson, Kristin E. Jacobs, Jon M. Diamond, Deborah L. Brown, Roslyn N. Ibrahim, Yehia M. Orton, Daniel J. Piehowski, Paul D. Purdy, David E. Moore, Ronald J. Danielson, William F., III Monroe, Matthew E. Crowell, Kevin L. Slysz, Gordon W. Gritsenko, Marina A. Sandoval, John D. LaMarche, Brian L. Matzke, Melissa M. Webb-Robertson, Bobbie-Jo M. Simons, Brenna C. McMahon, Brian J. Bhattacharya, Renuka Perkins, James D. Carithers, Robert L., Jr. Strom, Susan Self, Steven G. Katze, Michael G. Anderson, Gordon A. Smith, Richard D. TI Advancing the High Throughput Identification of Liver Fibrosis Protein Signatures Using Multiplexed Ion Mobility Spectrometry* SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID FLIGHT MASS-SPECTROMETRY; CHRONIC HEPATITIS-C; PERSONALIZED MEDICINE; PROTEOMICS; MS; EXPRESSION; INFECTION; DISEASES; PROGRESS; PROMISE AB Rapid diagnosis of disease states using less invasive, safer, and more clinically acceptable approaches than presently employed is a crucial direction for the field of medicine. While MS-based proteomics approaches have attempted to meet these objectives, challenges such as the enormous dynamic range of protein concentrations in clinically relevant biofluid samples coupled with the need to address human biodiversity have slowed their employment. Herein, we report on the use of a new instrumental platform that addresses these challenges by coupling technical advances in rapid gas phase multiplexed ion mobility spectrometry separations with liquid chromatography and MS to dramatically increase measurement sensitivity and throughput, further enabling future high throughput MS-based clinical applications. An initial application of the liquid chromatography - ion mobility spectrometry-MS platform analyzing blood serum samples from 60 postliver transplant patients with recurrent fibrosis progression and 60 nontransplant patients illustrates its potential utility for disease characterization. C1 [Baker, Erin Shammel; Burnum-Johnson, Kristin E.; Jacobs, Jon M.; Brown, Roslyn N.; Ibrahim, Yehia M.; Orton, Daniel J.; Piehowski, Paul D.; Moore, Ronald J.; Danielson, William F., III; Monroe, Matthew E.; Crowell, Kevin L.; Slysz, Gordon W.; Gritsenko, Marina A.; Sandoval, John D.; LaMarche, Brian L.; Matzke, Melissa M.; Webb-Robertson, Bobbie-Jo M.; Anderson, Gordon A.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Baker, Erin Shammel; Burnum-Johnson, Kristin E.; Jacobs, Jon M.; Brown, Roslyn N.; Ibrahim, Yehia M.; Orton, Daniel J.; Piehowski, Paul D.; Moore, Ronald J.; Danielson, William F., III; Monroe, Matthew E.; Crowell, Kevin L.; Slysz, Gordon W.; Gritsenko, Marina A.; Sandoval, John D.; LaMarche, Brian L.; Matzke, Melissa M.; Webb-Robertson, Bobbie-Jo M.; Anderson, Gordon A.; Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Diamond, Deborah L.] Univ Washington, Dept Pharmaceut, Seattle, WA 98195 USA. [Purdy, David E.; Carithers, Robert L., Jr.; Katze, Michael G.] Univ Washington, Sch Med, Dept Microbiol, Seattle, WA 98195 USA. [Bhattacharya, Renuka; Strom, Susan] Univ Washington, Dept Med, Div Gastroenterol, Seattle, WA USA. [Perkins, James D.] Univ Washington, Dept Surg, Div Transplantat, Seattle, WA 98195 USA. [Self, Steven G.] Fred Hutchinson Canc Res Ctr, Vaccine & Infect Dis Div, Seattle, WA 98104 USA. [Simons, Brenna C.; McMahon, Brian J.] Alaska Native Tribal Hlth Consortium, Liver Dis & Hepatitis Program, Anchorage, AK USA. RP Smith, RD (reprint author), Div Biol Sci, 902 Battelle Blvd,POB 999,MSIN K8-98, Richland, WA 99352 USA. EM rds@pnnl.gov RI Smith, Richard/J-3664-2012; Burnum, Kristin/B-1308-2011; OI Smith, Richard/0000-0002-2381-2349; Burnum, Kristin/0000-0002-2722-4149; Piehowski, Paul/0000-0001-5108-2227 FU Washington State Life Sciences Discovery Fund; National Institute of Health General Medical Sciences Proteomic Center at PNNL [2 P41 GM 103493-11]; National Institute of General Medical Sciences [8 P41 GM103493-10]; National Cancer Institute [R21-CA12619-01, U24-CA-160019-01, Y01-CN-05013-29]; National Institute of Environmental Health Sciences of the National Institutes of Health [R01ES022190]; Entertainment Industry Foundation and its Women's Cancer Research Fund; Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory; Department of Energy Office of Biological and Environmental Research Genome Sciences Program; DOE [DE-AC05-76RLO01830] FX A significant portion of this work was supported by the Washington State Life Sciences Discovery Fund. The development of the IMS-MS platform was provided through the National Institute of Health General Medical Sciences Proteomic Center at PNNL (2 P41 GM 103493-11) and other portions were supported by grants from the National Institute of General Medical Sciences (8 P41 GM103493-10), National Cancer Institute (R21-CA12619-01, U24-CA-160019-01, and Interagency Agreement Y01-CN-05013-29), National Institute of Environmental Health Sciences of the National Institutes of Health (R01ES022190), the Entertainment Industry Foundation and its Women's Cancer Research Fund, the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory and by the Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics project. The research was performed in the Environmental Molecular Science Laboratory, a U.S. Department of Energy (DOE) national scientific user facility at Pacific Northwest National Laboratory (PNNL) in Richland, WA. Battelle operates PNNL for the DOE under contract DE-AC05-76RLO01830. NR 33 TC 20 Z9 20 U1 0 U2 21 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 EI 1535-9484 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD APR PY 2014 VL 13 IS 4 BP 1119 EP 1127 DI 10.1074/mcp.M113.034595 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AE4BC UT WOS:000333921700015 PM 24403597 ER PT J AU Lu, J AF Lu, Jian TI CLIMATE SCIENCE Tropical expansion by ocean swing SO NATURE GEOSCIENCE LA English DT News Item ID OZONE C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lu, J (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K9-24, Richland, WA 99352 USA. EM Jian.Lu@pnnl.gov NR 7 TC 0 Z9 0 U1 1 U2 4 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD APR PY 2014 VL 7 IS 4 BP 250 EP 251 DI 10.1038/ngeo2124 PG 2 WC Geosciences, Multidisciplinary SC Geology GA AE2PP UT WOS:000333815700004 ER PT J AU Vinoj, V Rasch, PJ Wang, HL Yoon, JH Ma, PL Landu, K Singh, B AF Vinoj, V. Rasch, Philip J. Wang, Hailong Yoon, Jin-Ho Ma, Po-Lun Landu, Kiranmayi Singh, Balwinder TI Short-term modulation of Indian summer monsoon rainfall by West Asian dust SO NATURE GEOSCIENCE LA English DT Article ID BLACK CARBON AEROSOLS; SEA-SALT; CLIMATE; MODEL; CAM5 AB The Indian summer monsoon is influenced by numerous factors, including aerosol-induced changes to clouds, surface and atmospheric heating, and atmospheric circulation. Most previous studies assessing the effect of aerosols on monsoon rainfall have focussed on the local impact of aerosols on precipitation on monthly to seasonal timescales. Here, we show that desert dust aerosol levels over the Arabian Sea, West Asia and the Arabian Peninsula are positively correlated with the intensity of the Indian summer monsoon, using satellite data and models; a leadlag analysis indicates that dust and precipitation vary in concert over timescales of about a week. Our analysis of global climate model simulations indicates that by heating the atmosphere, dust aerosols induce large-scale convergence over North Africa and the Arabian Peninsula, increasing the flow of moisture over India within a week. According to these simulations, dust-induced heating of the atmosphere over North Africa and West Asia rapidly modulates monsoon rainfall over central India. C1 [Vinoj, V.; Rasch, Philip J.; Wang, Hailong; Yoon, Jin-Ho; Ma, Po-Lun; Landu, Kiranmayi; Singh, Balwinder] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Vinoj, V.; Landu, Kiranmayi] Indian Inst Technol Bhubaneswar, Sch Earth Ocean & Climate Sci, Bhubaneswar 751007, Odisha, India. RP Rasch, PJ (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM philip.rasch@pnnl.gov RI YOON, JIN-HO/A-1672-2009; Vinoj, V./C-3241-2008; Wang, Hailong/B-8061-2010; Ma, Po-Lun/G-7129-2015 OI YOON, JIN-HO/0000-0002-4939-8078; Vinoj, V./0000-0001-8573-6073; Wang, Hailong/0000-0002-1994-4402; Ma, Po-Lun/0000-0003-3109-5316 FU Pacific Northwest National laboratory (PNNL); US Department of Energy (DOE) Office of Science (BER) Earth System Modeling Program; Office of Science of the DOE [DE-ACO2-05CH11231]; [DE-A005-76RLO 1830] FX This work was supported by the Pacific Northwest National laboratory (PNNL) Program for Laboratory Directed Research and the US Department of Energy (DOE) Office of Science (BER) Earth System Modeling Program. PNNL, is operated for the DOE by Battelle Memorial Institute under contract DE-A005-76RLO 1830. The MODIS, MISR and GPCP mission scientists and associated National Aeronautics and Space Administration personnel are acknowledged for the production of the data used in this research effort. Computational resources for the analysis and simulations were provided through internal lab resources and an award through the DOE National Energy Research Scientific Computing Center, is is supported by the Office of Science of the DOE under contract no. DE-ACO2-05CH11231. NR 29 TC 49 Z9 49 U1 0 U2 21 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD APR PY 2014 VL 7 IS 4 BP 308 EP 313 DI 10.1038/ngeo2107 PG 6 WC Geosciences, Multidisciplinary SC Geology GA AE2PP UT WOS:000333815700020 ER PT J AU Wang, SB Du, PW Zhou, N AF Wang, Shaobu Du, Pengwei Zhou, Ning TI Power system transient stability analysis through a homotopy analysis method SO NONLINEAR DYNAMICS LA English DT Article DE Power system; Transient stability; Bifurcation analysis; Homotopy analysis ID SIMULATIONS; ALGORITHMS AB As an important function of energy management systems, online contingency analysis plays an important role in providing power system security warnings of instability. At present, N-1 contingency analysis still relies on time-consuming numerical integration to assess transient stability. To reduce computational cost, this paper proposes a transient stability analysis method based on homotopy analysis. The proposed method analyzes power system transient stability by computing bifurcation points of nonlinear differential equations. These bifurcation points constitute transient stability region boundaries. The method judges if the post-fault system can survive a disturbance by analyzing whether the initial values following fault clearance locate within the boundaries. The proposed method provides an alternative approach to assessing power system transient stability instead of traditional numerical integration. A simple case is presented to demonstrate application of the proposed method; the analysis results of the proposed method are consistent with the results of numerical integration. C1 [Wang, Shaobu; Du, Pengwei; Zhou, Ning] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, SB (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM shaobu.wang@pnnl.gov; pengwei.du@ercot.com; ningzhou@binghamton.edu FU Future Power Grid Initiative through Laboratory Directed Research and Development Project; U.S. Department of Energy by Battelle [DE-AC05-76RL01830] FX The authors are grateful to the support from the Future Power Grid Initiative to this work through Laboratory Directed Research and Development Project "A multilayer data-driven reasoning tool for smart grid integrated information systems." The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. Also, the authors gratefully acknowledge the contribution of Dr. Yinlong Zhao and Dr. Wenrui Hao for their help in Homotopy Analysis. NR 24 TC 2 Z9 2 U1 0 U2 15 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0924-090X EI 1573-269X J9 NONLINEAR DYNAM JI Nonlinear Dyn. PD APR PY 2014 VL 76 IS 2 BP 1079 EP 1086 DI 10.1007/s11071-013-1191-2 PG 8 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA AF0SU UT WOS:000334425200015 ER PT J AU Cil, MB Alshibli, K Kenesei, P Lienert, U AF Cil, Mehmet B. Alshibli, Khalid Kenesei, Peter Lienert, Ulrich TI Combined high-energy synchrotron X-ray diffraction and computed tomography to characterize constitutive behavior of silica sand SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 1st International Conference on Tomography of Materials and Structures CY JUL 01-05, 2013 CL Ghent, BELGIUM DE Granular materials; Lattice strain; Stress; 3D X-ray diffraction ID INDIVIDUAL BULK GRAINS; PLASTICITY MODEL; STRAIN TENSOR; MICROTOMOGRAPHY AB The deformation behavior of silica sand particles under one-dimensional (1D) loading compression was investigated using nondestructive 3D synchrotron micro-computed tomography (SMT) and three dimensional X-ray diffraction (3DXRD). High-resolution SMT images were used to monitor particle-to-particle interactions, and the onset and propagation of fracture mechanism in a column composed of three silica sand particles. Particle-averaged lattice strain tensors within individual sand particles were measured using the 3DXRD technique and were then used to calculate the stress tensor components via the general elastic stress-strain relationship. The normal stress component in the axial direction (sigma(zz)) exhibited a nearly linear increasing trend in all sand particles. Shear stress components were in general small relative to the normal stress components and displayed no systematic trend. Knowing lattice strains, stresses, and particle kinematic behavior, one can formulate and develop a micromechanics-based constitutive model to fully characterize strength properties and deformation characteristics of granular materials. (C) 2013 Elsevier B.V. All rights reserved. C1 [Cil, Mehmet B.; Alshibli, Khalid] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Kenesei, Peter] Argonne Natl Lab, Argonne, IL 60439 USA. [Lienert, Ulrich] DESY Photon Sci, Deutsch Elekt Synchrotron, Hamburg, Germany. RP Alshibli, K (reprint author), Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. EM mcil@utk.edu; Alshibli@utk.edu; kenesei@aps.anl.gov; ulrich.lienert@desy.de FU National Science Foundation (NSF) [CMMI-1156436]; GeoSoilEnviroCARS; National Science Foundation-Earth Sciences [EAR-1128799]; Department of Energy (DOE), Geosciences [DE-FG02-94ER14466]; DOE [DE-AC02-06CH11357] FX This material is based on work supported by the National Science Foundation (NSF) under Grant No. CMMI-1156436. The 3DXRD data were collected using the Beamline 1-ID and SMT scans were collected using Beamline 13 at the Advanced Photon Source (APS), Argonne National Laboratory (ANL), USA. We thank Dr. Mark Rivers of APS for help in performing the SMT scans. We also acknowledge the support of GeoSoilEnviroCARS (Sector 13), which is supported by the National Science Foundation-Earth Sciences (EAR-1128799), and the Department of Energy (DOE), Geosciences (DE-FG02-94ER14466). Use of the APS, an Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory, was supported by DOE under Contract No. DE-AC02-06CH11357. NR 26 TC 1 Z9 1 U1 0 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD APR 1 PY 2014 VL 324 BP 11 EP 16 DI 10.1016/j.nimb.2013.08.043 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AE2GP UT WOS:000333791600003 ER PT J AU Kawashima, N Qu, HH Lobaton, M Zhu, ZY Sollogoub, M Cavenee, WK Handa, K Hakomori, SI Zhang, YM AF Kawashima, Nagako Qu, Huanhuan Lobaton, Marlin Zhu, Zhenyuan Sollogoub, Matthieu Cavenee, Webster K. Handa, Kazuko Hakomori, Sen-Itiroh Zhang, Yongmin TI Efficient synthesis of chloro-derivatives of sialosyllactosylceramide, and their enhanced inhibitory effect on epidermal growth factor receptor activation SO ONCOLOGY LETTERS LA English DT Article DE EGFR inhibitors; cell proliferation; EGFR activation; GM3; glycosphingolipids; chloro-derivatives of GM3 ID GANGLIOSIDE-MEDIATED MODULATION; TYROSINE PHOSPHORYLATION; CELL-GROWTH; HUMAN GLIOBLASTOMAS; CANCER-CELLS; GM3; GLYCOSYLATION; CONVERSION; BINDING; KINASE AB Glycosphingolipids are components of essentially all mammalian cell membranes and are involved in a variety of significant cellular functions, including proliferation, adhesion, motility and differentiation. Sialosyllactosylceramide (GM3) is known to inhibit the activation of epidermal growth factor receptor (EGFR). In the present study, an efficient method for the total chemical synthesis of monochloro- and dichloro-derivatives of the sialosyl residue of GM3 was developed. The structures of the synthesized compounds were fully characterized by high-resolution mass spectrometry and nuclear magnetic resonance. In analyses of EGFR autophosphorylation and cell proliferation ([H-3]-thymidine incorporation) in human epidermoid carcinoma A431 cells, two chloro-derivatives exhibited stronger inhibitory effects than GM3 on EGFR activity. Monochloro-GM3, but not GM3 or dichloro-GM3, showed a significant inhibitory effect on Delta EGFR, a splicing variant of EGFR that lacks exons 2-7 and is often found in human glioblastomas. The chemical synthesis of other GM3 derivatives using approaches similar to those described in the present study, has the potential to create more potent EGFR inhibitors to block cell growth or motility of a variety of types of cancer that express either wild-type EGFR or Delta EGFR. C1 [Kawashima, Nagako; Lobaton, Marlin; Handa, Kazuko; Hakomori, Sen-Itiroh] Pacific Northwest Res Inst, Div Biomembrane Res, Seattle, WA 98122 USA. [Qu, Huanhuan; Zhu, Zhenyuan; Sollogoub, Matthieu; Zhang, Yongmin] Univ Paris 06, Inst Paris Mol Chem, F-75005 Paris, France. [Qu, Huanhuan] Chinese Acad Sci, Shanghai Inst Mat Med, Glycochem & Glycobiol Lab, Shanghai 201203, Peoples R China. [Cavenee, Webster K.] Univ Calif San Diego, Ludwig Inst Canc Res, La Jolla, CA 92093 USA. [Hakomori, Sen-Itiroh] Univ Washington, Dept Pathobiol, Seattle, WA 98195 USA. [Hakomori, Sen-Itiroh] Univ Washington, Dept Global Hlth, Seattle, WA 98195 USA. [Zhang, Yongmin] Jianghan Univ, Inst Interdisciplinary Res, Wuhan Econ & Technol Dev Zone, Wuhan 430056, Hubei, Peoples R China. RP Hakomori, SI (reprint author), Pacific Northwest Res Inst, Div Biomembrane Res, 720 Broadway, Seattle, WA 98122 USA. EM hakomori@u.washington.edu; yongmin.zhang@upmc.fr RI QU, Huanhuan/I-4450-2015; OI Sollogoub, Matthieu/0000-0003-0500-5946 FU Universite Pierre et Marie Curie-Paris 6 for the program of LIA; Biomembrane Institute; China Scholarship Council; [P01-CA95616] FX The present study was funded by the Universite Pierre et Marie Curie-Paris 6 for the program of LIA, The Biomembrane Institute and P01-CA95616. Support was also accorded by a PhD fellowship from the China Scholarship Council. The authors are grateful to Dr S. Anderson for editing the English of the manuscript. NR 26 TC 1 Z9 1 U1 1 U2 6 PU SPANDIDOS PUBL LTD PI ATHENS PA POB 18179, ATHENS, 116 10, GREECE SN 1792-1074 EI 1792-1082 J9 ONCOL LETT JI Oncol. Lett. PD APR PY 2014 VL 7 IS 4 BP 933 EP 940 DI 10.3892/ol.2014.1887 PG 8 WC Oncology SC Oncology GA AE9FT UT WOS:000334311900003 PM 24944646 ER PT J AU Furnstahl, RJ More, SN Papenbrock, T AF Furnstahl, R. J. More, S. N. Papenbrock, T. TI Systematic expansion for infrared oscillator basis extrapolations SO PHYSICAL REVIEW C LA English DT Article ID EFFECTIVE-FIELD-THEORY; CORE SHELL-MODEL; CONVERGENCE AB Recent work has demonstrated that the infrared effects of harmonic oscillator basis truncations are well approximated by a partial-wave Dirichlet boundary condition at a properly identified radius L. This led to formulas for extrapolating the corresponding energy E-L and other observables to infinite L and thus infinite basis size. Here we reconsider the energy for a two-body system with a Dirichlet boundary condition at L to identify and test a consistent and systematic expansion for E-L that depends only on observables. We also generalize the energy extrapolation formula to nonzero angular momentum, and apply it to the deuteron. Formulas given previously for extrapolating the radius are derived in detail. C1 [Furnstahl, R. J.; More, S. N.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Papenbrock, T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Papenbrock, T.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Furnstahl, RJ (reprint author), Ohio State Univ, Dept Phys, 174 W 18th Ave, Columbus, OH 43210 USA. EM furnstahl.1@osu.edu; more.13@osu.edu; tpapenbr@utk.edu OI Furnstahl, Richard/0000-0002-3483-333X; Papenbrock, Thomas/0000-0001-8733-2849 FU National Science Foundation [PHY-1002478]; Department of Energy [DE-FG02-96ER40963, DE-AC05-00OR22725, DE-SC0008499/DE-SC0008533] FX We thank B. Dainton, H. Hergert, S. Konig, and R. Perry for useful discussions. This work was supported in part by the National Science Foundation under Grant No. PHY-1002478 and the Department of Energy under Grants No. DE-FG02-96ER40963 (University of Tennessee), No. DE-AC05-00OR22725 (Oak Ridge National Laboratory), and No. DE-SC0008499/DE-SC0008533 (SciDAC-3 NUCLEI project). NR 35 TC 22 Z9 22 U1 0 U2 2 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 APR 1 PY 2014 VL 89 IS 4 AR 044301 DI 10.1103/PhysRevC.89.044301 PG 12 WC Physics, Nuclear SC Physics GA AE9AG UT WOS:000334295100001 ER PT J AU Aaltonen, T Abazov, VM Abbott, B Acharya, BS Adams, M Adams, T Agnew, JP Alexeev, GD Alkhazov, G Alton, A Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Apollinari, G Appel, JA Arisawa, T Artikov, A Asaadi, J Ashmanskas, W Askew, A Atkins, S Auerbach, B Augsten, K Aurisano, A Avila, C Azfar, F Badaud, F Badgett, W Bae, T Bagby, L Baldin, B Bandurin, DV Banerjee, S Barbaro-Galtieri, A Barberis, E Baringer, P Barnes, VE Barnett, BA Barria, P Bartlett, JF Bartos, P Bassler, U Bauce, M Bazterra, V Bean, A Bedeschi, F Begalli, M Behari, S Bellantoni, L Bellettini, G Bellinger, J Benjamin, D Beretvas, A Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bhat, PC Bhatia, S Bhatnagar, V Bhatti, A Bland, KR Blazey, G Blessing, S Bloom, K Blumenfeld, B Bocci, A Bodek, A Boehnlein, A Boline, D Boos, EE Borissov, G Bortoletto, D Boudreau, J Boveia, A Brandt, A Brandt, O Brigliadori, L Brock, R Bromberg, C Bross, A Brown, D Brucken, E Bu, XB Budagov, J Budd, HS Buehler, M Buescher, V Bunichev, V Burdin, S Burkett, K Busetto, G Bussey, P Buszello, CP Butti, P Buzatu, A Calamba, A Camacho-Perez, E Camarda, S Campanelli, M Canelli, F Carls, B Carlsmith, D Carosi, R Carrillo, S Casal, B Casarsa, M Casey, BCK Castilla-Valdez, H Castro, A Catastini, P Caughron, S Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chakrabarti, S Chan, KM Chandra, A Chapon, E Chen, G Chen, YC Chertok, M Chiarelli, G Chlachidze, G Cho, K Cho, SW Choi, S Chokheli, D Choudhary, B Cihangir, S Claes, D Clark, A Clarke, C Clutter, J Convery, ME Conway, J Cooke, M Cooper, WE Corbo, M Corcoran, M Cordelli, M Couderc, F Cousinou, MC Cox, CA Cox, DJ Cremonesi, M Cruz, D Cuevas, J Culbertson, R Cutts, D Das, A d'Ascenzo, N Datta, M Davies, G de Barbaro, P de Jong, SJ De La Cruz-Burelo, E Deliot, F Demina, R Demortier, L Deninno, M Denisov, D Denisov, SP D'Errico, M Desai, S Deterre, C DeVaughan, K Devoto, F Di Canto, A Di Ruzza, B Diehl, HT Diesburg, M Ding, PF Dittmann, JR Dominguez, A Donati, S D'Onofrio, M Dorigo, M Driutti, A Dubey, A Dudko, LV Duperrin, A Dutt, S Eads, M Ebina, K Edgar, R Edmunds, D Elagin, A Ellison, J Elvira, VD Enari, Y Erbacher, R Errede, S Esham, B Evans, H Evdokimov, VN Farrington, S Feng, L Ferbel, T Ramos, JPF Fiedler, F Field, R Filthaut, F Fisher, W Fisk, HE Flanagan, G Forrest, R Fortner, M Fox, H Franklin, M Freeman, JC Frisch, H Fuess, S Funakoshi, Y Galloni, C Garbincius, PH Garcia-Bellido, A Garcia-Gonzalez, JA Garfinkel, AF Garosi, P Gavrilov, V Geng, W Gerber, CE Gerberich, H Gerchtein, E Gershtein, Y Giagu, S Giakoumopoulou, V Gibson, K Ginsburg, CM Ginther, G Giokaris, N Giromini, P Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldin, D Golossanov, A Golovanov, G Gomez, G Gomez-Ceballos, G Goncharov, M Lopez, OG Gorelov, I Goshaw, AT Goulianos, K Gramellini, E Grannis, PD Greder, S Greenlee, H Grenier, G Grinstein, S Gris, P Grivaz, JF Grohsjean, A Grosso-Pilcher, C Group, RC Grunendahl, S Grunewald, MW Guillemin, T da Costa, JG Gutierrez, G Gutierrez, P Hahn, SR Haley, J Han, JY Han, L Happacher, F Hara, K Harder, K Hare, M Harel, A Harr, RF Harrington-Taber, T Hatakeyama, K Hauptman, JM Hays, C Hays, J Head, T Hebbeker, T Hedin, D Hegab, H Heinrich, J Heinson, AP Heintz, U Hensel, C Heredia-De la Cruz, I Herndon, M Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoang, T Hobbs, JD Hocker, A Hoeneisen, B Hogan, J Hohlfeld, M Holzbauer, JL Hong, Z Hopkins, W Hou, S Howley, I Hubacek, Z Hughes, RE Husemann, U Hussein, M Huston, J Hynek, V Iashvili, I Ilchenko, Y Illingworth, R Introzzi, G Iori, M Ito, AS Ivanov, A Jabeen, S Jaffre, M James, E Jang, D Jayasinghe, A Jayatilaka, B Jeon, EJ Jeong, MS Jesik, R Jiang, P Jindariani, S Johns, K Johnson, E Johnson, M Jonckheere, A Jones, M Jonsson, P Joo, KK Joshi, J Jun, SY Jung, AW Junk, TR Juste, A Kajfasz, E Kambeitz, M Kamon, T Karchin, PE Karmanov, D Kasmi, A Kato, Y Katsanos, I Kehoe, R Kermiche, S Ketchum, W Keung, J Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YN Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SH Kim, SB Kim, YJ Kim, YK Kimura, N Kirby, M Kiselevich, I Knoepfel, K Kohli, JM Kondo, K Kong, DJ Konigsberg, J Kotwal, AV Kozelov, AV Kraus, J Kreps, M Kroll, J Kruse, M Kuhr, T Kumar, A Kupco, A Kurata, M Kurca, T Kuzmin, VA Laasanen, AT Lammel, S Lammers, S Lancaster, M Lannon, K Latino, G Lebrun, P Lee, HS Lee, HS Lee, JS Lee, SW Lee, WM Lei, X Lellouch, J Leo, S Leone, S Lewis, JD Li, D Li, H Li, L Li, QZ Lim, JK Limosani, A Lincoln, D Linnemann, J Lipaev, VV Lipeles, E Lipton, R Lister, A Liu, H Liu, H Liu, Q Liu, T Liu, Y Lobodenko, A Lockwitz, S Loginov, A Lokajicek, M de Sa, RL Lucchesi, D Luca, A Lueck, J Lujan, P Lukens, P Luna-Garcia, R Lungu, G Lyon, AL Lys, J Lysak, R Maciel, AKA Madar, R Madrak, R Maestro, P Magana-Villalba, R Malik, S Malik, S Malyshev, VL Manca, G Manousakis-Katsikakis, A Mansour, J Marchese, L Margaroli, F Marino, P Martinez-Ortega, J Martinez, M Matera, K Mattson, ME Mazzacane, A Mazzanti, P McCarthy, R McGivern, CL McNulty, R Mehta, A Mehtala, P Meijer, MM Melnitchouk, A Menezes, D Mercadante, PG Merkin, M Mesropian, C Meyer, A Meyer, J Miao, T Miconi, F Mietlicki, D Mitra, A Miyake, H Moed, S Moggi, N Mondal, NK Moon, CS Moore, R Morello, MJ Mukherjee, A Mulhearn, M Muller, T Murat, P Mussini, M Nachtman, J Nagai, Y Naganoma, J Nagy, E Nakano, I Napier, A Narain, M Nayyar, R Neal, HA Negret, JP Nett, J Neu, C Neustroev, P Nguyen, HT Nigmanov, T Nodulman, L Noh, SY Norniella, O Nunnemann, T Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Orduna, J Ortolan, L Osman, N Osta, J Pagliarone, C Pal, A Palencia, E Palni, P Papadimitriou, V Parashar, N Parihar, V Park, SK Parker, W Partridge, R Parua, N Patwa, A Pauletta, G Paulini, M Paus, C Penning, B Perfilov, M Peters, Y Petridis, K Petrillo, G Petroff, P Phillips, TJ Piacentino, G Pianori, E Pilot, J Pitts, K Plager, C Pleier, MA Podstavkov, VM Pondrom, L Popov, AV Poprocki, S Potamianos, K Pranko, A Prewitt, M Price, D Prokopenko, N Prokoshin, F Ptohos, F Punzi, G Qian, J Quadt, A Quinn, B Ranjan, N Ratoff, PN Razumov, I Fernandez, IR Renton, P Rescigno, M Rimondi, F Ripp-Baudot, I Ristori, L Rizatdinova, F Robson, A Rodriguez, T Rolli, S Rominsky, M Ronzani, M Roser, R Rosner, JL Ross, A Royon, C Rubinov, P Ruchti, R Ruffini, F Ruiz, A Russ, J Rusu, V Sajot, G Sakumoto, WK Sakurai, Y Sanchez-Hernandez, A Sanders, MP Santi, L Santos, AS Sato, K Savage, G Saveliev, V Savoy-Navarro, A Sawyer, L Scanlon, T Schamberger, RD Scheglov, Y Schellman, H Schlabach, P Schmidt, EE Schwanenberger, C Schwarz, T Schwienhorst, R Scodellaro, L Scuri, F Seidel, S Seiya, Y Sekaric, J Semenov, A Severini, H Sforza, F Shabalina, E Shalhout, SZ Shary, V Shaw, S Shchukin, AA Shears, T Shepard, PF Shimojima, M Shochet, M Shreyber-Tecker, I Simak, V Simonenko, A Skubic, P Slattery, P Sliwa, K Smirnov, D Smith, JR Snider, FD Snow, GR Snow, J Snyder, S Soldner-Rembold, S Song, H Sonnenschein, L Sorin, V Soustruznik, K St Denis, R Stancari, M Stark, J Stentz, D Stoyanova, DA Strauss, M Strologas, J Sudo, Y Sukhanov, A Suslov, I Suter, L Svoisky, P Takemasa, K Takeuchi, Y Tang, J Tecchio, M Teng, PK Thom, J Thomson, E Thukral, V Titov, M Toback, D Tokar, S Tokmenin, VV Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Totaro, P Trovato, M Tsai, YT Tsybychev, D Tuchming, B Tully, C Ukegawa, F Uozumi, S Uvarov, L Uvarov, S Uzunyan, S Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vazquez, F Velev, G Vellidis, C Verkheev, AY Vernieri, C Vertogradov, LS Verzocchi, M Vesterinen, M Vidal, M Vilanova, D Vilar, R Vizan, J Vogel, M Vokac, P Volpi, G Wagner, P Wahl, HD Wallny, R Wang, MHLS Wang, SM Warchol, J Waters, D Watts, G Wayne, M Weichert, J Welty-Rieger, L Wester, WC Whiteson, D Wicklund, AB Wilbur, S Williams, HH Williams, MRJ Wilson, GW Wilson, JS Wilson, P Winer, BL Wittich, P Wobisch, M Wolbers, S Wolfe, H Wood, DR Wright, T Wu, X Wu, Z Wyatt, TR Xie, Y Yamada, R Yamamoto, K Yamato, D Yang, S Yang, T Yang, UK Yang, YC Yao, WM Yasuda, T Yatsunenko, YA Ye, W Ye, Z Yeh, GP Yi, K Yin, H Yip, K Yoh, J Yorita, K Yoshida, T Youn, SW Yu, GB Yu, I Yu, JM Zanetti, AM Zeng, Y Zennamo, J Zhao, TG Zhou, B Zhou, C Zhu, J Zielinski, M Zieminska, D Zivkovic, L Zucchelli, S AF Aaltonen, T. Abazov, V. M. Abbott, B. Acharya, B. S. Adams, M. Adams, T. Agnew, J. P. Alexeev, G. D. Alkhazov, G. Alton, A. Amerio, S. Amidei, D. Anastassov, A. Annovi, A. Antos, J. Apollinari, G. Appel, J. A. Arisawa, T. Artikov, A. Asaadi, J. Ashmanskas, W. Askew, A. Atkins, S. Auerbach, B. Augsten, K. Aurisano, A. Avila, C. Azfar, F. Badaud, F. Badgett, W. Bae, T. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barbaro-Galtieri, A. Barberis, E. Baringer, P. Barnes, V. E. Barnett, B. A. Barria, P. Bartlett, J. F. Bartos, P. Bassler, U. Bauce, M. Bazterra, V. Bean, A. Bedeschi, F. Begalli, M. Behari, S. Bellantoni, L. Bellettini, G. Bellinger, J. Benjamin, D. Beretvas, A. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bhat, P. C. Bhatia, S. Bhatnagar, V. Bhatti, A. Bland, K. R. Blazey, G. Blessing, S. Bloom, K. Blumenfeld, B. Bocci, A. Bodek, A. Boehnlein, A. Boline, D. Boos, E. E. Borissov, G. Bortoletto, D. Boudreau, J. Boveia, A. Brandt, A. Brandt, O. Brigliadori, L. Brock, R. Bromberg, C. Bross, A. Brown, D. Brucken, E. Bu, X. B. Budagov, J. Budd, H. S. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Burkett, K. Busetto, G. Bussey, P. Buszello, C. P. Butti, P. Buzatu, A. Calamba, A. Camacho-Perez, E. Camarda, S. Campanelli, M. Canelli, F. Carls, B. Carlsmith, D. Carosi, R. Carrillo, S. Casal, B. Casarsa, M. Casey, B. C. K. Castilla-Valdez, H. Castro, A. Catastini, P. Caughron, S. Cauz, D. Cavaliere, V. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chakrabarti, S. Chan, K. M. Chandra, A. Chapon, E. Chen, G. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Cho, K. Cho, S. W. Choi, S. Chokheli, D. Choudhary, B. Cihangir, S. Claes, D. Clark, A. Clarke, C. Clutter, J. Convery, M. E. Conway, J. Cooke, M. Cooper, W. E. Corbo, M. Corcoran, M. Cordelli, M. Couderc, F. Cousinou, M. -C. Cox, C. A. Cox, D. J. Cremonesi, M. Cruz, D. Cuevas, J. Culbertson, R. Cutts, D. Das, A. d'Ascenzo, N. Datta, M. Davies, G. de Barbaro, P. de Jong, S. J. De La Cruz-Burelo, E. Deliot, F. Demina, R. Demortier, L. Deninno, M. Denisov, D. Denisov, S. P. D'Errico, M. Desai, S. Deterre, C. DeVaughan, K. Devoto, F. Di Canto, A. Di Ruzza, B. Diehl, H. T. Diesburg, M. Ding, P. F. Dittmann, J. R. Dominguez, A. Donati, S. D'Onofrio, M. Dorigo, M. Driutti, A. Dubey, A. Dudko, L. V. Duperrin, A. Dutt, S. Eads, M. Ebina, K. Edgar, R. Edmunds, D. Elagin, A. Ellison, J. Elvira, V. D. Enari, Y. Erbacher, R. Errede, S. Esham, B. Evans, H. Evdokimov, V. N. Farrington, S. Feng, L. Ferbel, T. Fernandez Ramos, J. P. Fiedler, F. Field, R. Filthaut, F. Fisher, W. Fisk, H. E. Flanagan, G. Forrest, R. Fortner, M. Fox, H. Franklin, M. Freeman, J. C. Frisch, H. Fuess, S. Funakoshi, Y. Galloni, C. Garbincius, P. H. Garcia-Bellido, A. Garcia-Gonzalez, J. A. Garfinkel, A. F. Garosi, P. Gavrilov, V. Geng, W. Gerber, C. E. Gerberich, H. Gerchtein, E. Gershtein, Y. Giagu, S. Giakoumopoulou, V. Gibson, K. Ginsburg, C. M. Ginther, G. Giokaris, N. Giromini, P. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldin, D. Golossanov, A. Golovanov, G. Gomez, G. Gomez-Ceballos, G. Goncharov, M. Gonzalez Lopez, O. Gorelov, I. Goshaw, A. T. Goulianos, K. Gramellini, E. Grannis, P. D. Greder, S. Greenlee, H. Grenier, G. Grinstein, S. Gris, Ph. Grivaz, J. -F. Grohsjean, A. Grosso-Pilcher, C. Group, R. C. Gruenendahl, S. Gruenewald, M. W. Guillemin, T. da Costa, J. Guimaraes Gutierrez, G. Gutierrez, P. Hahn, S. R. Haley, J. Han, J. Y. Han, L. Happacher, F. Hara, K. Harder, K. Hare, M. Harel, A. Harr, R. F. Harrington-Taber, T. Hatakeyama, K. Hauptman, J. M. Hays, C. Hays, J. Head, T. Hebbeker, T. Hedin, D. Hegab, H. Heinrich, J. Heinson, A. P. Heintz, U. Hensel, C. Heredia-De la Cruz, I. Herndon, M. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hoang, T. Hobbs, J. D. Hocker, A. Hoeneisen, B. Hogan, J. Hohlfeld, M. Holzbauer, J. L. Hong, Z. Hopkins, W. Hou, S. Howley, I. Hubacek, Z. Hughes, R. E. Husemann, U. Hussein, M. Huston, J. Hynek, V. Iashvili, I. Ilchenko, Y. Illingworth, R. Introzzi, G. Iori, M. Ito, A. S. Ivanov, A. Jabeen, S. Jaffre, M. James, E. Jang, D. Jayasinghe, A. Jayatilaka, B. Jeon, E. J. Jeong, M. S. Jesik, R. Jiang, P. Jindariani, S. Johns, K. Johnson, E. Johnson, M. Jonckheere, A. Jones, M. Jonsson, P. Joo, K. K. Joshi, J. Jun, S. Y. Jung, A. W. Junk, T. R. Juste, A. Kajfasz, E. Kambeitz, M. Kamon, T. Karchin, P. E. Karmanov, D. Kasmi, A. Kato, Y. Katsanos, I. Kehoe, R. Kermiche, S. Ketchum, W. Keung, J. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. N. Kilminster, B. Kim, D. H. Kim, H. S. Kim, J. E. Kim, M. J. Kim, S. H. Kim, S. B. Kim, Y. J. Kim, Y. K. Kimura, N. Kirby, M. Kiselevich, I. Knoepfel, K. Kohli, J. M. Kondo, K. Kong, D. J. Konigsberg, J. Kotwal, A. V. Kozelov, A. V. Kraus, J. Kreps, M. Kroll, J. Kruse, M. Kuhr, T. Kumar, A. Kupco, A. Kurata, M. Kurca, T. Kuzmin, V. A. Laasanen, A. T. Lammel, S. Lammers, S. Lancaster, M. Lannon, K. Latino, G. Lebrun, P. Lee, H. S. Lee, H. S. Lee, J. S. Lee, S. W. Lee, W. M. Lei, X. Lellouch, J. Leo, S. Leone, S. Lewis, J. D. Li, D. Li, H. Li, L. Li, Q. Z. Lim, J. K. Limosani, A. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipeles, E. Lipton, R. Lister, A. Liu, H. Liu, H. Liu, Q. Liu, T. Liu, Y. Lobodenko, A. Lockwitz, S. Loginov, A. Lokajicek, M. de Sa, R. Lopes Lucchesi, D. Luca, A. Lueck, J. Lujan, P. Lukens, P. Luna-Garcia, R. Lungu, G. Lyon, A. L. Lys, J. Lysak, R. Maciel, A. K. A. Madar, R. Madrak, R. Maestro, P. Magana-Villalba, R. Malik, S. Malik, S. Malyshev, V. L. Manca, G. Manousakis-Katsikakis, A. Mansour, J. Marchese, L. Margaroli, F. Marino, P. Martinez-Ortega, J. Martinez, M. Matera, K. Mattson, M. E. Mazzacane, A. Mazzanti, P. McCarthy, R. McGivern, C. L. McNulty, R. Mehta, A. Mehtala, P. Meijer, M. M. Melnitchouk, A. Menezes, D. Mercadante, P. G. Merkin, M. Mesropian, C. Meyer, A. Meyer, J. Miao, T. Miconi, F. Mietlicki, D. Mitra, A. Miyake, H. Moed, S. Moggi, N. Mondal, N. K. Moon, C. S. Moore, R. Morello, M. J. Mukherjee, A. Mulhearn, M. Muller, Th. Murat, P. Mussini, M. Nachtman, J. Nagai, Y. Naganoma, J. Nagy, E. Nakano, I. Napier, A. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Nett, J. Neu, C. Neustroev, P. Nguyen, H. T. Nigmanov, T. Nodulman, L. Noh, S. Y. Norniella, O. Nunnemann, T. Oakes, L. Oh, S. H. Oh, Y. D. Oksuzian, I. Okusawa, T. Orava, R. Orduna, J. Ortolan, L. Osman, N. Osta, J. Pagliarone, C. Pal, A. Palencia, E. Palni, P. Papadimitriou, V. Parashar, N. Parihar, V. Park, S. K. Parker, W. Partridge, R. Parua, N. Patwa, A. Pauletta, G. Paulini, M. Paus, C. Penning, B. Perfilov, M. Peters, Y. Petridis, K. Petrillo, G. Petroff, P. Phillips, T. J. Piacentino, G. Pianori, E. Pilot, J. Pitts, K. Plager, C. Pleier, M. -A. Podstavkov, V. M. Pondrom, L. Popov, A. V. Poprocki, S. Potamianos, K. Pranko, A. Prewitt, M. Price, D. Prokopenko, N. Prokoshin, F. Ptohos, F. Punzi, G. Qian, J. Quadt, A. Quinn, B. Ranjan, N. Ratoff, P. N. Razumov, I. Redondo Fernandez, I. Renton, P. Rescigno, M. Rimondi, F. Ripp-Baudot, I. Ristori, L. Rizatdinova, F. Robson, A. Rodriguez, T. Rolli, S. Rominsky, M. Ronzani, M. Roser, R. Rosner, J. L. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Ruffini, F. Ruiz, A. Russ, J. Rusu, V. Sajot, G. Sakumoto, W. K. Sakurai, Y. Sanchez-Hernandez, A. Sanders, M. P. Santi, L. Santos, A. S. Sato, K. Savage, G. Saveliev, V. Savoy-Navarro, A. Sawyer, L. Scanlon, T. Schamberger, R. D. Scheglov, Y. Schellman, H. Schlabach, P. Schmidt, E. E. Schwanenberger, C. Schwarz, T. Schwienhorst, R. Scodellaro, L. Scuri, F. Seidel, S. Seiya, Y. Sekaric, J. Semenov, A. Severini, H. Sforza, F. Shabalina, E. Shalhout, S. Z. Shary, V. Shaw, S. Shchukin, A. A. Shears, T. Shepard, P. F. Shimojima, M. Shochet, M. Shreyber-Tecker, I. Simak, V. Simonenko, A. Skubic, P. Slattery, P. Sliwa, K. Smirnov, D. Smith, J. R. Snider, F. D. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Song, H. Sonnenschein, L. Sorin, V. Soustruznik, K. St Denis, R. Stancari, M. Stark, J. Stentz, D. Stoyanova, D. A. Strauss, M. Strologas, J. Sudo, Y. Sukhanov, A. Suslov, I. Suter, L. Svoisky, P. Takemasa, K. Takeuchi, Y. Tang, J. Tecchio, M. Teng, P. K. Thom, J. Thomson, E. Thukral, V. Titov, M. Toback, D. Tokar, S. Tokmenin, V. V. Tollefson, K. Tomura, T. Tonelli, D. Torre, S. Torretta, D. Totaro, P. Trovato, M. Tsai, Y. -T. Tsybychev, D. Tuchming, B. Tully, C. Ukegawa, F. Uozumi, S. Uvarov, L. Uvarov, S. Uzunyan, S. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Vazquez, F. Velev, G. Vellidis, C. Verkheev, A. Y. Vernieri, C. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vidal, M. Vilanova, D. Vilar, R. Vizan, J. Vogel, M. Vokac, P. Volpi, G. Wagner, P. Wahl, H. D. Wallny, R. Wang, M. H. L. S. Wang, S. M. Warchol, J. Waters, D. Watts, G. Wayne, M. Weichert, J. Welty-Rieger, L. Wester, W. C., III Whiteson, D. Wicklund, A. B. Wilbur, S. Williams, H. H. Williams, M. R. J. Wilson, G. W. Wilson, J. S. Wilson, P. Winer, B. L. Wittich, P. Wobisch, M. Wolbers, S. Wolfe, H. Wood, D. R. Wright, T. Wu, X. Wu, Z. Wyatt, T. R. Xie, Y. Yamada, R. Yamamoto, K. Yamato, D. Yang, S. Yang, T. Yang, U. K. Yang, Y. C. Yao, W. -M. Yasuda, T. Yatsunenko, Y. A. Ye, W. Ye, Z. Yeh, G. P. Yi, K. Yin, H. Yip, K. Yoh, J. Yorita, K. Yoshida, T. Youn, S. W. Yu, G. B. Yu, I. Yu, J. M. Zanetti, A. M. Zeng, Y. Zennamo, J. Zhao, T. G. Zhou, B. Zhou, C. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. Zucchelli, S. CA CDF Collaboration D0 Collaboration TI Combination of measurements of the top-quark pair production cross section from the Tevatron Collider SO PHYSICAL REVIEW D LA English DT Article ID P(P)OVER-BAR COLLISIONS; ROOT-S=1.96 TEV; PARTON DISTRIBUTIONS; HADRON COLLIDERS; LEADING ORDER; T(T)OVER-BAR; DETECTOR; LHC; QCD; FERMILAB AB We combine six measurements of the inclusive top-quark pair (t(sic)) production cross section (sigma(t)(sic)) from data collected with the CDF and D0 detectors at the Fermilab Tevatron with proton-antiproton collisions at root s = 1.96 TeV. The data correspond to integrated luminosities of up to 8.8 fb(-1). We obtain a value of sigma tt = 7.60 +/- 0.41 pb for a top-quark mass of m(t) = 172.5 GeV. The contributions to the uncertainty are 0.20 pb from statistical sources, 0.29 pb from systematic sources, and 0.21 pb from the uncertainty on the integrated luminosity. The result is in good agreement with the standard model expectation of 7.35(-0.33)(+0.28) pb at next-to-next-to-leading order and next-to-next-to leading logarithms in perturbative QCD. C1 [Chen, Y. C.; Hou, S.; Mitra, A.; Teng, P. K.; Wang, S. M.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Auerbach, B.; Nodulman, L.; Wicklund, A. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Giakoumopoulou, V.; Giokaris, N.; Manousakis-Katsikakis, A.] Univ Athens, GR-15771 Athens, Greece. [Camarda, S.; Cavalli-Sforza, M.; Grinstein, S.; Martinez, M.; Ortolan, L.; Sorin, V.] Univ Autonoma Barcelona, ICREA, Inst Fis Altes Energies, E-08193 Bellaterra, Barcelona, Spain. [Bland, K. R.; Dittmann, J. R.; Hatakeyama, K.; Kasmi, A.; Wu, Z.] Baylor Univ, Waco, TX 76798 USA. [Brigliadori, L.; Castro, A.; Deninno, M.; Gramellini, E.; Marchese, L.; Mazzanti, P.; Moggi, N.; Mussini, M.; Rimondi, F.; Zucchelli, S.] Ist Nazl Fis Nucl, I-40127 Bologna, Italy. [Brigliadori, L.; Castro, A.; Mussini, M.; Zucchelli, S.] Univ Bologna, I-40127 Bologna, Italy. [Chertok, M.; Conway, J.; Cox, C. A.; Cox, D. J.; Erbacher, R.; Forrest, R.; Ivanov, A.; Pilot, J.; Shalhout, S. Z.; Smith, J. R.; Wilbur, S.] Univ Calif Davis, Davis, CA 95616 USA. [Plager, C.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Casal, B.; Cuevas, J.; Gomez, G.; Palencia, E.; Ruiz, A.; Scodellaro, L.; Vilar, R.; Vizan, J.] Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. [Calamba, A.; Jang, D.; Jun, S. Y.; Paulini, M.; Russ, J.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Boveia, A.; Canelli, F.; Frisch, H.; Grosso-Pilcher, C.; Ketchum, W.; Kim, Y. K.; Rosner, J. L.; Shochet, M.; Tang, J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Antos, J.; Bartos, P.; Lysak, R.; Tokar, S.] Comenius Univ, Bratislava 84248, Slovakia. [Antos, J.; Bartos, P.; Lysak, R.; Tokar, S.] Inst Expt Phys, Kosice 04001, Slovakia. [Abazov, V. M.; Alexeev, G. D.; Artikov, A.; Budagov, J.; Chokheli, D.; Glagolev, V.; Golovanov, G.; Kharzheev, Y. N.; Malyshev, V. L.; Prokoshin, F.; Semenov, A.; Simonenko, A.; Suslov, I.; Tokmenin, V. V.; Verkheev, A. Y.; Vertogradov, L. S.; Yatsunenko, Y. A.] Joint Inst Nucl Res, RU-141980 Dubna, Russia. [Benjamin, D.; Bocci, A.; Goshaw, A. T.; Kotwal, A. V.; Kruse, M.; Limosani, A.; Oh, S. H.; Phillips, T. J.; Yu, G. B.; Zeng, Y.; Zhou, C.] Duke Univ, Durham, NC 27708 USA. [Anastassov, A.; Apollinari, G.; Appel, J. A.; Ashmanskas, W.; Badgett, W.; Bagby, L.; Baldin, B.; Bartlett, J. F.; Behari, S.; Bellantoni, L.; Beretvas, A.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Bu, X. B.; Buehler, M.; Burkett, K.; Casey, B. C. K.; Chlachidze, G.; Cihangir, S.; Convery, M. E.; Cooke, M.; Cooper, W. E.; Corbo, M.; Culbertson, R.; d'Ascenzo, N.; Datta, M.; Denisov, D.; Desai, S.; Di Ruzza, B.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisk, H. E.; Flanagan, G.; Freeman, J. C.; Fuess, S.; Garbincius, P. H.; Gerchtein, E.; Ginsburg, C. M.; Ginther, G.; Glenzinski, D.; Golossanov, A.; Greenlee, H.; Group, R. C.; Gruenendahl, S.; Gutierrez, G.; Hahn, S. R.; Harrington-Taber, T.; Herner, K.; Hocker, A.; Hopkins, W.; Illingworth, R.; Ito, A. S.; James, E.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Jonckheere, A.; Jung, A. W.; Junk, T. R.; Khalatyan, N.; Kilminster, B.; Kirby, M.; Knoepfel, K.; Lammel, S.; Lee, W. M.; Lewis, J. D.; Li, Q. Z.; Lincoln, D.; Lipton, R.; Liu, T.; Lukens, P.; Lyon, A. L.; Madrak, R.; Mazzacane, A.; Melnitchouk, A.; Miao, T.; Moed, S.; Moon, C. S.; Moore, R.; Mukherjee, A.; Murat, P.; Nachtman, J.; Papadimitriou, V.; Penning, B.; Podstavkov, V. M.; Poprocki, S.; Ristori, L.; Rominsky, M.; Roser, R.; Rubinov, P.; Rusu, V.; Savage, G.; Saveliev, V.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, E. E.; Snider, F. D.; Stancari, M.; Stentz, D.; Sukhanov, A.; Thom, J.; Tonelli, D.; Torretta, D.; Velev, G.; Vellidis, C.; Verzocchi, M.; Wallny, R.; Wang, M. H. L. S.; Wester, W. C., III; Wilson, P.; Wittich, P.; Wolbers, S.; Xie, Y.; Yamada, R.; Yang, T.; Yasuda, T.; Ye, Z.; Yeh, G. P.; Yi, K.; Yin, H.; Yoh, J.; Youn, S. W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Carrillo, S.; Field, R.; Konigsberg, J.; Vazquez, F.] Univ Florida, Gainesville, FL 32611 USA. [Annovi, A.; Cordelli, M.; Giromini, P.; Happacher, F.; Kim, M. J.; Luca, A.; Ptohos, F.; Torre, S.; Volpi, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Clark, A.; Lister, A.; Wu, X.] Univ Geneva, CH-1211 Geneva 4, Switzerland. [Bussey, P.; Buzatu, A.; Robson, A.; St Denis, R.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Catastini, P.; Franklin, M.; da Costa, J. Guimaraes] Harvard Univ, Cambridge, MA 02138 USA. [Aaltonen, T.; Brucken, E.; Devoto, F.; Mehtala, P.; Orava, R.] Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. [Aaltonen, T.; Brucken, E.; Devoto, F.; Mehtala, P.; Orava, R.] Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [Carls, B.; Cavaliere, V.; Errede, S.; Esham, B.; Gerberich, H.; Matera, K.; Norniella, O.; Pitts, K.] Univ Illinois, Urbana, IL 61801 USA. [Barnett, B. A.; Blumenfeld, B.; Giurgiu, G.] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Kambeitz, M.; Kreps, M.; Kuhr, T.; Lueck, J.; Muller, Th.] Karlsruhe Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Seoul Natl Univ, Seoul 151742, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Chonnam Natl Univ, Kwangju 500757, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Chonbuk Natl Univ, Jeonju 561756, South Korea. [Bae, T.; Cho, K.; Jeon, E. J.; Joo, K. K.; Kamon, T.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, S. B.; Kim, Y. J.; Kong, D. J.; Lee, H. S.; Lee, J. S.; Noh, S. Y.; Oh, Y. D.; Uozumi, S.; Yang, U. K.; Yang, Y. C.; Yu, I.] Ewha Womans Univ, Seoul 120750, South Korea. [Barbaro-Galtieri, A.; Cerri, A.; Lujan, P.; Lys, J.; Potamianos, K.; Pranko, A.; Yao, W. -M.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [D'Onofrio, M.; Manca, G.; McNulty, R.; Mehta, A.; Shears, T.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Campanelli, M.; Cerrito, L.; Lancaster, M.; Waters, D.] UCL, London WC1E 6BT, England. [Fernandez Ramos, J. P.; Gonzalez Lopez, O.; Redondo Fernandez, I.] Ctr Invest Energet Medioambientales & Tecnol, E-28040 Madrid, Spain. [Gomez-Ceballos, G.; Goncharov, M.; Paus, C.] MIT, Cambridge, MA 02139 USA. [Alton, A.; Amidei, D.; Edgar, R.; Mietlicki, D.; Neal, H. A.; Qian, J.; Schwarz, T.; Tecchio, M.; Wilson, J. S.; Wright, T.; Yu, J. M.; Zhou, B.; Zhu, J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Brock, R.; Bromberg, C.; Caughron, S.; Edmunds, D.; Fisher, W.; Geng, W.; Hussein, M.; Huston, J.; Johnson, E.; Linnemann, J.; Schwienhorst, R.; Shaw, S.; Tollefson, K.] Michigan State Univ, E Lansing, MI 48824 USA. [Shreyber-Tecker, I.] Inst Theoret & Expt Phys, ITEP, Moscow 117259, Russia. [Gold, M.; Gorelov, I.; Palni, P.; Seidel, S.; Strologas, J.; Vogel, M.] Univ New Mexico, Albuquerque, NM 87131 USA. [Hughes, R. E.; Lannon, K.; Winer, B. L.; Wolfe, H.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Okayama 7008530, Japan. [Kato, Y.; Okusawa, T.; Seiya, Y.; Yamamoto, K.; Yamato, D.; Yoshida, T.] Osaka City Univ, Osaka 5588585, Japan. [Azfar, F.; Farrington, S.; Hays, C.; Oakes, L.; Renton, P.] Univ Oxford, Oxford OX1 3RH, England. [Amerio, S.; Bauce, M.; Busetto, G.; D'Errico, M.; Lucchesi, D.; Totaro, P.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Amerio, S.; Bauce, M.; Busetto, G.; D'Errico, M.; Lucchesi, D.] Univ Padua, I-35131 Padua, Italy. [Heinrich, J.; Keung, J.; Kroll, J.; Lipeles, E.; Pianori, E.; Rodriguez, T.; Thomson, E.; Wagner, P.; Whiteson, D.; Williams, H. H.] Univ Penn, Philadelphia, PA 19104 USA. [Barria, P.; Bedeschi, F.; Bellettini, G.; Butti, P.; Carosi, R.; Chiarelli, G.; Cremonesi, M.; Di Canto, A.; Donati, S.; Galloni, C.; Garosi, P.; Introzzi, G.; Latino, G.; Leo, S.; Leone, S.; Maestro, P.; Marino, P.; Morello, M. J.; Piacentino, G.; Punzi, G.; Ristori, L.; Ronzani, M.; Ruffini, F.; Scuri, F.; Sforza, F.; Trovato, M.; Vernieri, C.] Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Bellettini, G.; Butti, P.; Di Canto, A.; Donati, S.; Galloni, C.; Punzi, G.; Ronzani, M.; Sforza, F.] Univ Pisa, I-56127 Pisa, Italy. [Barria, P.; Garosi, P.; Latino, G.; Maestro, P.; Ruffini, F.] Univ Siena, I-56127 Pisa, Italy. [Marino, P.; Morello, M. J.; Trovato, M.; Vernieri, C.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Introzzi, G.] Ist Nazl Fis Nucl, I-27100 Pavia, Italy. [Introzzi, G.] Univ Pavia, I-27100 Pavia, Italy. [Boudreau, J.; Gibson, K.; Nigmanov, T.; Shepard, P. F.; Song, H.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Barnes, V. E.; Bortoletto, D.; Garfinkel, A. F.; Jones, M.; Laasanen, A. T.; Liu, Q.; Ranjan, N.; Vidal, M.] Purdue Univ, W Lafayette, IN 47907 USA. [Bodek, A.; Budd, H. S.; de Barbaro, P.; Demina, R.; Ferbel, T.; Garcia-Bellido, A.; Ginther, G.; Han, J. Y.; Harel, A.; Petrillo, G.; Sakumoto, W. K.; Slattery, P.; Tsai, Y. -T.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10065 USA. [Giagu, S.; Iori, M.; Margaroli, F.; Rescigno, M.] Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. [Iori, M.] Univ Roma La Sapienza, I-00185 Rome, Italy. [Asaadi, J.; Aurisano, A.; Cruz, D.; Elagin, A.; Goldin, D.; Hong, Z.; Kamon, T.; Nett, J.; Thukral, V.; Toback, D.] Texas A&M Univ, Mitchell Inst Fundamental Phys & Astron, College Stn, TX 77843 USA. [Casarsa, M.; Cauz, D.; Dorigo, M.; Driutti, A.; Pagliarone, C.; Pauletta, G.; Santi, L.; Zanetti, A. M.] Ist Nazl Fis Nucl Trieste, I-33100 Udine, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Grp Collegato Udine, I-33100 Udine, Italy. [Cauz, D.; Driutti, A.; Pauletta, G.; Santi, L.] Univ Udine, I-33100 Udine, Italy. [Dorigo, M.] Univ Trieste, I-34127 Trieste, Italy. [Hara, K.; Kim, S. H.; Kurata, M.; Miyake, H.; Nagai, Y.; Sato, K.; Shimojima, M.; Sudo, Y.; Takemasa, K.; Takeuchi, Y.; Tomura, T.; Ukegawa, F.] Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. [Hare, M.; Napier, A.; Rolli, S.; Sliwa, K.] Tufts Univ, Medford, MA 02155 USA. [Group, R. C.; Liu, H.; Neu, C.; Oksuzian, I.] Univ Virginia, Charlottesville, VA 22906 USA. [Arisawa, T.; Ebina, K.; Funakoshi, Y.; Kimura, N.; Kondo, K.; Naganoma, J.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo 169, Japan. [Clarke, C.; Harr, R. F.; Karchin, P. E.; Mattson, M. E.] Wayne State Univ, Detroit, MI 48201 USA. [Bellinger, J.; Carlsmith, D.; Herndon, M.; Parker, W.; Pondrom, L.] Univ Wisconsin, Madison, WI 53706 USA. [Husemann, U.; Lockwitz, S.; Loginov, A.] Yale Univ, New Haven, CT 06520 USA. [Hensel, C.; Maciel, A. K. A.; Santos, A. S.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Begalli, M.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Mercadante, P. G.] Univ Fed ABC, Santo Andre, Brazil. [Han, L.; Jiang, P.; Liu, Y.; Yang, S.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; 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, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gris, Ph.] Univ Clermont Ferrand, CNRS, IN2P3, LPC, Clermont, France. [Sajot, G.; Stark, J.] Univ Grenoble 1, CNRS, IN2P3, LPSC,Inst Natl Polytech Grenoble, 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, F-91405 Orsay, France. [Bernardi, G.; Brown, D.; Enari, Y.; Lellouch, J.; Li, D.; Zivkovic, L.] Univ Paris 06, LPNHE, Paris, France. [Bernardi, G.; Brown, D.; Enari, Y.; Lellouch, J.; Li, D.; Zivkovic, L.] Univ Paris 07, CNRS, IN2P3, Paris, France. [Bassler, U.; Besancon, M.; Chapon, E.; Couderc, F.; Deliot, F.; Grohsjean, A.; Hubacek, Z.; Royon, C.; Shary, V.; Titov, M.; Tuchming, B.; Vilanova, D.] CEA, Irfu, SPP, Saclay, France. [Greder, S.; Miconi, F.; Ripp-Baudot, I.] Univ Strasbourg, CNRS, IN2P3, IPHC, Strasbourg, France. [Grenier, G.; Kurca, T.; Lebrun, P.] Univ Lyon 1, IPNL, CNRS, IN2P3, F-69622 Villeurbanne, France. [Grenier, G.; Kurca, T.; Lebrun, P.] Univ Lyon, Lyon, France. [Hebbeker, T.; Meyer, A.; Sonnenschein, L.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Bernhard, R.; Madar, R.] Univ Freiburg, Inst Phys, D-79106 Freiburg, Germany. [Brandt, O.; Deterre, C.; Mansour, J.; Meyer, J.; Quadt, A.; Shabalina, E.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Buescher, V.; Fiedler, F.; Hohlfeld, M.; Weichert, J.] Johannes Gutenberg Univ Mainz, Inst Phys, Mainz, Germany. [Nunnemann, T.; Sanders, M. P.] Univ Munich, Munich, Germany. [Beri, S. B.; Bhatnagar, V.; Dutt, S.; Kohli, J. M.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B.; Dubey, A.] Univ Delhi, Delhi 110007, India. [Acharya, B. S.; Banerjee, S.; Mondal, N. K.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Gruenewald, M. W.] Univ Coll Dublin, Dublin 2, Ireland. [Cho, S. W.; Choi, S.; Jeong, M. 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.; Heredia-De la Cruz, I.; Luna-Garcia, R.; Magana-Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [de Jong, S. J.; Filthaut, F.; Meijer, M. M.; van Leeuwen, W. M.] NIKHEF H, NL-1009 DB Amsterdam, Netherlands. [de Jong, S. J.; Filthaut, F.; Meijer, M. M.] 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. [Denisov, S. P.; Evdokimov, V. N.; Kozelov, A. V.; 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.; Scheglov, Y.; Uvarov, L.; Uvarov, S.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Juste, A.] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain. [Juste, A.] Inst Fis Altes Energies, Barcelona, Spain. [Buszello, C. P.] Uppsala Univ, Uppsala, Sweden. [Bertram, I.; Borissov, G.; Burdin, S.; Fox, H.; Ratoff, P. N.; Ross, A.] 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. [Agnew, J. P.; Ding, P. F.; Harder, K.; Head, T.; Hesketh, G.; McGivern, C. L.; Peters, Y.; Petridis, K.; Price, D.; Schwanenberger, C.; Soeldner-Rembold, S.; Suter, L.; Vesterinen, M.; Wyatt, T. R.; Zhao, T. G.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Das, A.; Johns, K.; Lei, X.; Nayyar, R.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Ellison, J.; Heinson, A. P.; Joshi, J.; Li, L.] Univ Calif Riverside, Riverside, CA 92521 USA. [Adams, T.; Askew, A.; Blessing, S.; Hoang, T.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Adams, M.; Bazterra, V.; Gerber, C. E.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Blazey, G.; Eads, M.; Feng, L.; Fortner, M.; Hedin, D.; Menezes, D.; 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.; Van Kooten, R.; Williams, M. R. J.; 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.; Sekaric, J.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Atkins, S.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Barberis, E.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Bhatia, S.; Holzbauer, J. L.; Kraus, J.; Quinn, B.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Claes, D.; DeVaughan, K.; Dominguez, A.; Katsanos, I.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA. [Gershtein, Y.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Tully, C.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; Zennamo, J.] SUNY Buffalo, Buffalo, NY 14260 USA. [Boline, D.; Chakrabarti, S.; Grannis, P. D.; Hobbs, J. D.; de Sa, R. Lopes; McCarthy, R.; Schamberger, R. D.; Tsybychev, D.; Ye, W.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [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. [Haley, J.; Hegab, H.; Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Cutts, D.; Heintz, U.; Jabeen, S.; Narain, M.; Parihar, V.; Partridge, R.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; Howley, I.; Pal, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Ilchenko, Y.; Kehoe, R.; Liu, H.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Hogan, J.; Orduna, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Bandurin, D. V.; Hirosky, R.; Li, H.; Mulhearn, M.; Nguyen, H. T.] Univ Virginia, Charlottesville, VA 22904 USA. [Watts, G.] Univ Washington, Seattle, WA 98195 USA. RP Aaltonen, T (reprint author), Univ Helsinki, Dept Phys, Div High Energy Phys, Siltavuorenpenger 20D, FIN-00014 Helsinki, Finland. RI Lokajicek, Milos/G-7800-2014; Grinstein, Sebastian/N-3988-2014; Paulini, Manfred/N-7794-2014; Sharyy, Viatcheslav/F-9057-2014; Chiarelli, Giorgio/E-8953-2012; Dudko, Lev/D-7127-2012; Kupco, Alexander/G-9713-2014; Simak, Vladislav/H-2996-2014; Lysak, Roman/H-2995-2014; Moon, Chang-Seong/J-3619-2014; Kozelov, Alexander/J-3812-2014; Scodellaro, Luca/K-9091-2014; Punzi, Giovanni/J-4947-2012; Yip, Kin/D-6860-2013; Ruiz, Alberto/E-4473-2011; Li, Liang/O-1107-2015; Juste, Aurelio/I-2531-2015; Lei, Xiaowen/O-4348-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Cavalli-Sforza, Matteo/H-7102-2015; Introzzi, Gianluca/K-2497-2015; Piacentino, Giovanni/K-3269-2015; Marino, Pietro/N-7030-2015; song, hao/I-2782-2012; Gorelov, Igor/J-9010-2015; maestro, paolo/E-3280-2010; Merkin, Mikhail/D-6809-2012; Prokoshin, Fedor/E-2795-2012 OI Vidal Marono, Miguel/0000-0002-2590-5987; Hays, Chris/0000-0003-2371-9723; Farrington, Sinead/0000-0001-5350-9271; Robson, Aidan/0000-0002-1659-8284; Williams, Mark/0000-0001-5448-4213; Grohsjean, Alexander/0000-0003-0748-8494; Dorigo, Mirco/0000-0002-0681-6946; Brucken, Jens Erik/0000-0001-6066-8756; Chapon, Emilien/0000-0001-6968-9828; Melnychuk, Oleksandr/0000-0002-2089-8685; Ding, Pengfei/0000-0002-4050-1753; Torre, Stefano/0000-0002-7565-0118; Grinstein, Sebastian/0000-0002-6460-8694; Paulini, Manfred/0000-0002-6714-5787; Sharyy, Viatcheslav/0000-0002-7161-2616; Chiarelli, Giorgio/0000-0001-9851-4816; Dudko, Lev/0000-0002-4462-3192; Moon, Chang-Seong/0000-0001-8229-7829; Scodellaro, Luca/0000-0002-4974-8330; Punzi, Giovanni/0000-0002-8346-9052; Margaroli, Fabrizio/0000-0002-3869-0153; Latino, Giuseppe/0000-0002-4098-3502; Group, Robert/0000-0002-4097-5254; iori, maurizio/0000-0002-6349-0380; Yip, Kin/0000-0002-8576-4311; Jun, Soon Yung/0000-0003-3370-6109; Toback, David/0000-0003-3457-4144; Ruiz, Alberto/0000-0002-3639-0368; Li, Liang/0000-0001-6411-6107; Sawyer, Lee/0000-0001-8295-0605; Hedin, David/0000-0001-9984-215X; Juste, Aurelio/0000-0002-1558-3291; de Jong, Sijbrand/0000-0002-3120-3367; Blessing, Susan/0000-0002-4455-7279; Duperrin, Arnaud/0000-0002-5789-9825; Hoeneisen, Bruce/0000-0002-6059-4256; Beuselinck, Raymond/0000-0003-2613-7446; Heinson, Ann/0000-0003-4209-6146; grannis, paul/0000-0003-4692-2142; Qian, Jianming/0000-0003-4813-8167; Bassler, Ursula/0000-0002-9041-3057; Price, Darren/0000-0003-2750-9977; Filthaut, Frank/0000-0003-3338-2247; Bertram, Iain/0000-0003-4073-4941; Malik, Sudhir/0000-0002-6356-2655; Blazey, Gerald/0000-0002-7435-5758; Wahl, Horst/0000-0002-1345-0401; Gershtein, Yuri/0000-0002-4871-5449; Bean, Alice/0000-0001-5967-8674; Simonenko, Alexander/0000-0001-6580-3638; Lancaster, Mark/0000-0002-8872-7292; Casarsa, Massimo/0000-0002-1353-8964; Lei, Xiaowen/0000-0002-2564-8351; Russ, James/0000-0001-9856-9155; Introzzi, Gianluca/0000-0002-1314-2580; Piacentino, Giovanni/0000-0001-9884-2924; Marino, Pietro/0000-0003-0554-3066; song, hao/0000-0002-3134-782X; Gorelov, Igor/0000-0001-5570-0133; maestro, paolo/0000-0002-4193-1288; Prokoshin, Fedor/0000-0001-6389-5399 FU DOE (USA); NSF (USA); ARC (Australia); CNPq (Brazil); FAPERJ (Brazil); FAPESP (Brazil); FUNDUNESP (Brazil); NSERC (Canada); NSC (China); CAS (China); CNSF (China); Colciencias (Colombia); MSMT (Czech Republic); GACR (Czech Republic); Academy of Finland (France); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); DAE (India); DST (India); SFI (Ireland); INFN (Italy); MEXT (Japan); Korean World Class University Program (Korea); NRF (Korea); CONACyT (Mexico); FOM (Netherlands); MON (Russia); NRC KI (Russia); RFBR (Russia); Slovak R&D Agency (Spain); Ministerio de Ciencia e Innovacion (Spain); Programa Consolider-Ingenio (Spain); Swedish Research Council (Sweden); SNSF (Switzerland); STFC (United Kingdom); Royal Society (United Kingdom); A.P. Sloan Foundation (USA); EU community Marie Curie Fellowship [302103] FX We thank the Fermilab staff and technical staffs of the participating institutions for their vital contributions. We acknowledge support from the DOE and NSF (USA), ARC (Australia), CNPq, FAPERJ, FAPESP, and FUNDUNESP (Brazil), NSERC (Canada), NSC, CAS, and CNSF (China), Colciencias (Colombia), MSMT and GACR (Czech Republic), the Academy of Finland, CEA and CNRS/IN2P3 (France), BMBF and DFG (Germany), DAE and DST (India), SFI (Ireland), INFN (Italy), MEXT (Japan), the Korean World Class University Program and NRF (Korea), CONACyT (Mexico), FOM (Netherlands), MON, NRC KI, and RFBR (Russia), the Slovak R&D Agency, the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010 (Spain), The Swedish Research Council (Sweden), SNSF (Switzerland), STFC and the Royal Society (United Kingdom), the A.P. Sloan Foundation (USA), and the EU community Marie Curie Fellowship Contract No. 302103. NR 72 TC 29 Z9 29 U1 2 U2 32 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 1 PY 2014 VL 89 IS 7 AR 072001 DI 10.1103/PhysRevD.89.072001 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AE9FW UT WOS:000334312300001 ER PT J AU Kong, K Lee, HS Park, M AF Kong, Kyoungchul Lee, Hye-Sung Park, Myeonghun TI Dark decay of the top quark SO PHYSICAL REVIEW D LA English DT Article ID ATLAS DETECTOR; COLLISIONS; SEARCH; BOSON; LHC AB We suggest top quark decays as a venue to search for light dark force carriers. The top quark is the heaviest particle in the standard model whose decays are relatively poorly measured, allowing sufficient room for exotic decay modes from new physics. A very light (GeV scale) dark gauge boson (Z') is a recently highlighted hypothetical particle that can address some astrophysical anomalies as well as the 3.6 sigma deviation in the muon g - 2 measurement. We present and study a possible scenario that top quark decays as t -> bW + Z's. This is the same as the dominant top quark decay (t -> bW) accompanied by one or multiple dark force carriers. The Z' can be easily boosted, and it can decay into highly collimated leptons (lepton-jet) with large branching ratio. We discuss the implications for the Large Hadron Collider experiments including the analysis based on the lepton-jets. C1 [Kong, Kyoungchul] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Lee, Hye-Sung] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [Lee, Hye-Sung] Jefferson Lab, Theory Ctr, Newport News, VA 23606 USA. [Park, Myeonghun] Univ Tokyo, Kavli IPMU WPI, Kashiwa, Chiba 2778583, Japan. RP Kong, K (reprint author), Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. FU U.S. DOE [DE-FG02-12ER41809, DE-AC05-06OR23177]; University of Kansas General Research Fund allocation [2301566]; NSF [PHY-1068008]; World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan FX K. K. is supported by the U.S. DOE under Grant No. DE-FG02-12ER41809, the University of Kansas General Research Fund allocation 2301566. H. L. is supported by U.S. DOE under Grant No. DE-AC05-06OR23177, the NSF under Grant No. PHY-1068008. M. P. is supported by the World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan. NR 43 TC 8 Z9 8 U1 1 U2 11 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 APR 1 PY 2014 VL 89 IS 7 AR 074007 DI 10.1103/PhysRevD.89.074007 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AE9FW UT WOS:000334312300004 ER PT J AU Qiao, CF Zhu, RL AF Qiao, Cong-Feng Zhu, Rui-Lin TI Understanding the cross section of e(+)e(-) -> eta J/psi process via nonrelativistic QCD SO PHYSICAL REVIEW D LA English DT Article ID HEAVY QUARKONIUM; MIXING ANGLE; ANNIHILATION; AMPLITUDES AB Motivated by the large cross section of the e(+)e(-) -> eta J / psi process measured by the BESIII and Belle Collaborations recently, we evaluate this process at Omicron alpha(4)(s) _ accuracy in the framework of nonrelativistic QCD. We find that the cross section at the center-of-mass energy root s = 4.009 GeV is 34.6 pb, which is consistent with the BESIII data. The comparison with the Belle data in the region from 4.0 to 5.3 GeV is also presented. Concerning the eta and eta' mixing and the potential gluonium component of eta', we also estimate the rate of the e(+)e(-) -> eta J / psi process, which can be checked within the updated Belle data. C1 [Qiao, Cong-Feng; Zhu, Rui-Lin] Univ Chinese Acad Sci, Sch Phys, Beijing 100049, Peoples R China. [Qiao, Cong-Feng] USTC, Collaborat Innovat Ctr Particles & Interact, Hefei 230026, Peoples R China. [Zhu, Rui-Lin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Zhu, RL (reprint author), Univ Chinese Acad Sci, Sch Phys, YuQuan Rd 19A, Beijing 100049, Peoples R China. EM qiaocf@ucas.ac.cn; zhuruilin09@mails.ucas.ac.cn RI Zhu, Rui-Lin/L-6440-2016 OI Zhu, Rui-Lin/0000-0001-6733-859X FU National Natural Science Foundation of China (NSFC) [10935012, 11121092, 11375200, 11175249] FX We thank Feng Yuan, Xiaolong Wang, and Zhiqing Liu for useful discussions. This work was supported in part by the National Natural Science Foundation of China (NSFC) under Grants No. 10935012, No. 11121092, No. 11375200, and No. 11175249. NR 41 TC 7 Z9 7 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 1 PY 2014 VL 89 IS 7 AR 074006 DI 10.1103/PhysRevD.89.074006 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AE9FW UT WOS:000334312300003 ER PT J AU Rinderknecht, HG Sio, H Li, CK Zylstra, AB Rosenberg, MJ Amendt, P Delettrez, J Bellei, C Frenje, JA Johnson, MG Seguin, FH Petrasso, RD Betti, R Glebov, VY Meyerhofer, DD Sangster, TC Stoeckl, C Landen, O Smalyuk, VA Wilks, S Greenwood, A Nikroo, A AF Rinderknecht, H. G. Sio, H. Li, C. K. Zylstra, A. B. Rosenberg, M. J. Amendt, P. Delettrez, J. Bellei, C. Frenje, J. A. Johnson, M. Gatu Seguin, F. H. Petrasso, R. D. Betti, R. Glebov, V. Yu. Meyerhofer, D. D. Sangster, T. C. Stoeckl, C. Landen, O. Smalyuk, V. A. Wilks, S. Greenwood, A. Nikroo, A. TI First Observations of Nonhydrodynamic Mix at the Fuel-Shell Interface in Shock-Driven Inertial Confinement Implosions SO PHYSICAL REVIEW LETTERS LA English DT Article ID RAYLEIGH-TAYLOR INSTABILITY; NATIONAL-IGNITION-FACILITY; FUSION; OMEGA; TARGETS AB A strong nonhydrodynamic mechanism generating atomic fuel-shell mix has been observed in strongly shocked inertial confinement fusion implosions of thin deuterated-plastic shells filled with He-3 gas. These implosions were found to produce (DHe)-He-3-proton shock yields comparable to implosions of identical shells filled with a hydroequivalent 50:50 (DHe)-He-3 gas mixture. Standard hydrodynamic mixing cannot explain this observation, as hydrodynamic modeling including mix predicts a yield an order of magnitude lower than was observed. Instead, these results can be attributed to ion diffusive mix at the fuel-shell interface. C1 [Rinderknecht, H. G.; Sio, H.; Li, C. K.; Zylstra, A. B.; Rosenberg, M. J.; Frenje, J. A.; Johnson, M. Gatu; Seguin, F. H.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Amendt, P.; Bellei, C.; Landen, O.; Smalyuk, V. A.; Wilks, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Delettrez, J.; Betti, R.; Glebov, V. Yu.; Meyerhofer, D. D.; Sangster, T. C.; Stoeckl, C.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Greenwood, A.; Nikroo, A.] Gen Atom Co, San Diego, CA 92121 USA. RP Rinderknecht, HG (reprint author), MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. EM hgr@mit.edu OI /0000-0003-4969-5571 FU U.S. DOE [DE-NA0001857]; FSC [5-24431]; NLUF [DE-NA0002035]; LLE [415935-G]; LLNL [B597367]; NNSA Stewardship Science Graduate Fellowship [DE-FC52-08NA28752] FX The authors thank R. Frankel and E. Doeg for contributing to the processing of CR-39 data used in this work, the OMEGA operations crew for their help in executing these experiments, and Dr. J.R. Rygg (LLNL) and Dr. N. Hoffman (LANL) for valuable discussions regarding this work. This work is presented in partial fulfillment of the first author's PhD thesis and supported in part by U.S. DOE (Grant No. DE-NA0001857), FSC (Grant No. 5-24431), NLUF (Grant No. DE-NA0002035), LLE (Grant No. 415935-G), LLNL (Grant No. B597367), and NNSA Stewardship Science Graduate Fellowship (DE-FC52-08NA28752). NR 26 TC 17 Z9 17 U1 1 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 1 PY 2014 VL 112 IS 13 AR 135001 DI 10.1103/PhysRevLett.112.135001 PG 5 WC Physics, Multidisciplinary SC Physics GA AE9OH UT WOS:000334336600007 PM 24745431 ER PT J AU Taprogge, J Jungclaus, A Grawe, H Nishimura, S Doornenbal, P Lorusso, G Simpson, GS Soderstrom, PA Sumikama, T Xu, ZY Baba, H Browne, F Fukuda, N Gernhauser, R Gey, G Inabe, N Isobe, T Jung, HS Kameda, D Kim, GD Kim, YK Kojouharov, I Kubo, T Kurz, N Kwon, YK Li, Z Sakurai, H Schaffner, H Steiger, K Suzuki, H Takeda, H Vajta, Z Watanabe, H Wu, J Yagi, A Yoshinaga, K Benzoni, G Bonig, S Chae, KY Coraggio, L Covello, A Daugas, JM Drouet, F Gadea, A Gargano, A Ilieva, S Kondev, FG Kroll, T Lane, GJ Montaner-Piza, A Moschner, K Mucher, D Naqvi, F Niikura, M Nishibata, H Odahara, A Orlandi, R Patel, Z Podolyak, Z Wendt, A AF Taprogge, J. Jungclaus, A. Grawe, H. Nishimura, S. Doornenbal, P. Lorusso, G. Simpson, G. S. Soederstroem, P. -A. Sumikama, T. Xu, Z. Y. Baba, H. Browne, F. Fukuda, N. Gernhaeuser, R. Gey, G. Inabe, N. Isobe, T. Jung, H. S. Kameda, D. Kim, G. D. Kim, Y. -K. Kojouharov, I. Kubo, T. Kurz, N. Kwon, Y. K. Li, Z. Sakurai, H. Schaffner, H. Steiger, K. Suzuki, H. Takeda, H. Vajta, Zs. Watanabe, H. Wu, J. Yagi, A. Yoshinaga, K. Benzoni, G. Boenig, S. Chae, K. Y. Coraggio, L. Covello, A. Daugas, J. -M. Drouet, F. Gadea, A. Gargano, A. Ilieva, S. Kondev, F. G. Kroell, T. Lane, G. J. Montaner-Piza, A. Moschner, K. Muecher, D. Naqvi, F. Niikura, M. Nishibata, H. Odahara, A. Orlandi, R. Patel, Z. Podolyak, Zs. Wendt, A. TI 1p(3/2) Proton-Hole State in Sn-132 and the Shell Structure Along N=82 SO PHYSICAL REVIEW LETTERS LA English DT Article ID NUCLEAR-STRUCTURE AB A low-lying state in In-131(82), the one-proton hole nucleus with respect to double magic Sn-132, was observed by its gamma decay to the I-pi 1/2(-) beta-emitting isomer. We identify the new state at an excitation energy of E-x = 1353 keV, which was populated both in the beta decay of Cd-131(83) and after beta-delayed neutron emission from Cd-132(84), as the previously unknown pi p(3/2) single-hole state with respect to the Sn-132 core. Exploiting this crucial new experimental information, shell-model calculations were performed to study the structure of experimentally inaccessible N = 82 isotones below Sn-132. The results evidence a surprising absence of proton subshell closures along the chain of N = 82 isotones. The consequences of this finding for the evolution of the N = 82 shell gap along the r-process path are discussed. C1 [Taprogge, J.; Jungclaus, A.] CSIC, Inst Estruct Mat, E-28006 Madrid, Spain. [Taprogge, J.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Taprogge, J.; Nishimura, S.; Doornenbal, P.; Lorusso, G.; Soederstroem, P. -A.; Baba, H.; Browne, F.; Fukuda, N.; Gey, G.; Inabe, N.; Isobe, T.; Kameda, D.; Kubo, T.; Sakurai, H.; Suzuki, H.; Takeda, H.; Vajta, Zs.; Watanabe, H.; Wu, J.] RIKEN, Nishina Ctr, Wako, Saitama 3510198, Japan. [Grawe, H.; Kojouharov, I.; Kurz, N.; Schaffner, H.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Simpson, G. S.; Gey, G.; Drouet, F.] Univ Grenoble 1, LPSC, CNRS, Inst Natl Polytech Grenoble,IN2P3, F-38026 Grenoble, France. [Sumikama, T.] Tohoku Univ, Dept Phys, Aoba Ku, Sendai, Miyagi 9808578, Japan. [Xu, Z. Y.; Sakurai, H.; Niikura, M.] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Browne, F.] Univ Brighton, Sch Comp Engn & Math, Brighton BN2 4JG, E Sussex, England. [Gernhaeuser, R.; Steiger, K.; Muecher, D.] Tech Univ Munich, Phys Dept E12, D-85748 Garching, Germany. [Gey, G.] Inst Laue Langevin, F-38042 Grenoble 9, France. [Jung, H. S.] Chung Ang Univ, Dept Phys, Seoul 156756, South Korea. [Kim, G. D.; Kim, Y. -K.; Kwon, Y. K.] Inst for Basic Sci, Rare Isotope Sci Project, Taejon 305811, South Korea. [Kim, Y. -K.] Hanyang Univ, Dept Nucl Engn, Seoul 133791, South Korea. [Li, Z.; Wu, J.] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. [Li, Z.; Wu, J.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Vajta, Zs.] MTA Atomki, H-4001 Debrecen, Hungary. [Yagi, A.; Nishibata, H.; Odahara, A.] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Yoshinaga, K.] Tokyo Univ Sci, Fac Sci & Technol, Dept Phys, Noda, Chiba 278, Japan. [Benzoni, G.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Boenig, S.; Ilieva, S.; Kroell, T.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Coraggio, L.; Covello, A.; Gargano, A.] Complesso Univ Monte S Angelo, Ist Nazl Fis Nucl, I-80126 Naples, Italy. [Covello, A.] Univ Naples Federico II, Dipartimento Fis, Complesso Univ Monte S Angelo, I-80126 Naples, Italy. [Daugas, J. -M.] CEA, DAM, DIF, F-91297 Arpajon, France. [Gadea, A.; Montaner-Piza, A.] Univ Valencia, CSIC, Inst Fis Corpuscular, E-46980 Paterna, Spain. [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Lane, G. J.] Australian Natl Univ, Res Sch Phys Sci & Engn, Dept Nucl Phys, Canberra, ACT 0200, Australia. [Moschner, K.; Wendt, A.] Univ Cologne, IKP, D-50937 Cologne, Germany. [Naqvi, F.] Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. [Orlandi, R.] Katholieke Univ Leuven, Inst Kern Stralingsfys, B-3001 Heverlee, Belgium. [Orlandi, R.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. [Patel, Z.; Podolyak, Zs.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. RP Jungclaus, A (reprint author), CSIC, Inst Estruct Mat, Serrano 119, E-28006 Madrid, Spain. EM andrea.jungclaus@csic.es RI SAKURAI, HIROYOSHI/G-5085-2014; Lane, Gregory/A-7570-2011; Gadea, Andres/L-8529-2014; Coraggio, Luigi/P-4857-2015 OI Lane, Gregory/0000-0003-2244-182X; Gadea, Andres/0000-0002-4233-1970; Coraggio, Luigi/0000-0002-4327-9107 FU Spanish Ministerio de Ciencia e Innovacion [FPA2009-13377-C02, FPA2011-29854-C04]; Generalitat Valenciana (Spain) [PROMETEO/2010/101]; Japanese government KAKENHI [25247045]; National Research Foundation of Korea (NRF); Korea government (MEST) [NRF-2012R1A1A1041763]; Priority Centers Research Program in Korea [2009-0093817]; OTKA [K-100835]; European Commission [300096]; U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; German BMBF [05P12RDCIA, 05P12RDNUP]; HIC for FAIR FX We thank the staff of the RIKEN Nishina Center accelerator complex for providing stable beams with high intensities to the experiment. We acknowledge the EUROBALL Owners Committee for the loan of germanium detectors and the PreSpec Collaboration for the readout electronics of the cluster detectors. This work was supported by the Spanish Ministerio de Ciencia e Innovacion under Contracts No. FPA2009-13377-C02 and No. FPA2011-29854-C04, the Generalitat Valenciana (Spain) under grant PROMETEO/2010/101, the Japanese government under contract KAKENHI (25247045), the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. NRF-2012R1A1A1041763), the Priority Centers Research Program in Korea (2009-0093817), OTKA contract number K-100835, the European Commission through the Marie Curie Actions call FP7-PEOPLE-2011-IEF under Contract No. 300096, the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357 and the German BMBF (No. 05P12RDCIA and 05P12RDNUP) and HIC for FAIR. NR 32 TC 17 Z9 18 U1 1 U2 40 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 1 PY 2014 VL 112 IS 13 AR 132501 DI 10.1103/PhysRevLett.112.132501 PG 6 WC Physics, Multidisciplinary SC Physics GA AE9OH UT WOS:000334336600001 PM 24745408 ER PT J AU Frieman, J AF Frieman, Joshua TI Probing the accelerating UNIVERSE SO PHYSICS TODAY LA English DT Article ID BARYON ACOUSTIC-OSCILLATIONS; COSMIC ACCELERATION; DARK ENERGY; SUPERNOVAE; CONSTANT C1 [Frieman, Joshua] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Frieman, Joshua] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Frieman, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 15 TC 6 Z9 6 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0031-9228 EI 1945-0699 J9 PHYS TODAY JI Phys. Today PD APR PY 2014 VL 67 IS 4 BP 28 EP 33 DI 10.1063/PT.3.2346 PG 6 WC Physics, Multidisciplinary SC Physics GA AE8QT UT WOS:000334267100018 ER PT J AU Gott, MD Ballard, BD Redman, LN Maassen, JR Taylor, WA Engle, JW Nortier, FM Birnbaum, ER John, KD Wilbur, DS Cutler, CS Ketring, AR Jurisson, SS Fassbender, ME AF Gott, Matthew D. Ballard, Beau D. Redman, Lindsay N. Maassen, Joel R. Taylor, Wayne A. Engle, Jonathan W. Nortier, F. Meiring Birnbaum, Eva R. John, Kevin D. Wilbur, D. Scott Cutler, Cathy S. Ketring, Alan R. Jurisson, Silvia S. Fassbender, Michael E. TI Radiochemical Study of Re/W Adsorption Behavior on a Strongly Basic Anion Exchange Resin SO RADIOCHIMICA ACTA LA English DT Article DE Re/W separation; Distribution coefficients; Adsorption kinetics; Thermodynamics. ID PROTON; IRRADIATION; RE-186G AB Rhenium-186g is a radionuclide with a high potential for therapeutic applications. It emits therapeutic beta particles accompanied by low energy gamma-rays, which allows for in-vivo tracking of the radiolabeled compound and dosimetry estimates. The current reactor production pathway (185) Re(eta,gamma) Re-186g produces low specific activity Re-186g, thereby limiting its therapeutic application. Work is underway to develop an accelerator-based, charged particle induced production method for high specific activity Re-186g from targets of enriched W-186. To optimize the chemical Re-186g recovery method, batch studies have been performed to characterize the adsorption behavior of Re and W on a strongly basic anion exchange resin. An indepth physicochemical profile was developed for the interaction of Re with resin material, which showed the reaction to be endothermic and spontaneous. Basic (NaOH) and acidic (HNO 3) matrices were used to determine the equilibrium distribution coefficients for Re and W. The resin exhibits the best affinity for Re at slightly basic conditions and little affinity above moderately acidic concentrations. Tungsten has lowaffinity for the resin abovemoderately basic concentrations. A study was performed to examine the effect of W concentration on Re adsorption, which showed that even a high ionicWO(4) (2-) strength of up to 1.9mol kg (- 1) does not significantly compromise ReO4- retention on the resin. C1 [Gott, Matthew D.; Ballard, Beau D.; Redman, Lindsay N.; Maassen, Joel R.; Taylor, Wayne A.; Engle, Jonathan W.; Nortier, F. Meiring; Birnbaum, Eva R.; John, Kevin D.; Fassbender, Michael E.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Gott, Matthew D.; Jurisson, Silvia S.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Gott, Matthew D.; Cutler, Cathy S.; Ketring, Alan R.] Univ Missouri, Res Reactor Ctr, Columbia, MO 65211 USA. [Wilbur, D. Scott] Univ Washington, Dept Radiat Oncol, Seattle, WA 98105 USA. RP Fassbender, ME (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM mifa@lanl.gov RI Ballard, Beau/E-2925-2017; OI Ballard, Beau/0000-0003-1206-9358; John, Kevin/0000-0002-6181-9330; Nortier, Francois/0000-0002-7549-8101 FU United States Department of Energy through the Office of Science, Nuclear Physics [DE-FOA-0000048, DE-SC0007348]; LANL/LDRD Program; G.T. Seaborg Institute for Transactinium Science; National Science Foundation under IGERT award [DGE-0965983] FX The authors would like to thank the Los Alamos National Laboratory Isotope Production team and the University of Missouri Research Reactor staff for conducting the irradiations necessary to obtain the Re and W radiotracers for this study. We also duly acknowledge the support of the United States Department of Energy through the Office of Science, Nuclear Physics (DE-FOA-0000048 and DE-SC0007348), the LANL/LDRD Program, the G.T. Seaborg Institute for Transactinium Science, and trainee support from the National Science Foundation under IGERT award DGE-0965983 (M. D. Gott) for funding this work. NR 19 TC 6 Z9 6 U1 2 U2 21 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0033-8230 J9 RADIOCHIM ACTA JI Radiochim. Acta PD APR PY 2014 VL 102 IS 4 BP 325 EP 332 DI 10.1515/ract-2013-2144 PG 8 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AE8YK UT WOS:000334288800005 ER PT J AU Magnelind, PE Kim, YJ Matlashov, AN Newman, SG Volegov, PL Espy, MA AF Magnelind, P. E. Kim, Y. J. Matlashov, A. N. Newman, S. G. Volegov, P. L. Espy, M. A. TI Toward early cancer detection using superparamagnetic relaxometry in a SQUID-based ULF-MRI system SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article; Proceedings Paper CT 11th European Conference on Applied Superconductivity (EUCAS) CY SEP 15-19, 2013 CL Genoa, ITALY DE cancer detection; SQUIDs; relaxometry ID NANOPARTICLES; SENSORS; CELLS AB To detect cancer at a very early state it is essential to detect a very small quantity of cancerous cells. One very sensitive method relies on targeting the cancer cells using antibody labeled single-core magnetic nanoparticles and detecting the relaxation of the magnetization using instruments based on superconducting quantum interference devices (SQUIDs). However, the localization suffers from inverse-problem issues similar to those found in magnetoencephalography. On the other hand, the same magnetic nanoparticles can also work as contrast agents for magnetic resonance imaging. Through the combination of superparamagnetic relaxometry and ultra-low field magnetic resonance imaging (ULF MRI), in one and the same instrument, the accuracy of the magnetic moment localization can be enhanced and anatomical information can also be obtained. Results on superparamagnetic relaxometry and the dipole localization accuracy in our seven-channel low-T-c SQUID-gradiometer array are reported. C1 [Magnelind, P. E.; Kim, Y. J.; Matlashov, A. N.; Newman, S. G.; Volegov, P. L.; Espy, M. A.] Los Alamos Natl Lab, Appl Modern Phys Grp, Los Alamos, NM 87545 USA. RP Magnelind, PE (reprint author), Los Alamos Natl Lab, Appl Modern Phys Grp, POB 1663,MS D454, Los Alamos, NM 87545 USA. EM per@lanl.gov NR 14 TC 2 Z9 2 U1 2 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD APR PY 2014 VL 27 IS 4 AR 044031 DI 10.1088/0953-2048/27/4/044031 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AF0WT UT WOS:000334435900034 ER PT J AU Maiorov, B Mele, P Baily, SA Weigand, M Lin, SZ Balakirev, FF Matsumoto, K Nagayoshi, H Fujita, S Yoshida, Y Ichino, Y Kiss, T Ichinose, A Mukaida, M Civale, L AF Maiorov, B. Mele, P. Baily, S. A. Weigand, M. Lin, S-Z Balakirev, F. F. Matsumoto, K. Nagayoshi, H. Fujita, S. Yoshida, Y. Ichino, Y. Kiss, T. Ichinose, A. Mukaida, M. Civale, L. TI Inversion of the upper critical field anisotropy in FeTeS films SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article; Proceedings Paper CT 11th European Conference on Applied Superconductivity (EUCAS) CY SEP 15-19, 2013 CL Genoa, ITALY DE upper critical field; anisotropy; two-band superconductor; chalcogens; thin films ID SUPERCONDUCTIVITY AB We present the complete superconducting upper critical field ( Hc(2))-temperature. (T) diagram of FeTeS films measured at three crystalline orientations ( H parallel to c, 45 degrees and ab). We find that Hc(2) is almost isotropic in magnetic field orientation with mu H-0(c2) (T = 0) similar to 30 T and a transition temperature of T-c similar to 7 K. A small but clear Hc(2) angular anisotropy is observed, with a crossover around T = 0: 7(Tc,) from H-c2 parallel to c/< H-c2. (parallel to ab)/ for T > 0: 7T(c) to H-c2 (()parallel to c)/> H-c2. (parallel to ab) for T < 0: 7T(c). This change in the anisotropy is similar to that observed in FeTeS and FeTeSe single crystals but occurs at a higher T/ Tc for our film. We analyze the H-c2. (T) in terms of pair-breaking mechanisms and two-band superconductor theory. Understanding the inversion of Hc2 opens the possibility to adjust the effective anisotropy of superconductors for different applications. C1 [Maiorov, B.; Baily, S. A.; Weigand, M.; Balakirev, F. F.; Civale, L.] Los Alamos Natl Lab, MPA CMMS, Los Alamos, NM 87545 USA. [Mele, P.] Hiroshima Univ, Inst Sustainable Sci & Dev, Higashihiroshima 7398530, Japan. [Mele, P.] Alamos Natl Lab, AOT IC, Los Alamos, NM 87545 USA. [Lin, S-Z] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Matsumoto, K.; Nagayoshi, H.; Fujita, S.] Kyushu Inst Technol, Dept Mat Sci, Kitakyushu, Fukuoka 8048550, Japan. [Mukaida, M.] Kyushu Univ, Dept Mat Sci & Engn, Fukuoka 812858, Japan. [Yoshida, Y.; Ichino, Y.] Nagoya Univ, Dept Energy Engn & Sci, Nagoya, Aichi 4648603, Japan. [Matsumoto, K.; Yoshida, Y.; Ichino, Y.; Kiss, T.; Ichinose, A.; Mukaida, M.] JST TRIP, Tsukuba, Ibaraki 3050047, Japan. [Kiss, T.] Kyushu Univ, Dept Elect & Elect Syst Engn, Fukuoka 8128581, Japan. [Ichinose, A.] Elect Power Engn Res Lab, CRIEPI, Yokosuka, Kanagawa 2400196, Japan. RP Maiorov, B (reprint author), Los Alamos Natl Lab, MPA CMMS, POB 1663, Los Alamos, NM 87545 USA. EM maiorov@lanl.gov RI Lin, Shi-Zeng/B-2906-2008; Kiss, Takanobu/M-4067-2014; U-ID, Kyushu/C-5291-2016; OI Lin, Shi-Zeng/0000-0002-4368-5244; Kiss, Takanobu/0000-0001-6380-8435; Maiorov, Boris/0000-0003-1885-0436; Civale, Leonardo/0000-0003-0806-3113 NR 27 TC 3 Z9 3 U1 6 U2 25 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 APR PY 2014 VL 27 IS 4 AR 044005 DI 10.1088/0953-2048/27/4/044005 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AF0WT UT WOS:000334435900008 ER PT J AU Wu, JZ Shi, JJ Baca, JF Emergo, R Haugan, TJ Maiorov, B Holesinger, T AF Wu, Judy Z. Shi, Jack J. Baca, Javier F. Emergo, Rose Haugan, Timothy J. Maiorov, Boris Holesinger, Terry TI The effect of lattice strain on the diameter of BaZrO3 nanorods in epitaxial YBa2Cu3O7-delta films SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article; Proceedings Paper CT 11th European Conference on Applied Superconductivity (EUCAS) CY SEP 15-19, 2013 CL Genoa, ITALY DE YBCO film; nanostructure; lattice strain; pinning; nanocomposites ID THIN-FILMS AB An elastic strain model has been applied in an effort to understand the effect of the lattice strain on the diameter of the BaZrO3 (BZO) nanorods self-assembled into aligned arrays along the c-axis in BZO-doped epitaxial YBa2Cu3O7-delta (YBCO) thin films. The calculated elastic energy of the strained BZO/YBCO composite lattice suggests that the diameter of the nanorods is approximately independent of the doping concentration of BZO as long as the density of the nanorods is sufficiently large. An experimental confirmation was carried out using transmission electron microscopy on YBCO thin films with BZO doping varying from 2% to 6% volume concentration. The diameter of the BZO nanorods was indeed found to be approximately constant in the range of 5.2-5.9 nm. The increase of the doping concentration therefore simply leads to an increase of the nanorod density, which links directly to the matching field of the effective pinning and is consistent with the transport J(c) results measured for these samples. C1 [Wu, Judy Z.; Shi, Jack J.; Baca, Javier F.; Emergo, Rose] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Haugan, Timothy J.] US Air Force, Res Lab, Wright Patterson AFB, OH 45433 USA. [Maiorov, Boris; Holesinger, Terry] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Shi, JJ (reprint author), Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. EM jshi@ku.edu OI Maiorov, Boris/0000-0003-1885-0436 NR 20 TC 13 Z9 13 U1 3 U2 27 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 APR PY 2014 VL 27 IS 4 AR 044010 DI 10.1088/0953-2048/27/4/044010 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AF0WT UT WOS:000334435900013 ER PT J AU de Villers, BJT MacKenzie, RCI Jasieniak, JJ Treat, ND Chabinyc, ML AF de Villers, Bertrand J. Tremolet MacKenzie, Roderick C. I. Jasieniak, Jacek J. Treat, Neil D. Chabinyc, Michael L. TI Linking Vertical Bulk-Heterojunction Composition and Transient Photocurrent Dynamics in Organic Solar Cells with Solution- Processed MoO x Contact Layers SO ADVANCED ENERGY MATERIALS LA English DT Article DE drift-diffusion; metal oxide; solution processing; molybdenum oxide; organic solar cells; photocurrent dynamics ID OXIDE INTERFACIAL LAYER; LOW-TEMPERATURE; DEVICE PERFORMANCE; THIN-FILMS; POLYMER; RECOMBINATION; EFFICIENCY; POLYMER/FULLERENE; BLENDS; STATES AB It is demonstrated that a combination of microsecond transient photocurrent measurements and film morphology characterization can be used to identify a charge-carrier blocking layer within polymer:fullerene bulk-heterojunction solar cells. Solution-processed molybdenum oxide (s-MoOx) interlayers are used to control the morphology of the bulk-heterojunction. By selecting either a low- or high-temperature annealing (70 degrees C or 150 degrees C) for the s-MoOx layer, a well-performing device is fabricated with an ideally interconnected, high-efficiency morphology, or a device is fabricated in which the fullerene phase segregates near the hole extracting contact preventing efficient charge extraction. By probing the photocurrent dynamics of these two contrasting model systems as a function of excitation voltage and light intensity, the optoelectronic responses of the solar cells are correlated with the vertical phase composition of the polymer:fullerene active layer, which is known from dynamic secondary-ion mass spectroscopy (DSIMS). Numerical simulations are used to verify and understand the experimental results. The result is a method to detect poor morphologies in operating organic solar cells. C1 [de Villers, Bertrand J. Tremolet; Treat, Neil D.; Chabinyc, Michael L.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [MacKenzie, Roderick C. I.] Dept Mech Mat & Mfg Engn, Nottingham NG7 2RD, England. [Jasieniak, Jacek J.] Univ Calif Santa Barbara, Ctr Polymer & Organ Solids, Dept Phys, Santa Barbara, CA 93106 USA. RP de Villers, BJT (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM bertrand@mrl.ucsb.edu; mchabinyc@engineering.ucsb.edu RI SPIEL, CSIRO/C-2809-2013; Tremolet de Villers, Bertrand/A-5628-2010 OI Tremolet de Villers, Bertrand/0000-0001-8685-539X FU DoD Defense Threat Reduction Agency [HDTRA1-10-1-0110]; Department of Energy; DOE [DE-FG02-08ER46535]; NSF ConvEne IGERT Program [NSF-DGE 0801627]; NSF Graduate Research Fellowship; CSIRO; Australian Research Council through the APD [DP110105341]; Australian Solar Institute USASEC research exchange program; Fulbright Postdoctoral Fellowship Scheme; MRSEC Program of the NSF [DMR-1121053]; NSF FX M.L.C. and B.T.d.V. were supported as part of the DoD Defense Threat Reduction Agency under award HDTRA1-10-1-0110. Parts of this research were supported by the Department of Energy under a grant titled "Charge Recombination, Transport Dynamics, and Interfacial Effects in Organic Solar Cells"; DOE #DE-FG02-08ER46535. N.D.T. acknowledges support from the NSF ConvEne IGERT Program (NSF-DGE 0801627), and NSF Graduate Research Fellowship. J.J.J. thanks Prof. Alan Heeger for hosting him while at UCSB and for providing insightful discussions. He also acknowledges financial support through CSIRO, Australian Research Council for support through the APD grant DP110105341, the Australian Solar Institute USASEC research exchange program, and the Fulbright Postdoctoral Fellowship Scheme. Portions of this research were carried out at the MRL Central Facilities, which is supported by the MRSEC Program of the NSF under Award No. DMR-1121053; a member of the NSF-funded Materials Research Facilities Network (www.mrfn.org). NR 57 TC 15 Z9 15 U1 5 U2 49 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD APR PY 2014 VL 4 IS 5 AR 1301290 DI 10.1002/aenm.201301290 PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AE1DT UT WOS:000333708100014 ER PT J AU Gao, J Dou, LT Chen, W Chen, CC Guo, XR You, JB Bob, B Chang, WH Strzalka, J Wang, C Li, G Yang, Y AF Gao, Jing Dou, Letian Chen, Wei Chen, Chun-Chao Guo, Xuanrong You, Jingbi Bob, Brion Chang, Wei-Hsuan Strzalka, Joseph Wang, Cheng Li, Gang Yang, Yang TI Improving Structural Order for a High-Performance Diketopyrrolopyrrole-Based Polymer Solar Cell with a Thick Active Layer SO ADVANCED ENERGY MATERIALS LA English DT Article DE thick active layers; diketopyrrolopyrrole; thienylbenzodithiophene; polymer side chains; high carrier mobility ID LOW-BANDGAP POLYMER; POWER CONVERSION EFFICIENCY; OPEN-CIRCUIT VOLTAGE; CONJUGATED POLYMERS; TANDEM POLYMER; PHOTOVOLTAIC APPLICATIONS; SOLVENT ADDITIVES; PHASE-SEPARATION; CHARGE-TRANSPORT; GAP POLYMERS AB A series of low-bandgap polymers based on thienyl benzodithiophene (BDTT) and furan-substituted diketopyrrolopyrrole (FDPP) units with different side chains are presented. By replacing the branched ethylhexyl group on the FDPP unit with linear side chains, the structural order and carrier mobility of the modified polymers are enhanced accordingly. The power conversion efficiencies (PCE) of single-junction devices based on polymers of this series are improved from approximate to 5% to approximate to 7%. More importantly, devices made from the modified polymers show excellent photovoltaic performance with a thick active layer of up to 360 nm, a very promising characteristic for the industrial implementation of polymer solar cell devices. C1 [Gao, Jing; Dou, Letian; Chen, Chun-Chao; Guo, Xuanrong; You, Jingbi; Bob, Brion; Chang, Wei-Hsuan; Li, Gang; Yang, Yang] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Chen, Wei] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Chen, Wei] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Strzalka, Joseph] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Li, G (reprint author), Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. EM gangl@ucla.edu; yangy@ucla.edu RI Chen, Wei/G-6055-2011; Li, Gang/A-5667-2012; Yang, Yang/A-2944-2011; You, Jingbi/A-2941-2011; Wang, Cheng/A-9815-2014; OI Chen, Wei/0000-0001-8906-4278; Li, Gang/0000-0001-8399-7771; You, Jingbi/0000-0002-4651-9081; GAO, JING/0000-0003-2059-0290 FU Office of Naval Research [N00014-11-1-0250]; National Science Foundation [DMR-1210893]; UCLA Henry Samueli School of Engineering and Applied Science; NSF [DGE-0903720] FX J.G. and L.D. contributed equally to this work. This work was financially supported by the Office of Naval Research (Grant no. N00014-11-1-0250; program manager: P. Armistead), and the National Science Foundation (Grant no. DMR-1210893; program manager: A. J. Lovinger). G.L. would like to thank the UCLA Henry Samueli School of Engineering and Applied Science for financial support. C.-C.C. would like to thank NSF-funded IGERT: Clean Energy for Green Industry Fellowship (Grant DGE-0903720). The authors thank C.-C.C. for proofreading the manuscript. They also thank the California Nano Systems Institute for providing experimental facilities and technical support. The authors thank Jenna B. Howard and Prof. Barry Thompson at the Loker Hydrocarbon Research Institute and the Department of Chemistry at the University of Southern California for the size-exclusion chromatography (GPC) analysis. NR 68 TC 25 Z9 25 U1 6 U2 61 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD APR PY 2014 VL 4 IS 5 AR 1300739 DI 10.1002/aenm.201300739 PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AE1DT UT WOS:000333708100018 ER PT J AU Liu, F Zhao, W Tumbleston, JR Wang, C Gu, Y Wang, D Briseno, AL Ade, H Russell, TP AF Liu, Feng Zhao, Wei Tumbleston, John R. Wang, Cheng Gu, Yu Wang, Dong Briseno, Alejandro L. Ade, Harald Russell, Thomas P. TI Understanding the Morphology of PTB7: PCBM Blends in Organic Photovoltaics SO ADVANCED ENERGY MATERIALS LA English DT Article DE organic photovoltaics; structure-property relationships; morphology; low bandgap polymers; crystallization; diffusion ID POLYMER SOLAR-CELLS; POWER-CONVERSION EFFICIENCY; OPEN-CIRCUIT VOLTAGE; POLY(3-HEXYLTHIOPHENE); ADDITIVES; DIFFUSION AB The structure-property relationships of PTB7-phenyl-C-61-butyric acid methyl ester (PCBM)-based organic photovoltaics are investigated. The morphology is investigated in an active layer setting where a multi-length-scale morphology is observed using a solvent additive-assisted film processing. This multi-length-scale structure consists of a phase separated morphology with a characteristic length scale of approximate to 30 nm, which is critical for producing large currents in devices; a second length scale of approximate to 130 nm, arises from face-on PTB7 crystalline aggregates. This latter morphological feature is also observed in films prepared without the use of an additive. By observing the structure formation in situ during solvent evaporation for blade coated thin films, the additive is found to promote the formation of ordered domains of the PTB7 at an earlier stage during the solvent evaporation, which is critical in the development of the final morphology. In studies on PTB7/PCBM bilayers, PCBM is found to diffuse into the PTB7 layer. However, the performance of devices prepared in this manner is low. This diffusion leads to a swelling of the PTB7 and a reduction in the crystallinity of the PTB7, reflecting the strong miscibility of PCBM with PTB7. The morphology resulting from the interdiffusion is single-length-scale with slightly large phase separation. This leads to devices with poor performance. C1 [Liu, Feng; Zhao, Wei; Gu, Yu; Wang, Dong; Briseno, Alejandro L.; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Tumbleston, John R.; Ade, Harald] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. EM tom.p.russell@gmail.com RI Wang, Cheng/A-9815-2014; Wang, Dong/A-7863-2010; Liu, Feng/J-4361-2014 OI Liu, Feng/0000-0002-5572-8512 FU Polymer-Based Materials for Harvesting Solar Energy (PHaSE), an Energy Frontier Research Center; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001087]; DOE [DE-FG02-98ER45737]; DOE, Office of Science, and Office of Basic Energy Sciences FX This work was supported by Polymer-Based Materials for Harvesting Solar Energy (PHaSE), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under award number DE-SC0001087. STXM characterization and analysis by J.T. and H.A. was supported by DOE (DE-FG02-98ER45737). Portions of this research were carried out at beamline 11.0.1.2, 7.3.3, 5.3.2, at the Advanced Light Source, Lawrence Berkeley National Laboratory, which was supported by the DOE, Office of Science, and Office of Basic Energy Sciences. the authors thank T. Mates at University of California, Santa Barbara for performing the DSIMS experiments. The authors also thank A. Hexemer, E. Schaible, A.L.D Kilcoyne and A. Young at LBNL for assisting with the experiments. NR 30 TC 58 Z9 58 U1 10 U2 179 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD APR PY 2014 VL 4 IS 5 AR 1301377 DI 10.1002/aenm.201301377 PG 9 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AE1DT UT WOS:000333708100011 ER PT J AU Woo, JJ Zhang, ZC Amine, K AF Woo, Jung-Je Zhang, Zhengcheng Amine, Khalil TI Separator/Electrode Assembly Based on Thermally Stable Polymer for Safe Lithium-Ion Batteries SO ADVANCED ENERGY MATERIALS LA English DT Article DE separator; electrode assembly; thermal shrinkage; safety; lithium-ion batteries; electric vehicles ID SEPARATORS; CHALLENGES; COMPOSITE; MEMBRANE C1 [Woo, Jung-Je; Zhang, Zhengcheng; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zzhang@anl.gov FU US Department of Energy's Integrated Laboratory/Industry Research Project (ILIRP); [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy's Integrated Laboratory/Industry Research Project (ILIRP). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. NR 20 TC 11 Z9 11 U1 4 U2 61 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD APR PY 2014 VL 4 IS 5 AR 1301208 DI 10.1002/aenm.201301208 PG 4 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AE1DT UT WOS:000333708100015 ER PT J AU Yu, XQ Lyu, YC Gu, L Wu, HM Bak, SM Zhou, YN Amine, K Ehrlich, SN Li, H Nam, KW Yang, XQ AF Yu, Xiqian Lyu, Yingchun Gu, Lin Wu, Huiming Bak, Seong-Min Zhou, Yongning Amine, Khalil Ehrlich, Steven N. Li, Hong Nam, Kyung-Wan Yang, Xiao-Qing TI Understanding the Rate Capability of High-Energy-Density Li-Rich Layered Li 1.2 Ni 0.15 Co 0.1 Mn 0.55 O 2 Cathode Materials SO ADVANCED ENERGY MATERIALS LA English DT Article DE lithium-ion batteries; Li-rich materials; layered materials; cathodes; rate performance; kinetics ID LITHIUM-ION BATTERIES; RAY-ABSORPTION SPECTROSCOPY; SITU X-RAY; LOCAL-STRUCTURE; FINE-STRUCTURE; ELECTROCHEMICAL ACTIVITY; HIGH-VOLTAGE; ELECTRODES; LI2MNO3; MANGANESE AB The high-energy-density, Li-rich layered materials, i.e., xLiMO(2)(1-x)Li2MnO3, are promising candidate cathode materials for electric energy storage in plug-in hybrid electric vehicles (PHEVs) and electric vehicles (EVs). The relatively low rate capability is one of the major problems that need to be resolved for these materials. To gain insight into the key factors that limit the rate capability, in situ X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) studies of the cathode material, Li1.2Ni0.15Co0.1Mn0.55O2 [0.5Li(Ni0.375Co0.25 Mn-0.375)O(2)0.5Li(2)MnO(3)], are carried out. The partial capacity contributed by different structural components and transition metal elements is elucidated and correlated with local structure changes. The characteristic reaction kinetics for each element are identified using a novel time-resolved XAS technique. Direct experimental evidence is obtained showing that Mn sites have much poorer reaction kinetics both before and after the initial activation of Li2MnO3, compared to Ni and Co. These results indicate that Li2MnO3 may be the key component that limits the rate capability of Li-rich layered materials and provide guidance for designing Li-rich layered materials with the desired balance of energy density and rate capability for different applications. C1 [Yu, Xiqian; Bak, Seong-Min; Zhou, Yongning; Ehrlich, Steven N.; Nam, Kyung-Wan; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Lyu, Yingchun; Gu, Lin; Li, Hong] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Wu, Huiming; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Li, H (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. EM hli@iphy.ac.cn; knam@bnl.gov; xyang@bnl.gov RI Gu, Lin/D-9631-2011; Li, Hong/C-4643-2008; Zhou, Yong-Ning/I-9579-2014; Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015; Lyu, Yingchun/F-9893-2015; Yu, Xiqian/B-5574-2014; Bak, Seong Min/J-4597-2013; OI Gu, Lin/0000-0002-7504-031X; Li, Hong/0000-0002-8659-086X; Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Lyu, Yingchun/0000-0003-3229-1175; Yu, Xiqian/0000-0001-8513-518X; Bak, Seong-Min/0000-0002-1626-5949 FU U.S. Department of Energy; Assistant Secretary for Energy Efficiency and Renewable Energy; Office of Vehicle Technologies [DE-AC02-98CH10886, DE-AC02-06CH11357]; CAS Innovation project [KJCX2-YW-W26]; "973" project [2012CB932900] FX The authors thank Dr. Daniel Abraham at Argonne National Laboratory for providing the samples. This work was supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under Contract Number DE-AC02-98CH10886 for BNL and Contract No. DE-AC02-06CH11357 for ANL. This work at IOP, CAS was funded by CAS Innovation project (KJCX2-YW-W26) and "973" project (2012CB932900). The authors acknowledge technical support from the beamline scientists at X14A, X18A, X19A (NSLS, BNL) and 11-BM-B at APS (APS, ANL). NR 49 TC 86 Z9 87 U1 32 U2 378 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD APR PY 2014 VL 4 IS 5 AR 1300950 DI 10.1002/aenm.201300950 PG 11 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AE1DT UT WOS:000333708100012 ER PT J AU Finsterle, S Sonnenthal, EL AF Finsterle, Stefan Sonnenthal, Eric L. TI TOUGH Symposium 2012 Foreword SO COMPUTERS & GEOSCIENCES LA English DT Editorial Material C1 [Finsterle, Stefan; Sonnenthal, Eric L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Finsterle, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, One Cyclotron Rd,MS 74-120, Berkeley, CA 94720 USA. EM SAFinsterle@lbl.gov; ELSonnenthal@lbl.gov RI Sonnenthal, Eric/A-4336-2009; Finsterle, Stefan/A-8360-2009 OI Finsterle, Stefan/0000-0002-4446-9906 NR 0 TC 0 Z9 0 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 1 EP 1 DI 10.1016/j.cageo.2014.01.003 PG 1 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700001 ER PT J AU Finsterle, S Sonnenthal, EL Spycher, N AF Finsterle, Stefan Sonnenthal, Eric L. Spycher, Nicolas TI Advances in subsurface modeling using the TOUGH suite of simulators SO COMPUTERS & GEOSCIENCES LA English DT Article DE Numerical simulation; Coupled processes; Multiphase flow; Reactive transport; TOUGH ID REACTIVE GEOCHEMICAL TRANSPORT; SATURATED FRACTURED ROCKS; NONISOTHERMAL FLUID-FLOW; YUCCA MOUNTAIN; POROUS-MEDIA; CALCITE PRECIPITATION; ISOTOPE FRACTIONATION; RESERVOIR SIMULATION; ORGANIC CONTAMINANTS; GEOTHERMAL RESERVOIR AB The TOUGH suite of nonisothermal multiphase flow and transport simulators is continually updated to improve the analysis of complex subsurface processes through numerical modeling. Driven by research questions in the Earth sciences and by application needs in industry and government organizations, the codes are extended to include the coupling of relevant processes and subsystems, to improve computational performance, to support model development and analysis tasks, and to provide more convenient pre- and post-processing capabilities. This review paper briefly describes the history of the simulator, discusses recent advances, and comments on potential future developments and applications. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Finsterle, Stefan; Sonnenthal, Eric L.; Spycher, Nicolas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Finsterle, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, One Cyclotron Rd,MS 74-120, Berkeley, CA 94720 USA. EM SAFinsterle@lbl.gov; ELSonnenthal@lbl.gov; NSpycher@lbl.gov RI Sonnenthal, Eric/A-4336-2009; Finsterle, Stefan/A-8360-2009; Spycher, Nicolas/E-6899-2010 OI Finsterle, Stefan/0000-0002-4446-9906; FU U.S. Department of Energy [DE-AC02-05CH11231]; TOUGH Development Grant FX We would like to thank the three anonymous reviewers for their comments. This work was supported, in part, by the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. Individual enhancements to the TOUGH codes were sponsored my numerous DOE offices as well as collaborating institutions. Moreover, some developments were funded through the TOUGH Development Grant, which is supplied by the TOUGH developers, who donate their portion of the royalty income from TOUGH licenses to the Grant. NR 118 TC 10 Z9 10 U1 2 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 2 EP 12 DI 10.1016/j.cageo.2013.06.009 PG 11 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700002 ER PT J AU Asahina, D Houseworth, JE Birkholzer, JT Rutqvist, J Bolander, JE AF Asahina, D. Houseworth, J. E. Birkholzer, J. T. Rutqvist, J. Bolander, J. E. TI Hydro-mechanical model for wetting/drying and fracture development in geomaterials SO COMPUTERS & GEOSCIENCES LA English DT Article DE Coupled modeling; TOUGH2; Lattice models; Discrete fracture network; Desiccation cracking; Voronoi tessellation ID PARTICULATE MATERIALS; CO2 SEQUESTRATION; FLUID-FLOW; DESICCATION; CRACKING; ROCK; STRESS; SHRINKAGE; NETWORKS; GEOMETRY AB This paper presents a modeling approach for studying hydro-mechanical coupled processes, including fracture development, within geological formations. This is accomplished through the novel linking of two codes: TOUGH2, which is a widely used simulator of subsurface multiphase flow based on the finite volume method; and an implementation of the Rigid-Body-Spring Network (RBSN) method, which provides a discrete (lattice) representation of material elasticity and fracture development. The modeling approach is facilitated by a Voronoi-based discretization technique, capable of representing discrete fracture networks. The TOUGH-RBSN simulator is intended to predict fracture evolution, as well as mass transport through permeable media, under dynamically changing hydrologic and mechanical conditions. Numerical results are compared with those of two independent studies involving hydro-mechanical coupling: (1) numerical modeling of swelling stress development in bentonite; and (2) experimental study of desiccation cracking in a mining waste. The comparisons show good agreement with respect to moisture content, stress development with changes in pore pressure, and time to crack initiation. The observed relationship between material thickness and crack patterns (e.g., mean spacing of cracks) is captured by the proposed modeling approach. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Asahina, D.; Houseworth, J. E.; Birkholzer, J. T.; Rutqvist, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Bolander, J. E.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. RP Asahina, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, One Cyclotron Rd, Berkeley, CA 94720 USA. EM dasahina@lbl.gov RI Birkholzer, Jens/C-6783-2011; Rutqvist, Jonny/F-4957-2015; Houseworth, James/D-8749-2015 OI Birkholzer, Jens/0000-0002-7989-1912; Rutqvist, Jonny/0000-0002-7949-9785; FU Used Fuel Disposition Campaign, Office of Nuclear Energy, of the U.S. Department of Energy under Berkeley Lab [DE-AC02-05CH11231] FX The authors gratefully acknowledge Laura Blanco Martin and Daniel Hawkes at LBNL for their careful review of a draft manuscript. The experimental data of Rodriguez et al. (2007) are available from 2008 Canadian Science Publishing or its licensors and were reproduced with licensing permission from the National Research Council of Canada Research Press. Funding for this work was provided by the Used Fuel Disposition Campaign, Office of Nuclear Energy, of the U.S. Department of Energy under Contract number DE-AC02-05CH11231 with Berkeley Lab. NR 59 TC 8 Z9 8 U1 2 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 13 EP 23 DI 10.1016/j.cageo.2013.12.009 PG 11 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700003 ER PT J AU Pan, PZ Rutqvist, J Feng, XT Yan, F AF Pan, Peng-Zhi Rutqvist, Jonny Feng, Xia-Ting Yan, Fei TI TOUGH-RDCA modeling of multiple fracture interactions in caprock during CO2 injection into a deep brine aquifer SO COMPUTERS & GEOSCIENCES LA English DT Article DE RDCA; TOUGH2; Multiple fractures interaction; CO2 sequestration; Fracture propagation ID PLANE-STRAIN PROPAGATION; FLUID-DRIVEN FRACTURE; FINITE-ELEMENT-METHOD; HYDRAULIC FRACTURES; CELLULAR-AUTOMATON; SIMULATION; STORAGE; ROCKS; CODE; FLOW AB The interaction between multiple fractures (e.g., hydraulic fractures and pre-existing natural fractures) is important in the analysis of a number of geoengineering applications, such as in the evaluation of the stability and integrity of caprock during underground CO2 sequestration. Here, we present new developments and applications of a model for analyzing coupled multiphase fluid flow and geomechanical processes during fracturing involving multiple fractures and their interactions. Based on a numerical code, i.e., rock discontinuous cellular automaton (RDCA), we introduce a discontinuous displacement function for representing multiple discontinuities, and develop an algorithm to deal with a propagating fracture that interacts with other discontinuities. By applying multiphase fluid pressure to fracture surfaces, the RDCA has the ability to simulate multiphase fluid flow-driven fracturing. The RDCA technique incorporates the discontinuity of the crack independently of the mesh, such that the cracks can be arbitrarily located within an element. This method does not require any remeshing for multiple cracks growth, an aspect that greatly reduces the complexity and improves efficiency in modeling multiple-fracture propagation. The RDCA is integrated with the TOUGH2 multiphase flow and heat-transport simulator by a sequential coupling algorithm, using mixed FORTRAN and C+ + programming. The coupled TOUGH2 and RDCA code is applied to simulate the multiple fracture interaction in caprock induced by CO2 injection into a deep brine aquifer. The simulation results show hydraulic fracture trajectory, fracture aperture, and pressures as a function of injection time. Fluid flow (driven by CO2 injection) into natural fractures and their transition to hydraulic fractures is simulated. The injection pressure profile shows the complexity of the fracturing and its impact on CO2 migration and caprock integrity. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Pan, Peng-Zhi; Feng, Xia-Ting; Yan, Fei] Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China. [Pan, Peng-Zhi; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Pan, PZ (reprint author), Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China. EM panpz@163.com RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 FU National Natural Science Foundation of China [51322906, 41272349]; National Basic Research Program of China [2010CB732006]; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was finically supported by the National Natural Science Foundation of China under Grant nos. 51322906 and 41272349 and the National Basic Research Program of China under Grant no. 2010CB732006, and in part, supported by the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 41 TC 6 Z9 7 U1 3 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 24 EP 36 DI 10.1016/j.cageo.2013.09.005 PG 13 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700004 ER PT J AU Pan, LH Oldenburg, CM AF Pan, Lehua Oldenburg, Curtis M. TI T2Well-An integrated wellbore-reservoir simulator SO COMPUTERS & GEOSCIENCES LA English DT Article DE Numerical simulator; Coupled wellbore-reservoir flow; Multiphase; Multicomponents ID 2-PHASE FLOW; INJECTION; SYSTEMS; CARBON; SEQUESTRATION; PRESSURE; LEAKAGE; MODEL AB At its most basic level, management of subsurface fluid resources involves a system comprising the wellbore and the target reservoir. As discrete pathways through geologic formations, boreholes and wells are critical to the success of many water, energy, and environmental management operations. Although many stand-alone simulators for two-phase flow in wellbores with various levels of sophistication have been developed, simulating non-isothermal, multiphase, and multi-component flows in both the wellbore and in the porous or fractured media reservoir as an integrated system remains a challenging yet important task. The difficulties include (1) different governing equations apply to the wellbore and the reservoir that need to be solved efficiently in a uniform framework, (2) the significant contrast in temporal and spatial scales between the wellbore and the reservoir that results in a very challenging set of stiff partial differential equations, and (3) other complexities (e.g., dry-out) that can be caused by flow processes between the wellbore and the reservoir. To address the need to simulate coupled wellbore-reservoir flow, we have developed T2Well, a numerical simulator for non-isothermal, multiphase, and multi-component flows in the integrated wellbore-reservoir system. The new model extends the existing numerical reservoir simulator TOUGH2 to calculate the flow in both the wellbore and the reservoir simultaneously and efficiently by introducing a special wellbore sub-domain into the numerical grid. For grid blocks in the wellbore sub-domain, we solve the 1D momentum equation of the mixture (which may be two-phase) as described by the drift-flux model (DFM). A novel mixed implicit-explicit scheme for friction in the wellbore is applied to facilitate the solution of the momentum equation, while other variables are calculated fully implicitly. Applications of the new simulator to problems in various fields are presented to demonstrate its capabilities. Published by Elsevier Ltd. C1 [Pan, Lehua; Oldenburg, Curtis M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div 90 1116, Berkeley, CA 94720 USA. RP Pan, LH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div 90 1116, Berkeley, CA 94720 USA. EM lpan@lbl.gov; cmoldenburg@lbl.gov RI Oldenburg, Curtis/L-6219-2013; Pan, Lehua/G-2439-2015 OI Oldenburg, Curtis/0000-0002-0132-6016; FU CO2 Capture Project (CCP) of the Joint Industry Program (BP); National Risk Assessment Partnership (NRAP) through the National Energy Technology Laboratory; Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231] FX The authors also thank Christine Doughty (LBNL) for an internal review that helped to improve the paper. This work was supported, in part, by the CO2 Capture Project (CCP) of the Joint Industry Program (BP), by the National Risk Assessment Partnership (NRAP) through the Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, through the National Energy Technology Laboratory, and by Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract no. DE-AC02-05CH11231. NR 21 TC 16 Z9 16 U1 0 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 46 EP 55 DI 10.1016/j.cageo.2013.06.005 PG 10 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700006 ER PT J AU Moridis, GJ Freeman, CM AF Moridis, George J. Freeman, Craig M. TI The RealGas and RealGasH2O options of the TOUGH plus code for the simulation of coupled fluid and heat flow in tight/shale gas systems SO COMPUTERS & GEOSCIENCES LA English DT Article DE Numerical simulation; Fractured media; Multicomponent flow; Coupled flow and heat flow; Shale gas; Real gas mixture ID POROUS-MEDIA; RESERVOIR SYSTEMS; TIGHT GAS; EQUATION; DIFFUSION; BEHAVIOR; METHANE; STATE; MODEL; COAL AB We developed two new EOS additions to the TOUGH+ family of codes, the RealGasH2O and RealGas. The RealGasH2O EOS option describes the non-isothermal two-phase flow of water and a real gas mixture in gas reservoirs, with a particular focus in ultra-tight (such as tight-sand and shale gas) reservoirs. The gas mixture is treated as either a single-pseudo-component having a fixed composition, or as a multicomponent system composed of up to 9 individual real gases. The RealGas option has the same general capabilities, but does not include water, thus describing a single-phase, dry-gas system. In addition to the standard capabilities of all members of the TOUGH+ family of codes (fully-implicit, compositional simulators using both structured and unstructured grids), the capabilities of the two codes include coupled flow and thermal effects in porous and/or fractured media, real gas behavior, inertial (Klinkenberg) effects, full micro-flow treatment, Darcy and non-Darcy flow through the matrix and fractures of fractured media, single- and multi-component gas sorption onto the grains of the porous media following several isotherm options, discrete and fracture representation, complex matrix-fracture relationships, and porosity-permeability dependence on pressure changes. The two options allow the study of flow and transport of fluids and heat over a wide range of time frames and spatial scales not only in gas reservoirs, but also in problems of geologic storage of greenhouse gas mixtures, and of geothermal reservoirs with multi-component condensable (H2O and CH4) and non-condensable gas mixtures. The codes are verified against available analytical and semi-analytical solutions. Their capabilities are demonstrated in a series of problems of increasing complexity, ranging from isothermal flow in simpler 1D and 2D conventional gas reservoirs, to non-isothermal gas flow in 3D fractured shale gas reservoirs involving 4 types of fractures, micro-flow, non-Darcy flow and gas composition changes during production. Published by Elsevier Ltd. C1 [Moridis, George J.; Freeman, Craig M.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Freeman, Craig M.] Texas A&M Univ, Dept Petr Engn, College Stn, TX 77843 USA. RP Moridis, GJ (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM gjmoridis@lbl.gov; george.moridis@pe.tamu.edu FU U.S. Environmental Protection Agency [DW-89-92235901-C]; Research Partnership to Secure Energy for America (RPSEA) through the Ultra-Deepwater and Unconventional Natural Gas and Other Petroleum Resources Research and Development Program [08122-45] FX The research described in this article has been funded by the U.S. Environmental Protection Agency through Interagency Agreement (DW-89-92235901-C) to the Lawrence Berkeley National Laboratory, and by the Research Partnership to Secure Energy for America (RPSEA) - (Contract no. 08122-45) through the Ultra-Deepwater and Unconventional Natural Gas and Other Petroleum Resources Research and Development Program as authorized by the US Energy Policy Act (EPAct) of 2005. The views expressed in this article are those of the author(s) and do not necessarily reflect the views or policies of the EPA. NR 68 TC 13 Z9 13 U1 0 U2 43 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 56 EP 71 DI 10.1016/j.cageo.2013.09.010 PG 16 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700007 ER PT J AU Wainwright, HM Finsterle, S Jung, YJ Zhou, QL Birkholzer, JT AF Wainwright, Haruko M. Finsterle, Stefan Jung, Yoojin Zhou, Quanlin Birkholzer, Jens T. TI Making sense of global sensitivity analyses SO COMPUTERS & GEOSCIENCES LA English DT Article DE Global sensitivity analysis; Morris OAT method; Sobol index; Variance-based sensitivity indices ID MODELS; INDEXES AB This study presents improved understanding of sensitivity analysis methods through a comparison of the local sensitivity and two global sensitivity analysis methods: the Morris and Sobol'/Saltelli methods. We re-interpret the variance-based sensitivity indices from the Sobol'/Saltelli method as difference-based measures. It suggests that the difference-based local and Morris methods provide the effect of each parameter including its interaction with others, similar to the total sensitivity index from the Sobol '/Saltelli method. We also develop an alternative approximation method to efficiently compute the Sobol' index, using one-dimensional fitting of system responses from a Monte-Carlo simulation. For illustration, we conduct a sensitivity analysis of pressure propagation induced by fluid injection and leakage in a reservoir-aquitard-aquifer system. The results show that the three methods provide consistent parameter importance rankings in this system. Our study also reveals that the three methods can provide additional information to improve system understanding. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wainwright, Haruko M.; Finsterle, Stefan; Jung, Yoojin; Zhou, Quanlin; Birkholzer, Jens T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wainwright, HM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hmwainwright@lbl.gov RI Zhou, Quanlin/B-2455-2009; Finsterle, Stefan/A-8360-2009; Wainwright, Haruko/A-5670-2015; Birkholzer, Jens/C-6783-2011; Jung, Yoojin/G-2519-2015 OI Zhou, Quanlin/0000-0001-6780-7536; Finsterle, Stefan/0000-0002-4446-9906; Wainwright, Haruko/0000-0002-2140-6072; Birkholzer, Jens/0000-0002-7989-1912; FU National Energy Technology Laboratory, National Risk Assessment Partnership, of the US Department of Energy [DEAC02-05CH11231] FX This work was funded by the Assistant Secretary for Fossil Energy, National Energy Technology Laboratory, National Risk Assessment Partnership, of the US Department of Energy under Contract no. DEAC02-05CH11231. The authors wish to thank George Pau of Lawrence Berkeley National Laboratory for his technical review, and three anonymous reviewers for their constructive comments. NR 21 TC 41 Z9 42 U1 4 U2 36 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 84 EP 94 DI 10.1016/j.cageo.2013.06.006 PG 11 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700009 ER PT J AU Wellmann, JF Finsterle, S Croucher, A AF Wellmann, J. Florian Finsterle, Stefan Croucher, Adrian TI Integrating structural geological data into the inverse modelling framework of iTOUGH2 SO COMPUTERS & GEOSCIENCES LA English DT Article DE Uncertainty; Implicit geological modelling; Multiphase flow simulation; Sensitivity analysis; Parameter estimation; Monte Carlo ID INTERPOLATION; ZONE; PARAMETERIZATION; FIELD; ALPS AB The validity of subsurface flow simulations strongly depends on the accuracy of relevant rock property values and their distribution in space. In realistic simulations, this spatial distribution is based on two geological considerations: (1) the subsurface structural setting, and (2) smaller-scale heterogeneity within a hydrostratigraphic unit. Both aspects are subject to uncertainty, whereas techniques to address heterogeneity are well established, no general method exists to evaluate the influence of structural uncertainties. We present a method to include structural geological data (e.g. observations of geological contacts and faults) directly into an inversion framework, with the aim of enabling the inversion routine to adapt a full 3-D geological model with a set of geological parameters. In order to achieve this aim, we use a set of Python modules to combine several pre-existing codes into one workflow, to facilitate the consideration of a structural model in the typical model evaluation steps of sensitivity analysis, parameter estimation, and uncertainty propagation analysis. In a synthetic study, we then test the application of these three steps to analyse CO2 injection into an anticlinal structure with the potential of leakage through a fault zone. We consider several parts of the structural setting as uncertain, most importantly the position of the fault zone. We then evaluate (1) how sensitive CO2 arriving in several observation wells would be with respect to the geological parameters, (2) if it would be possible to determine the leak location from observations in shallow wells, and (3) how parametric uncertainty affects the expected CO2 leakage amount. In all these cases, our main focus is to consider the influence of the primary geological data on model outputs. We demonstrate that the integration of structural data into the iTOUGH2 framework enables the inversion routines to adapt the geological model, i.e. to re-generate the entire structural model based on changes in several sensitive geological parameters. Our workflow is a step towards a combined analysis of uncertainties not only in local heterogeneities but in the structural setting as well, for a more complete integration of geological knowledge into conceptual and numerical models. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wellmann, J. Florian] CSIRO Earth Sci & Resource Engn, Kensington, WA 6151, Australia. [Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Croucher, Adrian] Univ Auckland, Dept Engn Sci, Auckland, New Zealand. RP Wellmann, JF (reprint author), CSIRO Earth Sci & Resource Engn, 26 Dick Perry Ave, Kensington, WA 6151, Australia. EM florian.wellmann@graduate.uwa.edu.au RI Finsterle, Stefan/A-8360-2009; Wellmann, Florian/N-5041-2016 OI Finsterle, Stefan/0000-0002-4446-9906; Wellmann, Florian/0000-0003-2552-1876 FU CSIRO Office of the Chief Executive Post-Doctoral Fellowship scheme within the CSIRO Earth Science and Resource Engineering Division; U.S. Dept. of Energy [DE-AC02- 05CH11231] FX We would like to thank the three anonymous reviewers for their constructive comments. The first author is funded by a CSIRO Office of the Chief Executive Post-Doctoral Fellowship scheme within the CSIRO Earth Science and Resource Engineering Division. The work of the second author was supported, in part, by the U.S. Dept. of Energy under Contract no. DE-AC02- 05CH11231. Special thanks to Intrepid Geophysics Ltd. for providing an academic version of the software GeoModeller. NR 51 TC 6 Z9 6 U1 0 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 95 EP 109 DI 10.1016/j.cageo.2013.10.014 PG 15 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700010 ER PT J AU Pau, GSH Zhang, YQ Finsterle, S Wainwright, H Birkholzer, J AF Pau, George Shu Heng Zhang, Yingqi Finsterle, Stefan Wainwright, Haruko Birkholzer, Jens TI Reduced order modeling in iTOUGH2 SO COMPUTERS & GEOSCIENCES LA English DT Article DE Surrogate models; Radial basis function; Gaussian process regression; Hydrogeology; Uncertainty quantification ID APPROXIMATION CONCEPTS; SENSITIVITY-ANALYSIS; GLOBAL OPTIMIZATION; ENGINEERING DESIGN; GAUSSIAN-PROCESSES; INVERSE PROBLEMS; SCALE; SIMULATION; PERFORMANCE; REGRESSION AB The inverse modeling and uncertainty quantification capabilities of iTOUGH2 are augmented with reduced order models (ROMs) that act as efficient surrogates for computationally expensive high fidelity models (HFMs). The implementation of the ROM capabilities involves integration of three main computational components. The first component is the ROM itself. Two response surface approximations are currently implemented: Gaussian process regression (GPR) and radial basis function (RBF) interpolation. The second component is a multi-output adaptive sampling procedure that determines the sample points used to construct the ROMs. The third component involves defining appropriate error measures for the adaptive sampling procedure, allowing ROMs to be constructed efficiently with limited user intervention. Details in all three components must complement one another to obtain an accurate approximation. The new capability and its integration with other analysis tools within iTOUGH2 are demonstrated in two examples. The results from using the ROMs in an uncertainty quantification analysis and a global sensitivity analysis compare favorably with the results obtained using the HFMs. GPR is more accurate than RBF, but the difference can be small and similar conclusion can be deduced from the analyses. In the second example involving a realistic numerical model for a hypothetical industrial-scale carbon storage project in the Southern San Joaquin Basin, California, USA, significant reduction in computational effort can be achieved when ROMs are used to perform a rigorous global sensitivity analysis. Published by Elsevier Ltd. C1 [Pau, George Shu Heng; Zhang, Yingqi; Finsterle, Stefan; Wainwright, Haruko; Birkholzer, Jens] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Pau, GSH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd,Mail Stop 74-0120, Berkeley, CA 94720 USA. EM gpau@lbl.gov; yqzhang@lbl.gov; safinsterle@lbl.gov; hmwainwright@lbl.gov; jtbirkholzer@lbl.gov RI Finsterle, Stefan/A-8360-2009; Wainwright, Haruko/A-5670-2015; Birkholzer, Jens/C-6783-2011; Pau, George Shu Heng/F-2363-2015; Zhang, Yingqi/D-1203-2015 OI Finsterle, Stefan/0000-0002-4446-9906; Wainwright, Haruko/0000-0002-2140-6072; Birkholzer, Jens/0000-0002-7989-1912; Pau, George Shu Heng/0000-0002-9198-6164; FU Office of Sequestration, Hydrogen, and Clean Coal Fuels, of the U.S. Department of Energy [DE-AC02-05CH11231]; TOUGH2 development grant FX We would like to thank the editor and three anonymous reviewers for their constructive comments. This work was conducted as part of Berkeley Lab's National Risk Assessment Partnership (NRAP) effort, supported by the Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, of the U.S. Department of Energy, under Contract no. DE-AC02-05CH11231 and the TOUGH2 development grant. NR 42 TC 5 Z9 5 U1 0 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 118 EP 126 DI 10.1016/j.cageo.2013.08.008 PG 9 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700012 ER PT J AU Commer, M Kowalsky, MB Doetsch, J Newman, GA Finsterle, S AF Commer, Michael Kowalsky, Michael B. Doetsch, Joseph Newman, Gregory A. Finsterle, Stefan TI MPiTOUGH2: A parallel parameter estimation framework for hydrological and hydrogeophysical applications SO COMPUTERS & GEOSCIENCES LA English DT Article DE Hydrogeophysics; Joint inversion; Parallel computing; Gauss-Newton optimization; CO2 sequestration ID INDUCED-POLARIZATION; INVERSION; RESISTIVITY AB We present a parallel joint hydrogeophysical parameter estimation framework specifically relevant for a class of inverse modeling applications where a large number of simulations of multi-phase, multicomponent flow and transport through porous media impose exceedingly large computing demands. A modified Levenberg-Marquardt minimization algorithm provides for a robust and efficient calibration of complex models. The optimization framework is based on the parameter estimation and uncertainty analysis tool iTOUGH2, which we have parallelized using the Message Passing Interface in order to address the main computational burden of assessing parameter sensitivities. An underlying layer of hydrological and geophysical forward simulation operators use domain decomposition and parallel iterative Krylov solver techniques. The geophysical forward simulation operators originate from parallel algorithms for electrical and electromagnetic data types that have proven successful in solving large-scale imaging problems arising in geothermal as well as oil and gas exploration applications. We have pursued a consequent merge of the hydrological optimization framework with the geophysical component in order to maximize the efficiencies of the Message Passing Interface. The method offers new possibilities by combining hydrological data with geophysical measurements that involve, for example, time-harmonic electromagnetic fields. We first show improved model resolution capabilities on a synthetic joint inversion example where controlled-source electromagnetic observations are combined with hydrological data simulated from a conservative tracer injection experiment. Next, the method is applied to a 3-D joint inversion of field data from a CO2 injection experiment, where the required multiphase, multi-component flow and transport simulations are highly computationally demanding. Overall improved data fits are achieved for both CO2 gas mole fractions and observed relative changes in electrical conductivity derived from geophysical measurements. 2013 Elsevier Ltd. All rights reserved. C1 [Commer, Michael; Kowalsky, Michael B.; Doetsch, Joseph; Newman, Gregory A.; Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Doetsch, Joseph] Aarhus Univ, Dept Geosci, Aarhus, Denmark. RP Commer, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd,Mail Stop 74R0120, Berkeley, CA 94720 USA. EM MCommer@lbl.gov RI Finsterle, Stefan/A-8360-2009; Newman, Gregory/G-2813-2015; Doetsch, Joseph/A-9438-2008; Commer, Michael/G-3350-2015 OI Finsterle, Stefan/0000-0002-4446-9906; Doetsch, Joseph/0000-0002-2927-9557; Commer, Michael/0000-0003-0015-9217 FU LBNL Laboratory Directed Research and Development program; National Risk Assessment Partnership (NRAP); American Recovery and Reinvestment Act, of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by a LBNL Laboratory Directed Research and Development program and by the National Risk Assessment Partnership (NRAP), with funding from the American Recovery and Reinvestment Act, of the US Department of Energy under Award Number DE-AC02-05CH11231 to Lawrence Berkeley National Laboratory. The authors thank Ken Williams (LBNL) for helpful discussions related to the first example considered in this study. In addition, for providing data for the second example, the authors would like to thank all the members of the Cranfield SECARB team, including Charles Carrigan (LLNL) and Douglas LaBrecque (MPT) for the ERT data, and Barry Freifeld and Paul Cook (LBNL) for the U-tube design and others at the Texas Bureau of Economic Geology and Gulf Coast Carbon Center for U-tube data collection. The constructive comments by three anonymous reviewers are greatly appreciated. NR 39 TC 9 Z9 9 U1 2 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2014 VL 65 SI SI BP 127 EP 135 DI 10.1016/j.cageo.2013.06.011 PG 9 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AE5CP UT WOS:000334005700013 ER PT J AU Park, P Khadilkar, H Balakrishnan, H Tomlin, C AF Park, Pangun Khadilkar, Harshad Balakrishnan, Hamsa Tomlin, Claire TI Hybrid Communication Protocols and Control Algorithms for NextGen Aircraft Arrivals SO IEEE TRANSACTIONS ON INTELLIGENT TRANSPORTATION SYSTEMS LA English DT Article DE Automatic dependent surveillance-broadcast (ADS-B); conflict detection and resolution; hybrid communication and control; Next Generation Air Transportation System (NextGen) ID AIR-TRAFFIC MANAGEMENT; CONFLICT-RESOLUTION; RADIO NETWORKS; FREE-FLIGHT; AVOIDANCE; SYSTEMS; FLOWS AB Capacity constraints imposed by current air traffic management technologies and protocols could severely limit the performance of the Next Generation Air Transportation System (NextGen). A fundamental design decision in the development of this system is the level of decentralization that balances system safety and efficiency. A new surveillance technology called automatic dependent surveillance-broadcast (ADS-B) can be potentially used to shift air traffic control to amore distributed architecture; however, channel variations and interference with existing secondary radar replies can affect ADS-B systems. This paper presents a framework for managing arrivals at an airport by using a hybrid centralized/distributed algorithm for communication and control. The algorithm combines the centralized control that is used in congested regions with the distributed control that is used in lower traffic density regions. The hybrid algorithm is evaluated through realistic simulations of operations around a major airport. The proposed strategy is shown to significantly improve air traffic control performance under various operating conditions by adapting to the underlying communication, navigation, and surveillance systems. The performance of the proposed strategy is found to be comparable to fully centralized strategies, despite requiring significantly less ground infrastructure. C1 [Park, Pangun; Tomlin, Claire] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Coll Engn, Berkeley, CA 94720 USA. [Khadilkar, Harshad; Balakrishnan, Hamsa] MIT, Dept Aeronaut & Astronaut, Cambridge, MA 02139 USA. [Tomlin, Claire] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Park, P (reprint author), Elect & Telecommun Res Inst, Informat Technol Convergence Technol Res Lab, Taejon 305700, South Korea. EM pgpark@etri.re.kr; harshadk@mit.edu; hamsa@mit.edu; tomlin@eecs.berkeley.edu FU National Science Foundation through the Cyber-Physical Systems: ActionWebs [CNS-931843]; Office of Naval Research through the Multidisciplinary University Research Initiatives (MURIs) Research Programs of the Heterogeneous Unmanned Networked Teams [N0014-08-0696]; Singapore-Massachusetts Institute of Technology Alliance for Research and Technology (SMART) [N00014-09-1-1051, N00014-12-1-0609]; Air Force Office of Scientific Research through the Control of Heterogeneous Autonomous Sensors for Situational Awareness (CHASE) MURI Program [FA9550-10-1-0567] FX Manuscript received February 26, 2013; revised July 22, 2013; accepted October 2, 2013. Date of publication October 22, 2013; date of current version March 28, 2014. This work was supported in part by the National Science Foundation through the Cyber-Physical Systems: ActionWebs under Grant CNS-931843; by the Office of Naval Research through the Multidisciplinary University Research Initiatives (MURIs) Research Programs of the Heterogeneous Unmanned Networked Teams under Grant N0014-08-0696 and the Singapore-Massachusetts Institute of Technology Alliance for Research and Technology (SMART) under Grant N00014-09-1-1051, and under Grant N00014-12-1-0609; and by the Air Force Office of Scientific Research through the Control of Heterogeneous Autonomous Sensors for Situational Awareness (CHASE) MURI Program under Grant FA9550-10-1-0567. The Associate Editor for this paper was J.-P.B. Clarke. NR 38 TC 2 Z9 2 U1 2 U2 17 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1524-9050 EI 1558-0016 J9 IEEE T INTELL TRANSP JI IEEE Trans. Intell. Transp. Syst. PD APR PY 2014 VL 15 IS 2 BP 615 EP 626 DI 10.1109/TITS.2013.2285116 PG 12 WC Engineering, Civil; Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA AF3AW UT WOS:000334584800014 ER PT J AU Johnson, BM AF Johnson, B. M. TI Closed-form shock solutions SO JOURNAL OF FLUID MECHANICS LA English DT Article DE compressible flows; Navier-Stokes equations; shock waves AB It is shown here that a subset of the implicit analytical shock solutions discovered by Becker and by Johnson can be inverted, yielding several exact closed-form solutions of the one-dimensional compressible Navier-Stokes equations for an ideal gas. For a constant dynamic viscosity and thermal conductivity, and at particular values of the shock Mach number, the velocity can be expressed in terms of a polynomial root. For a constant kinematic viscosity, independent of Mach number, the velocity can be expressed in terms of a hyperbolic tangent function. The remaining fluid variables are related to the velocity through simple algebraic expressions. The solutions derived here make excellent verification tests for numerical algorithms, since no source terms in the evolution equations are approximated, and the closed-form expressions are straightforward to implement. The solutions are also of some academic interest as they may provide insight into the nonlinear character of the Navier-Stokes equations and may stimulate further analytical developments. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Johnson, BM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM johnson359@llnl.gov FU Lawrence Livermore National Security, LLC [DE-AC52-07NA27344] FX I thank the referees for their comments. This work was performed under the auspices of Lawrence Livermore National Security, LLC, under contract no. DE-AC52-07NA27344. NR 9 TC 3 Z9 3 U1 0 U2 12 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD APR PY 2014 VL 745 AR R1 DI 10.1017/jfm.2014.107 PG 11 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AE3VY UT WOS:000333907700001 ER PT J AU McNutt, NW Wang, Q Rios, O Keffer, DJ AF McNutt, N. W. Wang, Q. Rios, O. Keffer, D. J. TI Entropy-driven structure and dynamics in carbon nanocrystallites SO JOURNAL OF NANOPARTICLE RESEARCH LA English DT Article ID MOLECULAR-DYNAMICS; SINGLE-LAYER; GRAPHITE; GRAPHENE; SIMULATION; BATTERIES; INTERCALATION; HYDROCARBONS; INTERFACES; PYROLYSIS AB New carbon composite materials are being developed that contain carbon nanocrystallites in the range of 5-17 in radius dispersed within an amorphous carbon matrix. Evaluating the applicability of these materials for use in battery electrodes requires a molecular-level understanding of the thermodynamic, structural, and dynamic properties of the nanocrystallites. Herein, molecular dynamics simulations reveal the molecular-level mechanisms for such experimental observations as the increased spacing between carbon planes in nanocrystallites as a function of decreasing crystallite size. As the width of this spacing impacts Li-ion capacity, an explanation of the origin of this distance is relevant to understanding anode performance. It is thus shown that the structural configuration of these crystallites is a function of entropy. The magnitude of out-of-plane ripples, binding energy between layers, and frequency of characteristic planar modes are reported over a range of nanocrystallite sizes and temperatures. This fundamental information for layered carbon nanocrystallites may be used to explain enhanced lithium ion diffusion within the carbon composites. C1 [McNutt, N. W.; Wang, Q.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Rios, O.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. [Keffer, D. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Keffer, DJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM dkeffer@utk.edu RI Rios, Orlando/E-6856-2017 OI Rios, Orlando/0000-0002-1814-7815 FU Joint Directed Research and Development program (JDRD) of the University of Tennessee Science Alliance; Oak Ridge Associated Universities High Performance Computing Program; Sustainable Energy Education and Research Center of the University of Tennessee; NSF [OCI 07-11134.5]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory FX Q. W. was supported by the Joint Directed Research and Development program (JDRD) of the University of Tennessee Science Alliance. N.M. was supported by a grant from the Oak Ridge Associated Universities High Performance Computing Program and by a grant from the Sustainable Energy Education and Research Center of the University of Tennessee. This research project used resources of the National Institute for Computational Sciences (NICS) supported by NSF under agreement number: OCI 07-11134.5. This research was also sponsored in part 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. We thank Dr. Don Nicholson for invaluable advice during the preparation of this manuscript. NR 45 TC 1 Z9 1 U1 2 U2 19 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 APR 1 PY 2014 VL 16 IS 4 DI 10.1007/s11051-014-2365-7 PG 13 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AE7HX UT WOS:000334169200001 ER PT J AU Fowler, JS AF Fowler, Joanna S. TI Brookhaven Names Fowler as Scientist Emeritus SO JOURNAL OF NUCLEAR MEDICINE LA English DT Editorial Material C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Fowler, JS (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD APR PY 2014 VL 55 IS 4 BP 13N EP 13N PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AE3XB UT WOS:000333910600005 ER PT J AU Yung, MMC Ma, JC Salemi, MR Phinney, BS Bowman, GR Jiao, YQ AF Yung, Mimi C. Ma, Jincai Salemi, Michelle R. Phinney, Brett S. Bowman, Grant R. Jiao, Yongqin TI Shotgun Proteomic Analysis Unveils Survival and Detoxification Strategies by Caulobacter crescentus during Exposure to Uranium, Chromium, and Cadmium SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE bacterial proteome; heavy metal resistance; uranium; chromium; cadmium; cell cycle ID SHEWANELLA-ONEIDENSIS MR-1; ACUTE CHROMATE CHALLENGE; IRON-SULFUR CLUSTERS; ESCHERICHIA-COLI; HEAVY-METAL; OXIDATIVE STRESS; CELL-CYCLE; RESPONSES; PROTEINS; RESISTANCE AB The ubiquitous bacterium Caulobacter crescentus holds promise to be used in bioremediation applications due to its ability to mineralize U(VI) under aerobic conditions. Here, cell free extracts of C. crescentus grown in the presence of uranyl nitrate [U(VI)], potassium chromate [Cr(VI)], or cadmium sulfate [Cd(II)] were used for label-free proteomic analysis. Proteins involved in two-component signaling and amino acid metabolism were up-regulated in response to all three metals, and proteins involved in aerobic oxidative phosphorylation and chemotaxis were down-regulated under these conditions. Clustering analysis of proteomic enrichment revealed that the three metals also induce distinct patterns of up- or down-regulated expression among different functional classes of proteins. Under U(VI) exposure, a phytase enzyme and an ABC transporter were up-regulated. Heat shock and outer membrane responses were found associated with Cr(VI), while efflux pumps and oxidative stress proteins were up-regulated with Cd(II). Experimental validations were performed on select proteins. We found that a phytase plays a role in U(VI) and Cr(VI) resistance and detoxification and that a Cd(II)-specific transporter confers Cd(II) resistance. Interestingly, analysis of promoter regions in genes associated with differentially expressed proteins suggests that U(VI) exposure affects cell cycle progression. C1 [Yung, Mimi C.; Ma, Jincai; Jiao, Yongqin] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Salemi, Michelle R.; Phinney, Brett S.] Univ Calif Davis, UC Davis Genome Ctr Protecnn Core Facil, Davis, CA 95616 USA. [Bowman, Grant R.] Univ Wyoming, Dept Mol Biol, Laramie, WY 82071 USA. RP Jiao, YQ (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM jiao1@llnl.gov RI Ma, Jincai/D-1290-2013; Phinney, Brett/S-6404-2016; OI Ma, Jincai/0000-0002-0792-0251; Phinney, Brett/0000-0003-3870-3302; Yung, Mimi/0000-0003-0534-0728 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344 (LLNL-JRNL-642506)]; Department of Energy Early Career Research Program award from the Office of Biological and Environmental Sciences FX We thank Nathan Hillson for generously providing the CC_1295 mutant strain. We thank Rong Jiang for assistance in statistical analysis. We thank Monica Borucki and Nick Be for qRT-PCR instrumentation and advice. We thank Dan Park for critical review of this manuscript. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL-JRNL-642506). This study was supported by a Department of Energy Early Career Research Program award from the Office of Biological and Environmental Sciences (to Y.J.). NR 68 TC 11 Z9 11 U1 0 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD APR PY 2014 VL 13 IS 4 BP 1833 EP 1847 DI 10.1021/pr400880s PG 15 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AE5GS UT WOS:000334016400006 PM 24555639 ER PT J AU Depuydt, G Xie, F Petyuk, VA Smolders, A Brewer, HM Camp, DG Smith, RD Braeckman, BP AF Depuydt, Geert Xie, Fang Petyuk, Vladislav A. Smolders, Arne Brewer, Heather M. Camp, David G., II Smith, Richard D. Braeckman, Bart P. TI LC-MS Proteomics Analysis of the Insulin/IGF-1-Deficient Caenorhabditis elegans daf-2(e1370) Mutant Reveals Extensive Restructuring of Intermediary Metabolism SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE Caenorhabditis elegans; gene expression; mass spectrometry; metabolism; physiology; aging ID NEMATODE CAENORHABDITIS-ELEGANS; METHYLMALONYL-COA EPIMERASE; PYRUVATE-KINASE ACTIVITY; LIVED DAF-2 MUTANTS; ATP-CITRATE LYASE; LARGE GENE LISTS; C-ELEGANS; LIFE-SPAN; DAUER LARVA; INSULIN-RESISTANCE AB The insulin/IGF-1 receptor is a major known determinant of dauer formation, stress resistance, longevity, and metabolism in Caenorhabditis elegans. In the past, whole-genome transcript profiling was used extensively to study differential gene expression in response to reduced insulin/IGF-1 signaling, including the expression levels of metabolism-associated genes. Taking advantage of the recent developments in quantitative liquid chromatography mass spectrometry (LC-MS)-based proteomics, we profiled the proteomic changes that occur in response to activation of the DAF-16 transcription factor in the germline-less glp-4(bn2);daf-2(e1370) receptor mutant. Strikingly, the daf-2 profile suggests extensive reorganization of intermediary metabolism, characterized by the upregulation of many core intermediary metabolic pathways. These include glycolysis/gluconeogenesis, glycogenesis, pentose phosphate cycle, citric acid cycle, glyoxylate shunt, fatty acid beta-oxidation, one-carbon metabolism, propionate and tyrosine catabolism, and complexes I, II, III, and V of the electron transport chain. Interestingly, we found simultaneous activation of reciprocally regulated metabolic pathways, which is indicative of spatiotemporal coordination of energy metabolism and/or extensive post-translational regulation of these enzymes. This restructuring of daf-2 metabolism is reminiscent to that of hypometabolic dauers, allowing the efficient and economical utilization of internal nutrient reserves and possibly also shunting metabolites through alternative energy-generating pathways to sustain longevity. C1 [Depuydt, Geert; Smolders, Arne; Braeckman, Bart P.] Univ Ghent, Dept Biol, B-9000 Ghent, Belgium. [Xie, Fang; Petyuk, Vladislav A.; Brewer, Heather M.; Camp, David G., II; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Xie, Fang; Petyuk, Vladislav A.; Brewer, Heather M.; Camp, David G., II; Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Braeckman, BP (reprint author), Univ Ghent, Dept Biol, Proeftuinstr 86 N1, B-9000 Ghent, Belgium. EM Bart.Braeckman@UGent.be RI Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Smolders, Arne/0000-0003-0926-2392; Petyuk, Vladislav/0000-0003-4076-151X FU Fund for Scientific Research Flanders [G.04371.0N]; NIH National Center for Research Resources [RR18522]; BOF project of Ghent University [01J04208]; DOE [DE-AC05-76RL01830] FX The strains GA154 glp-4(bn2ts)1;daf-2(e1370)III and GA153 glp-4(bn2ts)I daf-16(mgDf50)1;daf-2(e1370)111 were kindly provided by David Gems. We are grateful to Renata Coopman for her assistance in culturing and sampling worm cohorts. We thank Ineke Dhondt and Myriam Claeys for providing transmission electron microcopy images, Caroline Vlaeminck for oil red 0 staining, and Patricia Back for assistance with image processing of stained nematodes. We thank all members of the Braeckman lab for helpful discussions and comments on the manuscript and David Gems for critical reading of the manuscript. This work was supported by a grant from the Fund for Scientific Research Flanders (G.04371.0N to B.P.B.) and the NIH National Center for Research Resources (RR18522 to R.D.S.). G.D. was supported by a BOF project of Ghent University (01J04208). Proteomic analyses were performed in the Environmental Molecular Sciences Laboratory, a U.S. Department of Energy (DOE) national scientific user facility located at the Pacific Northwest National Laboratory (PNNL) in Richland, Washington. PNNL is a multiprogram national laboratory operated by Battelle for the DOE under contract DE-AC05-76RL01830. NR 158 TC 12 Z9 13 U1 2 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD APR PY 2014 VL 13 IS 4 BP 1938 EP 1956 DI 10.1021/pr401081b PG 19 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AE5GS UT WOS:000334016400016 PM 24555535 ER PT J AU Amidan, BG Orton, DJ LaMarche, BL Monroe, ME Moore, RJ Venzin, AM Smith, RD Sego, LH Tardiff, MF Payne, SH AF Amidan, Brett G. Orton, Daniel J. LaMarche, Brian L. Monroe, Matthew E. Moore, Ronald J. Venzin, Alexander M. Smith, Richard D. Sego, Landon H. Tardiff, Mark F. Payne, Samuel H. TI Signatures for Mass Spectrometry Data Quality SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE mass spectrometry; liquid chromatography; quality control ID GENOME-WIDE ASSOCIATION; PERFORMANCE METRICS; PROTEOMICS; LASSO AB Ensuring data quality and proper instrument functionality is a prerequisite for scientific investigation. Manual quality assurance is time-consuming and subjective. Metrics for describing liquid chromatography mass spectrometry (LC-MS) data have been developed; however, the wide variety of LC-MS instruments and configurations precludes applying a simple cutoff. Using 1150 manually classified quality control (QC) data sets, we trained logistic regression classification models to predict whether a data set is in or out of control. Model parameters were optimized by minimizing a loss function that accounts for the trade-off between false positive and false negative errors. The classifier models detected bad data sets with high sensitivity while maintaining high specificity. Moreover, the composite classifier was dramatically more specific than single metrics. Finally, we evaluated the performance of the classifier on a separate validation set where it performed comparably to the results for the testing/training data sets. By presenting the methods and software used to create the classifier, other groups can create a classifier for their specific QC regimen, which is highly variable lab-to-lab. In total, this manuscript presents 3400 LC-MS data sets for the same QC sample (whole cell lysate of Shewanella oneidensis), deposited to the ProteomeXchange with identifiers PXD000320-PXD000324. C1 [Amidan, Brett G.; Orton, Daniel J.; LaMarche, Brian L.; Monroe, Matthew E.; Moore, Ronald J.; Venzin, Alexander M.; Smith, Richard D.; Sego, Landon H.; Tardiff, Mark F.; Payne, Samuel H.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Payne, SH (reprint author), 902 Battelle Blvd K8-98, Richland, WA 99354 USA. EM Samuel.payne@pnnl.gov RI Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Payne, Samuel/0000-0002-8351-1994 FU Signature Discovery Initiative at Pacific Northwest National Laboratory; National Cancer Institute Clinical Proteomic Tumor Analysis Consortium (CPTAC) [U24-CA-160019]; National Institutes of Health: the National Institute of General Medical Sciences [P41 GM103493]; National Institute of Allergy and Infectious Diseases [Y1-A1-8401]; Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-Omics project; U.S. Department of Energy Early Career award; DOE [DE-AC05-76RLO01830] FX Portions of the research described in this paper were funded by the Signature Discovery Initiative (http://signatures.pnnl.gov) at Pacific Northwest National Laboratory, conducted under the Laboratory Directed Research and Development Program at PNNL. Portions of this work were supported by a grant (U24-CA-160019) from the National Cancer Institute Clinical Proteomic Tumor Analysis Consortium (CPTAC). Portions of this research were supported by the National Institutes of Health: the National Institute of General Medical Sciences (P41 GM103493), National Institute of Allergy and Infectious Diseases (Y1-A1-8401), and the Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-Omics project. S.H.P. acknowledges funding from a U.S. Department of Energy Early Career award. Mass spectrometry datasets were collected in the Environmental Molecular Science Laboratory, a U.S. Department of Energy (DOE) national scientific user facility at Pacific Northwest National Laboratory (PNNL) in Richland, WA. Battelle operates PNNL for the DOE under contract DE-AC05-76RLO01830. NR 16 TC 3 Z9 3 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD APR PY 2014 VL 13 IS 4 BP 2215 EP 2222 DI 10.1021/pr401143e PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AE5GS UT WOS:000334016400038 PM 24611607 ER PT J AU Nelson, AT Crum, JV Tang, M AF Nelson, Andrew T. Crum, Jarrod V. Tang, Ming TI Thermophysical Properties of Multiphase Borosilicate Glass- Ceramic Waste Forms SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID THERMAL-CONDUCTIVITY; HEAT-CAPACITY; PRESSURE; SILICATE AB Multiphase borosilicate glass-ceramics represent one candidate to contain radioactive nuclear waste separated from used nuclear fuel. In this work, the thermophysical properties from room temperature to 1273K were investigated for four different borosilicate glass-ceramic compositions containing waste loadings from 42 to 60wt% to determine the sensitivity of these properties to waste loading, as-fabricated microstructure, and potential evolutions in microstructure brought about by temperature transients. The thermal expansion, specific heat capacity, thermal diffusivity, and thermal conductivity are presented. The impact of increasing waste loading is shown to have a small but measurable effect on the thermophysical properties between the four compositions, contrasted to a much greater impact observed when transitioning from predominantly crystalline to amorphous systems. Thermal cycling below 1273K was not found to measurably impact the thermophysical properties of the compositions investigated here. C1 [Nelson, Andrew T.; Tang, Ming] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Crum, Jarrod V.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Nelson, AT (reprint author), Los Alamos Natl Lab, POB 1667, Los Alamos, NM 87545 USA. EM atnelson@lanl.gov OI Nelson, Andrew/0000-0002-4071-3502 FU U.S. Department of Energy, Office of Nuclear Energy Fuel Cycle Research and Development program FX The support of the U.S. Department of Energy, Office of Nuclear Energy Fuel Cycle Research and Development program is gratefully acknowledged. NR 24 TC 4 Z9 4 U1 2 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD APR PY 2014 VL 97 IS 4 BP 1177 EP 1186 DI 10.1111/jace.12792 PG 10 WC Materials Science, Ceramics SC Materials Science GA AD8YB UT WOS:000333550500029 ER PT J AU Ross, JS Klement, P Jones, AM Ghimire, NJ Yan, JQ Mandrus, DG Taniguchi, T Watanabe, K Kitamura, K Yao, W Cobden, DH Xu, XD AF Ross, Jason S. Klement, Philip Jones, Aaron M. Ghimire, Nirmal J. Yan, Jiaqiang Mandrus, D. G. Taniguchi, Takashi Watanabe, Kenji Kitamura, Kenji Yao, Wang Cobden, David H. Xu, Xiaodong TI Electrically tunable excitonic light-emitting diodes based on monolayer WSe2 p-n junctions SO NATURE NANOTECHNOLOGY LA English DT Article ID SINGLE-LAYER MOS2; VALLEY POLARIZATION; CARBON NANOTUBES; EMISSION; CRYSTALS; DRIVEN AB The development of light-emitting diodes with improved efficiency, spectral properties, compactness and integrability is important for lighting, display, optical interconnect, logic and sensor applications(1-8). Monolayer transition-metal dichal-cogenides have recently emerged as interesting candidates for optoelectronic applications due to their unique optical properties(9-16). Electroluminescence has already been observed from monolayer MoS2 devices(17,18). However, the electroluminescence efficiency was low and the linewidth broad due both to the poor optical quality of the MoS2 and to ineffective contacts. Here, we report electroluminescence from lateral p-n junctions in monolayer WSe2 induced electrostatically using a thin boron nitride support as a dielectric layer with multiple metal gates beneath. This structure allows effective injection of electrons and holes, and, combined with the high optical quality of WSe2, yields bright electroluminescence with 1,000 times smaller injection current and 10 times smaller linewidth than in MoS2 (refs 17,18). Furthermore, by increasing the injection bias we can tune the electroluminescence between regimes of impur-ity- bound, charged and neutral excitons. This system has the required ingredients for new types of optoelectronic device, such as spin-and valley-polarized light-emitting diodes, on-chip lasers and two-dimensional electro-optic modulators. C1 [Ross, Jason S.; Xu, Xiaodong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Klement, Philip; Cobden, David H.; Xu, Xiaodong] Univ Giessen, Dept Phys, D-35392 Giessen, Germany. [Klement, Philip; Jones, Aaron M.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Ghimire, Nirmal J.; Mandrus, D. G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ghimire, Nirmal J.; Yan, Jiaqiang; Mandrus, D. G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Yan, Jiaqiang; Mandrus, D. G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Taniguchi, Takashi; Watanabe, Kenji; Kitamura, Kenji] Natl Inst Mat Sci, Adv Mat Lab, Tsukuba, Ibaraki 3050044, Japan. [Yao, Wang] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. [Yao, Wang] Univ Hong Kong, Ctr Theoret & Computat Phys, Hong Kong, Hong Kong, Peoples R China. RP Ross, JS (reprint author), Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. EM xuxd@uw.edu RI Mandrus, David/H-3090-2014; Yao, Wang/C-1353-2008; TANIGUCHI, Takashi/H-2718-2011; WATANABE, Kenji/H-2825-2011; OI Yao, Wang/0000-0003-2883-4528; WATANABE, Kenji/0000-0003-3701-8119; Jones, Aaron/0000-0002-8326-1294 FU US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division [DE-SC0008145]; US DoE, BES, Materials Sciences and Engineering Division; Research Grant Council of Hong Kong [HKU705513P]; University Grant Committee of the government of Hong Kong [AoE/P-04/08]; Croucher Foundation under the Croucher Innovation Award; US DoE, BES, Materials Sciences and Engineering Division [DE-SC0002197]; National Science Foundation FX This work was mainly supported by the US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (DE-SC0008145). N.G., J.Y. and D. M. are supported by the US DoE, BES, Materials Sciences and Engineering Division. W.Y. is supported by the Research Grant Council of Hong Kong (HKU705513P), the University Grant Committee (AoE/P-04/08) of the government of Hong Kong and the Croucher Foundation under the Croucher Innovation Award. D. C. is supported by the US DoE, BES, Materials Sciences and Engineering Division (DE-SC0002197). Device fabrication was performed at the Washington Nanofabrication Facility and National Science Foundation-funded Nanotech User Facility. NR 34 TC 361 Z9 361 U1 76 U2 537 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD APR PY 2014 VL 9 IS 4 BP 268 EP 272 DI 10.1038/NNANO.2014.26 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AE5ZV UT WOS:000334068800011 PM 24608230 ER PT J AU Gargas, DJ Chan, EM Ostrowski, AD Aloni, S Altoe, MVP Barnard, ES Sanii, B Urban, JJ Milliron, DJ Cohen, BE Schuck, PJ AF Gargas, Daniel J. Chan, Emory M. Ostrowski, Alexis D. Aloni, Shaul Altoe, M. Virginia P. Barnard, Edward S. Sanii, Babak Urban, Jeffrey J. Milliron, Delia J. Cohen, Bruce E. Schuck, P. James TI Engineering bright sub-10-nm upconverting nanocrystals for single-molecule imaging SO NATURE NANOTECHNOLOGY LA English DT Article ID UP-CONVERSION LUMINESCENCE; SIZE DEPENDENCE; NANOPARTICLES; LANTHANIDE; FLUORESCENCE; PHASE; ER3+; YB3+; SPECTROSCOPY; ULTRASMALL AB Imaging at the single-molecule level reveals heterogeneities that are lost in ensemble imaging experiments, but an ongoing challenge is the development of luminescent probes with the photostability, brightness and continuous emission necessary for single-molecule microscopy(1-6). Lanthanide-doped upconverting nanoparticles overcome problems of photostability and continuous emission(7-12) and their upcon-verted emission can be excited with near-infrared light at powers orders of magnitude lower than those required for conventional multiphoton probes(13,14). However, the brightness of upconverting nanoparticles has been limited by open questions about energy transfer and relaxation within individual nano-crystals and unavoidable tradeoffs between brightness and size(15-18). Here, we develop upconverting nanoparticles under 10 nm in diameter that are over an order of magnitude brighter under single-particle imaging conditions than existing compositions, allowing us to visualize single upconverting nanoparticles as small (d=4.8 nm) as fluorescent proteins. We use advanced single-particle characterization and theoretical modelling to find that surface effects become critical at diameters under 20 nm and that the fluences used in single-molecule imaging change the dominant determinants of nanocrystal brightness. These results demonstrate that factors known to increase brightness in bulk experiments lose importance at higher excitation powers and that, paradoxically, the brightest probes under single-molecule excitation are barely luminescent at the ensemble level. C1 [Gargas, Daniel J.; Chan, Emory M.; Ostrowski, Alexis D.; Aloni, Shaul; Altoe, M. Virginia P.; Barnard, Edward S.; Sanii, Babak; Urban, Jeffrey J.; Milliron, Delia J.; Cohen, Bruce E.; Schuck, P. James] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Gargas, DJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM becohen@lbl.gov; pjschuck@lbl.gov RI Milliron, Delia/D-6002-2012; Foundry, Molecular/G-9968-2014 FU Bica; National Institute of Biomedical Imaging and Bioengineering, under NIH [F32EB014680]; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the US Department of Energy [DE-AC02-05CH11231] FX The authors thank M. Salmeron and R. Johns for discussions and comments on the manuscript, as well as A. Nievergelt and A. Mueller for assistance with data processing and visualization. P.J.S. acknowledges Bica for support. A.D.O. was supported by a fellowship from the National Institute of Biomedical Imaging and Bioengineering, under NIH Award F32EB014680. Work at the Molecular Foundry was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the US Department of Energy (contract no. DE-AC02-05CH11231). NR 34 TC 114 Z9 115 U1 22 U2 153 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD APR PY 2014 VL 9 IS 4 BP 300 EP 305 DI 10.1038/NNANO.2014.29 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AE5ZV UT WOS:000334068800017 PM 24633523 ER PT J AU Chen, Y Rao, AS Alexandreanu, B Natesan, K AF Chen, Y. Rao, A. S. Alexandreanu, B. Natesan, K. TI Slow strain rate tensile tests on irradiated austenitic stainless steels in simulated light water reactor environments SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT International Conference on Structural Mechanics in Reactor Technology (SMiRT) CY NOV 06-11, 2011 CL New Delhi, INDIA ID STRESS-CORROSION CRACKING; MICROSTRUCTURAL EVOLUTION AB Irradiation stress corrosion cracking (IASCC) is a critical degradation mechanism for reactor internal components that contributes to the safe and economic operation of reactors. As nuclear power plants age and irradiation dose increases, IASCC becomes an increasingly important issue because of its potential impact on the integrity of reactor internal components. In this study, slow strain rate tensile tests were conducted on irradiated tensile specimens at strain rates between 3 and 7 x 10(-7) s(-1) to evaluate cracking susceptibility of austenitic stainless steels in simulated light water reactor (LWR) environments. Significant increases in yield strength were observed for all irradiated specimens and a dose dependence of irradiation hardening was obtained at temperatures relevant to LWRs. Ductility and strain hardening capability were also found decrease rapidly with the increase of dose. After the tests, the specimens were examined using a scanning electron microscopy to characterize fracture morphology. The area fractions of non-ductility fracture were used to evaluate the IASCC susceptibility along with the tensile properties. IASCC susceptibility was also compared for several stainless steels irradiated in the Halden and BOR-60 reactors. A possible neutron spectrum effect was discussed. (C) 2013 Elsevier B.V. All rights reserved. C1 [Chen, Y.; Alexandreanu, B.; Natesan, K.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Rao, A. S.] US Nucl Regulatory Commiss, Washington, DC 20555 USA. RP Chen, Y (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM yiren_chen@anl.gov FU Office of Nuclear Regulatory Research, U.S. Nuclear Regulatory Commission [N6519] FX The authors would like to thank Dr. O.K. Chopra for his invaluable contribution to this program. Ms. Torill Karlson, Mr. Anders Jenssen, Dr. Raj Pathania and Dr. Peter Scott are acknowledged for helping arrange neutron irradiations and transfer irradiated specimens. We are also grateful to Drs. W. H. Cullen, Jr., R. Tregoning, and S. Crane for many helpful discussions and suggestions. This work is sponsored by the Office of Nuclear Regulatory Research, U.S. Nuclear Regulatory Commission, under Job Code N6519; Program Manager: A. S. Rao. NR 13 TC 1 Z9 3 U1 1 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD APR 1 PY 2014 VL 269 SI SI BP 38 EP 44 DI 10.1016/j.nucengdes.2013.08.003 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AE4IU UT WOS:000333946900005 ER PT J AU Hamada, Y Gilbert, JA Larsen, PE Norgaard, MJ AF Hamada, Yuki Gilbert, Jack A. Larsen, Peter E. Norgaard, Madeline J. TI Toward Linking Aboveground Vegetation Properties and Soil Microbial Communities Using Remote Sensing SO PHOTOGRAMMETRIC ENGINEERING AND REMOTE SENSING LA English DT Article ID PLANT-SPECIES RICHNESS; LARGE-FOOTPRINT LIDAR; LIGHT-USE EFFICIENCY; LITTER DECOMPOSITION; PRIMARY PRODUCTIVITY; FOREST ECOSYSTEM; UNSEEN MAJORITY; LANDSAT RECORD; RAIN-FORESTS; DIVERSITY AB Despite their vital role in terrestrial ecosystem function, the distributions and dynamics of soil microbial communities (SMCs) are poorly understood. Vegetation and soil properties are the primary factors that influence SMCs. This paper discusses the potential effectiveness of remote sensing science and technologies for mapping SMC biogeography by characterizing surface biophysical properties (e.g., plant traits and community composition) strongly correlated with SMCs. Using remotely sensed biophysical properties to predict SMC distributions is extremely challenging because of the intricate interactions between biotic and abiotic factors and between above- and below-ground ecosystems. However, the integration of biophysical and soil remote sensing with geospatial information about the environment holds great promise for mapping SMC biogeography Additional research needs involve microbial taxonomic definition, soil environmental complexity, and scaling strategies. The collaborative effort of experts from diverse disciplines is essential to linking terrestrial surface biosphere observations with subsurface microbial community distributions using remote sensing. C1 [Hamada, Yuki; Gilbert, Jack A.; Larsen, Peter E.] Argonne Natl Lab, Lemont, IL 60439 USA. [Norgaard, Madeline J.] Coll St Benedict, St Joseph, MN 56374 USA. [Norgaard, Madeline J.] St Johns Univ, St Joseph, MN 56374 USA. RP Hamada, Y (reprint author), Argonne Natl Lab, 9700 S Cass Ave,Bldg 240, Lemont, IL 60439 USA. EM yhamada@anl.gov RI DeGloria, Stephen/B-8513-2015 OI DeGloria, Stephen/0000-0002-3343-6607 FU UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science Laboratory [DE-AC02-06CH11357] FX The authors thank Dr. W. Mac Post and Dr. Josh Schimel for helpful information and guidance regarding potential applications of vegetation properties to predict SMC community distribution. The authors also thank the anonymous reviewers for their insightful comments, which helped increase the value of the manuscript. 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 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. NR 141 TC 2 Z9 2 U1 0 U2 23 PU AMER SOC PHOTOGRAMMETRY PI BETHESDA PA 5410 GROSVENOR LANE SUITE 210, BETHESDA, MD 20814-2160 USA SN 0099-1112 J9 PHOTOGRAMM ENG REM S JI Photogramm. Eng. Remote Sens. PD APR PY 2014 VL 80 IS 4 BP 311 EP 321 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary; Remote Sensing; Imaging Science & Photographic Technology SC Physical Geography; Geology; Remote Sensing; Imaging Science & Photographic Technology GA AE3HK UT WOS:000333867400006 ER PT J AU Warr, RL Collins, DH AF Warr, Richard L. Collins, David H. TI Bayesian nonparametric models for combining heterogeneous reliability data SO PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART O-JOURNAL OF RISK AND RELIABILITY LA English DT Article DE parallel and series systems; hierarchical modeling; Dirichlet process; lifetime prediction ID SURVIVAL-DATA; INFORMATION AB Modern complex engineering systems often present the analyst with a mix of data types that can be used for reliability prediction: system test results, lifetime data from unit tests of components, and subsystem data, all of which may have predictive value for the system lifetime. We present a hierarchical nonparametric framework, using Dirichlet processes, in which time-to-event distributions may be estimated from sample data or derived based on physical failure mechanisms. By applying a Bayesian methodology, the framework can incorporate prior information, including expert opinion. C1 [Warr, Richard L.] Air Force Inst Technol, Wright Patterson AFB, OH 45433 USA. [Collins, David H.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Warr, RL (reprint author), Air Force Inst Technol, AFIT ENC, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA. EM richard.warr@afit.edu NR 24 TC 1 Z9 1 U1 0 U2 5 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1748-006X EI 1748-0078 J9 P I MECH ENG O-J RIS JI Proc. Inst. Mech. Eng. Part O-J. Risk Reliab. PD APR PY 2014 VL 228 IS 2 BP 166 EP 175 DI 10.1177/1748006X13503319 PG 10 WC Engineering, Multidisciplinary; Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA AE5KY UT WOS:000334029100005 ER PT J AU Aarts, E Wallace, DL Dang, LC Jagust, WJ Cools, R D'Esposito, M AF Aarts, Esther Wallace, Deanna L. Dang, Linh C. Jagust, William J. Cools, Roshan D'Esposito, Mark TI Dopamine and the Cognitive Downside of a Promised Bonus SO PSYCHOLOGICAL SCIENCE LA English DT Article DE cognition; striatum; motivation; PET; dopamine; attention ID POSITRON-EMISSION-TOMOGRAPHY; STRIATAL DOPAMINE; REWARD; ADDICTION; CONFLICT; CORTEX; INTERFACE; DORSAL AB It is often assumed that the promise of a monetary bonus improves cognitive control. We show that in fact appetitive motivation can also impair cognitive control, depending on baseline levels of dopamine-synthesis capacity in the striatum. These data not only demonstrate that appetitive motivation can have paradoxical detrimental effects for cognitive control but also provide a mechanistic account of these effects. C1 [Aarts, Esther; Wallace, Deanna L.; Dang, Linh C.; Jagust, William J.; D'Esposito, Mark] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Aarts, Esther; Cools, Roshan] Radboud Univ Nijmegen, Donders Inst Brain Cognit & Behav, Ctr Cognit Neuroimaging, NL-6525 EN Nijmegen, Netherlands. [Dang, Linh C.; Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Cools, Roshan] Radboud Univ Nijmegen, Dept Psychiat, Med Ctr, NL-6525 EN Nijmegen, Netherlands. RP Aarts, E (reprint author), Radboud Univ Nijmegen, Donders Inst Brain Cognit & Behav, Kapittelweg 29, NL-6525 EN Nijmegen, Netherlands. EM aarts.esther@gmail.com RI Cools, Roshan/D-1905-2010; Aarts, Esther/J-2254-2012 OI Aarts, Esther/0000-0001-6360-6200 FU NIA NIH HHS [AG044292, R01 AG044292]; NIDA NIH HHS [F32 DA027684, F32-DA027684, R01 DA020600, R01-DA20600] NR 33 TC 17 Z9 17 U1 2 U2 7 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 0956-7976 EI 1467-9280 J9 PSYCHOL SCI JI Psychol. Sci. PD APR PY 2014 VL 25 IS 4 BP 1003 EP 1009 DI 10.1177/0956797613517240 PG 7 WC Psychology, Multidisciplinary SC Psychology GA AE5HE UT WOS:000334017600018 PM 24525265 ER PT J AU Smetana, V Corbett, JD Miller, GJ AF Smetana, Volodymyr Corbett, John D. Miller, Gordon J. TI Complex Polyanionic Nets in RbAu4.01(2)Ga8.64(5) and CsAu5Ga9: The Role of Cations in the Formation of New Polar Intermetallics SO ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE LA English DT Article DE Alkali metals; Bonding; Crystal structure; Gold; Intermetallic compounds ID AU-GA SYSTEM; CRYSTAL-STRUCTURE; QUASI-CRYSTAL; PHASES; GOLD; GALLIUM; EARTH; CLUSTER; NAZN13; ALKALI AB Two new alkali metal-poor phases with gold and gallium have been synthesized and structurally characterized using single-crystal X-ray diffraction. RbAu4.01(2)Ga8.64(5) (I) crystallizes in a new tetragonal structure type (tI163.8; I4/m, a = 8.806(1), c = 40.561(8) angstrom, Z = 12). The structure of I contains two types of (defect) icosahedra and three types of Rb-centered distorted snub cubes composed of gold and gallium atoms, so that it is a novel tetragonal superstructure of the defect NaZn13-type structure. The defect icosahedra, which are fully centered by Ga atoms, show distortions that minimize the number of Au-Au contacts as well as having a distribution of vacancies that create 12-atom, 11-atom, and 10-atom polyhedra. CsAu5Ga9 (II) crystallizes with a hexagonal unit cell (hP30; P6(3)/mmc, a = 7.635(1), c = 12.279(3) angstrom, Z = 2) in the BaNi9P5 structure type and is the first intermetallic compound of this type. This structure involves a 3-d network of gold atoms, gallium atoms, and Ga-Ga dimers that form Cs@Au12Ga18 polyhedra, which share hexagonal faces along the c-axis and pentagonal bipyramids in the ab-plane. Its structure shares a resemblance with the hexagonal ZrBeSi structure type. Both compounds exhibit unusually large coordination polyhedra of gold and gallium atoms surrounding each alkali metal with up to 30 near neighbors and a reasonably dense packing. Tight-binding electronic structure calculations on CsAu5Ga9 indicate that although the average Ga-Ga orbital interactions are optimized at the Fermi level, the specific interactions are not. C1 [Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM gmiller@iastate.edu RI Smetana, Volodymyr/C-1340-2015; OI Smetana, Volodymyr/0000-0003-0763-1457 FU Office of the Basic Energy Sciences, Materials Sciences Division, U.S. Department of Energy (DOE); DOE [DE-AC02-07CH11358] FX The research was supported by the Office of the Basic Energy Sciences, Materials Sciences Division, U.S. Department of Energy (DOE). Ames Laboratory is operated for DOE by Iowa State University under contract No. DE-AC02-07CH11358. NR 46 TC 2 Z9 2 U1 1 U2 8 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0044-2313 EI 1521-3749 J9 Z ANORG ALLG CHEM JI Z. Anorg. Allg. Chem. PD APR PY 2014 VL 640 IS 5 SI SI BP 790 EP 796 DI 10.1002/zaac.201400015 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AE1AI UT WOS:000333697200015 ER PT J AU Echols, N Morshed, N Afonine, PV McCoy, AJ Miller, MD Read, RJ Richardson, JS Terwilliger, TC Adams, PD AF Echols, Nathaniel Morshed, Nader Afonine, Pavel V. McCoy, Airlie J. Miller, Mitchell D. Read, Randy J. Richardson, Jane S. Terwilliger, Thomas C. Adams, Paul D. TI Automated identification of elemental ions in macromolecular crystal structures SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID METAL-LIGAND INTERACTIONS; DEPENDENT PROTEIN-KINASE; BOND-VALENCE PARAMETERS; STRUCTURE REFINEMENT; THERMOTOGA-MARITIMA; BINDING-SITES; ACTIVE-SITE; DATA-BANK; COORDINATION; VALIDATION AB Many macromolecular model-building and refinement programs can automatically place solvent atoms in electron density at moderate-to-high resolution. This process frequently builds water molecules in place of elemental ions, the identification of which must be performed manually. The solvent-picking algorithms in phenix. refine have been extended to build common ions based on an analysis of the chemical environment as well as physical properties such as occupancy, B factor and anomalous scattering. The method is most effective for heavier elements such as calcium and zinc, for which a majority of sites can be placed with few false positives in a diverse test set of structures. At atomic resolution, it is observed that it can also be possible to identify tightly bound sodium and magnesium ions. A number of challenges that contribute to the difficulty of completely automating the process of structure completion are discussed. C1 [Echols, Nathaniel; Morshed, Nader; Afonine, Pavel V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [McCoy, Airlie J.; Read, Randy J.] Univ Cambridge, Cambridge Inst Med Res, Dept Haematol, Cambridge CB2 0XY, England. [Miller, Mitchell D.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Richardson, Jane S.] Duke Univ, Med Ctr, Dept Biochem, Durham, NC 27710 USA. [Terwilliger, Thomas C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Echols, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM nechols@lbl.gov RI Read, Randy/L-1418-2013; Terwilliger, Thomas/K-4109-2012; Adams, Paul/A-1977-2013 OI Read, Randy/0000-0001-8273-0047; Terwilliger, Thomas/0000-0001-6384-0320; Adams, Paul/0000-0001-9333-8219 FU NIH [GM063210]; PHENIX Industrial Consortium; US Department of Energy [DE-AC02-05CH11231]; UC Berkeley Summer Undergraduate Research Fellowship; NIH, National Institutes of General Medical Sciences, Protein Structure Initiative award [U54 GM094586]; DOE Office of Biological and Environmental Research; National Institutes of Health, National Institute of General Medical Sciences [P41GM103393]; Wellcome Trust [082961/Z/07/Z] FX We are grateful to Phil Jeffrey for providing the anomalous data for CDCA1, IanWilson for comments on the manuscript, and Lindsay Deis, James Fraser, Felix Frolow, Christine Gee, F. Xavier Gomis-Ruth, Mark Mayer and Jose Henrique Pereira for sharing additional data used for testing. We especially thank the Joint Center for Structural Genomics for depositing unmerged intensity data for all new structures. This research was supported by the NIH (grant GM063210) and the PHENIX Industrial Consortium. This work was partially supported by the US Department of Energy under Contract DE-AC02-05CH11231. NM was partially supported by a UC Berkeley Summer Undergraduate Research Fellowship. MDM was supported by the NIH, National Institutes of General Medical Sciences, Protein Structure Initiative award to JCSG (U54 GM094586). Portions of this research were carried out at the Stanford Synchrotron Radiation Light-source, 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 Institute of General Medical Sciences (including P41GM103393). The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health or NIGMS. RJR is supported by a Principal Research Fellowship from the Wellcome Trust (grant No. 082961/Z/07/Z). NR 63 TC 10 Z9 10 U1 1 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1399-0047 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD APR PY 2014 VL 70 BP 1104 EP 1114 DI 10.1107/S1399004714001308 PN 4 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AE1UT UT WOS:000333756700018 PM 24699654 ER PT J AU Reddy, BG Moates, DB Kim, HB Green, TJ Kim, CY Terwilliger, TC DeLucas, LJ AF Reddy, Bharat G. Moates, Derek B. Kim, Heung-Bok Green, Todd J. Kim, Chang-Yub Terwilliger, Thomas C. DeLucas, Lawrence J. TI 1.55 angstrom resolution X-ray crystal structure of Rv3902c from Mycobacterium tuberculosis SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article ID DATA QUALITY; VIRULENCE; PROTEINS; SEQUENCE; COMPLEX; MODEL; 3D AB The crystallographic structure of the Mycobacterium tuberculosis (TB) protein Rv3902c (176 residues; molecular mass of 19.8 kDa) was determined at 1.55 angstrom resolution. The function of Rv3902c is unknown, although several TB genes involved in bacterial pathogenesis are expressed from the operon containing the Rv3902c gene. The unique structural fold of Rv3902c contains two domains, each consisting of antiparallel beta-sheets and alpha-helices, creating a hand-like binding motif with a small binding pocket in the palm. Structural homology searches reveal that Rv3902c has an overall structure similar to that of the Salmonella virulence-factor chaperone InvB, with an r.m.s.d. for main-chain atoms of 2.3 angstrom along an aligned domain. C1 [Reddy, Bharat G.] Univ Alabama Birmingham, Dept Biochem & Mol Genet, Birmingham, AL 35233 USA. [Moates, Derek B.] Univ Alabama Birmingham, Dept Biol, Birmingham, AL 35233 USA. [Kim, Heung-Bok; Kim, Chang-Yub; Terwilliger, Thomas C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Green, Todd J.] Univ Alabama Birmingham, Dept Microbiol, Birmingham, AL 35233 USA. [DeLucas, Lawrence J.] Univ Alabama Birmingham, Dept Optometry, Birmingham, AL 35233 USA. RP DeLucas, LJ (reprint author), Univ Alabama Birmingham, Dept Optometry, 1025 18th St South, Birmingham, AL 35233 USA. EM duke2@uab.edu RI Terwilliger, Thomas/K-4109-2012 OI Terwilliger, Thomas/0000-0001-6384-0320 FU NASA [NNJ12GA74G]; NIH [5P30CA13148-37, P50 GM62410]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-Eng-38] FX This research was supported in part by NASA grant NNJ12GA74G, NIH grant 5P30CA13148-37 and NIH grant P50 GM62410. Data were collected on the Southeast Regional Collaborative Access Team (SER-CAT) 22-BM beamline at the Advanced Photon Source, Argonne National Laboratory. Supporting institutions may be found at http://www.ser-cat.org/members.html. We thank the staff of SER-CAT for their help during data collection. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. W-31-109-Eng-38. NR 22 TC 1 Z9 2 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD APR PY 2014 VL 70 BP 414 EP 417 DI 10.1107/S2053230X14003793 PN 4 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AE1VB UT WOS:000333757800003 PM 24699730 ER PT J AU Barr, CM Vetterick, GA Unocic, KA Hattar, K Bai, XM Taheri, ML AF Barr, Christopher M. Vetterick, Gregory A. Unocic, Kinga A. Hattar, Khalid Bai, Xian-Ming Taheri, Mitra L. TI Anisotropic radiation-induced segregation in 316L austenitic stainless steel with grain boundary character SO ACTA MATERIALIA LA English DT Article DE Radiation-induced segregation; Grain boundaries; Ion irradiation; Atomistic modeling; Austenitic steel ID STACKING-FAULT ENERGIES; SYMMETRICAL TILT BOUNDARIES; FERRITIC-MARTENSITIC ALLOYS; CR-NI ALLOYS; FCC METALS; IRRADIATION; MODEL; MICROSTRUCTURE; EVOLUTION; INTERNALS AB Radiation-induced segregation (RIS) and subsequent depletion of chromium along grain boundaries has been shown to be an important factor in irradiation-assisted stress corrosion cracking in austenitic face-centered cubic (fcc)-based alloys used for nuclear energy systems. A full understanding of RIS requires examination of the effect of the grain boundary character on the segregation process. Understanding how specific grain boundary structures respond under irradiation would assist in developing or designing alloys that are more efficient at removing point defects, or reducing the overall rate of deleterious Cr segregation. This study shows that solute segregation is dependent not only on grain boundary misorientation, but also on the grain boundary plane, as highlighted by markedly different segregation behavior for the Sigma 3 incoherent and coherent grain boundaries. The link between RIS and atomistic modeling is also explored through molecular dynamic simulations of the interaction of vacancies at different grain boundary structures through defect energetics in a simple model system. A key insight from the coupled experimental RIS measurements and corresponding defect grain boundary modeling is that grain boundary vacancy formation energy may have a critical threshold value related to the major alloying elements' solute segregation. (c) 2013 Acta Materialia Inc Published by Elsevier Ltd. All rights reserved. C1 [Barr, Christopher M.; Vetterick, Gregory A.; Taheri, Mitra L.] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Unocic, Kinga A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Hattar, Khalid] Sandia Natl Labs, Ion Beam Lab, Albuquerque, NM 87185 USA. [Bai, Xian-Ming] Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA. RP Taheri, ML (reprint author), Univ Penn, Dept Mat Sci & Engn, 3141 Chestnut St, Philadelphia, PA 19104 USA. EM mtaheri@coe.drexel.edu RI Bai, Xianming/E-2376-2017 OI Bai, Xianming/0000-0002-4609-6576 FU US Nuclear Regulatory Commission [NRC-38-10-928]; US Department of Energy, Office of Basic Energy Sciences [FWP 1356]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Energy Frontier Research Center (EFRC) Program at Idaho National Laboratory FX M.L.T. and C.M.B. acknowledge funding from The US Nuclear Regulatory Commission under Grant NRC-38-10-928 for this work. X.M.B. acknowledges the support from the Energy Frontier Research Center (EFRC) Program at Idaho National Laboratory funded by the US Department of Energy, Office of Basic Energy Sciences (FWP 1356). This work was partially supported by the US 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 US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Research supported by the Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 57 TC 10 Z9 11 U1 9 U2 83 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 APR PY 2014 VL 67 BP 145 EP 155 DI 10.1016/j.actamat.2013.11.060 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AD8CX UT WOS:000333495200012 ER PT J AU Brown, DW Almer, JD Balogh, L Cerreta, EK Clausen, B Escobedo-Diaz, JP Sisneros, TA Mosbrucker, PL Tulk, EF Vogel, SC AF Brown, D. W. Almer, J. D. Balogh, L. Cerreta, E. K. Clausen, B. Escobedo-Diaz, J. P. Sisneros, T. A. Mosbrucker, P. L. Tulk, E. F. Vogel, S. C. TI Stability of the two-phase (alpha/omega) microstructure of shocked zirconium SO ACTA MATERIALIA LA English DT Article DE Diffraction; Zirconium; High pressure; Phase transformation ID X-RAY-DIFFRACTION; PROFILE ANALYSIS; PHASE-TRANSFORMATION; CRYSTAL-STRUCTURES; DISLOCATION MODEL; STRAIN ANISOTROPY; TEXTURE ANALYSIS; LATTICE-STRAIN; PARTICLE SIZE; OMEGA-PHASES AB The composite microstructure of two-phase (alpha/omega) shocked zirconium was studied in situ during heating (constant heating rate and isothermally) with high-energy X-ray diffraction techniques. The volume fraction of the metastable omega phase was monitored as the reverse phase transformation occurred: the start and finish temperatures being 470 and 550 K, respectively, during heating at 3 K min(-1). Moreover, isothermal transformation was observed when the shocked material was held at fixed temperatures from 420 to 525 K. Phase strains in each phase were monitored and separated in terms of thermal expansion and mechanical strains due to local phase constraints. Stresses in the alpha Zr were estimated to be a superposition of a hydrostatic component (of order -50 MPa) and uniaxial component (of order 600 MPa) along the c-axis. These stresses were relaxed during the reverse transformation. A high dislocation density was observed in both the a and omega phases in the as-shocked state. The dislocation density of the omega phase decreased preceding the reverse transformation, suggesting that it is the presence of the high concentration of defects in the omega phase which retarded the reverse transformation to the stable a phase and prevented the system from approaching equilibrium after the completion of the shock. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Brown, D. W.; Cerreta, E. K.; Clausen, B.; Escobedo-Diaz, J. P.; Sisneros, T. A.; Vogel, S. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Almer, J. D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mosbrucker, P. L.; Tulk, E. F.] Kinectrics Inc, Toronto, ON M8Z 5G5, Canada. [Balogh, L.] Queens Univ, Dept Mech & Mat Engn, Kingston, ON K7L 3N6, Canada. RP Brown, DW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dbrown@lanl.gov RI Clausen, Bjorn/B-3618-2015; Balogh, Levente/S-1238-2016; OI Clausen, Bjorn/0000-0003-3906-846X; Escobedo-Diaz, Juan/0000-0003-2413-7119 FU LDRD program at LANL; US Department of Energy (DOE), Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; US DOE [DE-AC02-06CH1135] FX This work was supported by LDRD program funding at LANL. The Lujan Center at the Los Alamos Neutron Science Center at LANSCE is funded by the US Department of Energy (DOE), Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US DOE Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH1135. NR 50 TC 7 Z9 7 U1 2 U2 26 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 APR PY 2014 VL 67 BP 383 EP 394 DI 10.1016/j.actamat.2013.12.002 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AD8CX UT WOS:000333495200033 ER PT J AU Razzaghi, H Tinker, SC Crider, K AF Razzaghi, Hilda Tinker, Sarah C. Crider, Krista TI Blood mercury concentrations in pregnant and nonpregnant women in the United States: National Health and Nutrition Examination Survey 1999-2006 SO AMERICAN JOURNAL OF OBSTETRICS AND GYNECOLOGY LA English DT Article DE mercury; NHANES; pregnant; seafood ID FISH CONSUMPTION; METHYLMERCURY EXPOSURE; METHYL MERCURY; PRENATAL EXPOSURE; CHILDBEARING AGE; US CHILDREN; COHORT; LEAD; ASSOCIATION; PERFORMANCE AB BACKGROUND: Prenatal exposure to methylmercury is associated with adverse neurologic development in children. We examined total blood mercury concentrations and predictors of higher blood mercury concentrations in pregnant and nonpregnant women. METHODS: We analyzed data from 1183 pregnant and 5587 nonpregnant women aged 16-49 years from the 1999-2006 National Health and Nutrition Examination Survey (NHANES). We estimated geometric mean blood mercury concentrations and characteristics associated with higher mercury concentrations (>= 3.5 mu g/L) in crude and adjusted linear and logistic regression models. RESULTS: After adjusting for age and race/ethnicity, geometric mean blood mercury concentrations were clinically similar but significantly lower for pregnant (0.81 mu g/L; 95% confidence interval [CI], 0.71-0.91) and nonpregnant women of childbearing age (0.93 mu g/L; 95% CI, 0.87-0.99); 94% of pregnant and 89% of nonpregnant women had blood mercury concentrations below 3.5 mu g/L. The most significant predictor of higher blood mercury concentrations for both pregnant and nonpregnant women was any seafood consumption vs no consumption in the last 30 days (odds ratio, 18.7; 95% CI, 4.9-71.1; odds ratio, 15.5; 95% CI, 7.5-32.1, respectively). Other characteristics associated with >= 3.5 mu g/L blood mercury concentrations were older age (>= 35 years), higher education (greater than high school), and higher family income to poverty ratio (3.501+) for both pregnant and nonpregnant women. CONCLUSION: Pregnancy status was not strongly associated with blood mercury concentrations in women of childbearing age and blood mercury concentrations above the 3.5 mu g/L cut were uncommon. C1 [Razzaghi, Hilda; Tinker, Sarah C.; Crider, Krista] Ctr Dis Control & Prevent CDC, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA USA. [Razzaghi, Hilda] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Razzaghi, H (reprint author), Mail Stop E86,1600 Clifton Rd, Atlanta, GA 30333 USA. EM hir2JO@cdc.gov FU Research Participation program for the CDC FX The findings and conclusions in this report are those of the authors and do not necessarily represent the official position of the CDC. H.R. was supported by an appointment to the Research Participation program for the CDC administered by the Oak Ridge Institute for Science and Education through an agreement between the Department of Energy and CDC. H.R. and S.C.T. conducted the analysis. H.R., S.C.T., and K.C. developed the manuscript. NR 40 TC 2 Z9 2 U1 0 U2 9 PU MOSBY-ELSEVIER PI NEW YORK PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010-1710 USA SN 0002-9378 EI 1097-6868 J9 AM J OBSTET GYNECOL JI Am. J. Obstet. Gynecol. PD APR PY 2014 VL 210 IS 4 AR 357.e1 DI 10.1016/j.ajog.2013.10.884 PG 9 WC Obstetrics & Gynecology SC Obstetrics & Gynecology GA AD6WM UT WOS:000333401900022 PM 24189168 ER PT J AU Olmstead, MD Brown, PJ Sako, M Bassett, B Bizyaev, D Brinkmann, J Brownstein, JR Brewington, H Campbell, H D'Andrea, CB Dawson, KS Ebelke, GL Frieman, JA Galbany, L Garnavich, P Gupta, RR Hlozek, R Jha, SW Kunz, M Lampeitl, H Malanushenko, E Malanushenko, V Marriner, J Miquel, R Montero-Dorta, AD Nichol, RC Oravetz, DJ Pan, K Schneider, DP Simmons, AE Smith, M Snedden, SA AF Olmstead, Matthew D. Brown, Peter J. Sako, Masao Bassett, Bruce Bizyaev, Dmitry Brinkmann, J. Brownstein, Joel R. Brewington, Howard Campbell, Heather D'Andrea, Chris B. Dawson, Kyle S. Ebelke, Garrett L. Frieman, Joshua A. Galbany, Lluis Garnavich, Peter Gupta, Ravi R. Hlozek, Renee Jha, Saurabh W. Kunz, Martin Lampeitl, Hubert Malanushenko, Elena Malanushenko, Viktor Marriner, John Miquel, Ramon Montero-Dorta, Antonio D. Nichol, Robert C. Oravetz, Daniel J. Pan, Kaike Schneider, Donald P. Simmons, Audrey E. Smith, Mathew Snedden, Stephanie A. TI HOST GALAXY SPECTRA AND CONSEQUENCES FOR SUPERNOVA TYPING FROM THE SDSS SN SURVEY SO ASTRONOMICAL JOURNAL LA English DT Article DE cosmology: observations; supernovae: general; surveys ID DIGITAL SKY SURVEY; HUBBLE-SPACE-TELESCOPE; OSCILLATION SPECTROSCOPIC SURVEY; STELLAR POPULATION SYNTHESIS; HIGH-REDSHIFT SUPERNOVAE; DARK-ENERGY CONSTRAINTS; LUMINOUS RED GALAXIES; INITIAL MASS FUNCTION; IA LIGHT CURVES; LEGACY SURVEY AB We present the spectroscopy from 5254 galaxies that hosted supernovae (SNe) or other transient events in the Sloan Digital Sky Survey II (SDSS-II). Obtained during SDSS-I, SDSS-II, and the Baryon Oscillation Spectroscopic Survey, this sample represents the largest systematic, unbiased, magnitude limited spectroscopic survey of SN host galaxies. Using the host galaxy redshifts, we test the impact of photometric SN classification based on SDSS imaging data with and without using spectroscopic redshifts of the host galaxies. Following our suggested scheme, there are a total of 1166 photometrically classified SNe Ia when using a flat redshift prior and 1126 SNe Ia when the host spectroscopic redshift is assumed. For 1024 (87.8%) candidates classified as likely SNe Ia without redshift information, we find that the classification is unchanged when adding the host galaxy redshift. Using photometry from SDSS imaging data and the host galaxy spectra, we also report host galaxy properties for use in future analysis of SN astrophysics. Finally, we investigate the differences in the interpretation of the light curve properties with and without knowledge of the redshift. Without host galaxy redshifts, we find that SALT2 light curve fits are systematically biased toward lower photometric redshift estimates and redder colors in the limit of low signal-tonoise data. The general improvements in performance of the light curve fitter and the increased diversity of the host galaxy sample highlights the importance of host galaxy spectroscopy for current photometric SN surveys such as the Dark Energy Survey and future surveys such as the Large Synoptic Survey Telescope. C1 [Olmstead, Matthew D.; Brown, Peter J.; Brownstein, Joel R.; Dawson, Kyle S.; Montero-Dorta, Antonio D.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Brown, Peter J.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, Dept Phys & Astron, College Stn, TX 77843 USA. [Sako, Masao; Gupta, Ravi R.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Bassett, Bruce; Kunz, Martin] African Inst Math Sci, ZA-7945 Muizenberg, South Africa. [Bassett, Bruce] Univ Cape Town, Dept Math & Appl Math, ZA-7700 Cape Town, South Africa. [Bassett, Bruce] S African Astron Observ, ZA-7935 Cape Town, South Africa. [Bizyaev, Dmitry; Brinkmann, J.; Brewington, Howard; Ebelke, Garrett L.; Malanushenko, Elena; Malanushenko, Viktor; Oravetz, Daniel J.; Pan, Kaike; Simmons, Audrey E.; Snedden, Stephanie A.] Apache Point Observ, Sunspot, NM 88349 USA. [Campbell, Heather] Inst Astron, Cambridge CB4 0HA, England. [D'Andrea, Chris B.; Lampeitl, Hubert; Nichol, Robert C.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Frieman, Joshua A.; Marriner, John] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Frieman, Joshua A.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Miquel, Ramon] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Bellaterra, Barcelona, Spain. [Galbany, Lluis] Inst Super Tecn, Ctr Multidisciplinar Astrofis, P-1049001 Lisbon, Portugal. [Garnavich, Peter] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Hlozek, Renee] Dept Astrophys, Princeton, NJ 08544 USA. [Jha, Saurabh W.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Kunz, Martin] Univ Geneva, Dept Phys Theor, CH-1211 Geneva 4, Switzerland. [Kunz, Martin] Univ Geneva, Ctr Astroparticle Phys, CH-1211 Geneva 4, Switzerland. [Miquel, Ramon] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [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. [Smith, Mathew] Univ Western Cape, Dept Phys, ZA-7535 Cape Town, South Africa. RP Olmstead, MD (reprint author), Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. EM olmstead@physics.utah.edu RI Galbany, Lluis/A-8963-2017 OI Galbany, Lluis/0000-0002-1296-6887 FU U.S. Department of Energy [DE-SC0009959]; STFC grant [ST/K00090X/1] FX The work of M.O. and K.D. was supported in part by the U.S. Department of Energy under Grant DE-SC0009959. The support and resources from the Center for High Performance Computing at the University of Utah is gratefully acknowledged. This work was partially supported by STFC grant ST/K00090X/1. Please contact the author(s) to request access to research materials discussed in this paper. NR 112 TC 8 Z9 8 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD APR PY 2014 VL 147 IS 4 AR 75 DI 10.1088/0004-6256/147/4/75 PG 24 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AE1KP UT WOS:000333728500007 ER PT J AU Chaikuad, A Keates, T Vincke, C Kaufholz, M Zenn, M Zimmermann, B Gutierrez, C Zhang, RG Hatzos-Skintges, C Joachimiak, A Muyldermans, S Herberg, FW Knapp, S Muller, S AF Chaikuad, Apirat Keates, Tracy Vincke, Cecile Kaufholz, Melanie Zenn, Michael Zimmermann, Bastian Gutierrez, Carlos Zhang, Rong-guang Hatzos-Skintges, Catherine Joachimiak, Andrzej Muyldermans, Serge Herberg, Friedrich W. Knapp, Stefan Mueller, Susanne TI Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies SO BIOCHEMICAL JOURNAL LA English DT Article DE activation loop; cyclin G-associated kinase; drug side effect; kinase inhibitor; nanobody; protein structure ID SCANNING FLUOROMETRY; RECEPTOR; CLATHRIN; DOMAIN; PROTEINS; VALIDATION; INHIBITORS; REFINEMENT; LIBRARIES; MECHANISM AB GAK (cyclin G-associated kinase) is a key regulator of clathrincoated vesicle trafficking and plays a central role during development. Additionally, due to the unusually high plasticity of its catalytic domain, it is a frequent 'off-target' of clinical kinase inhibitors associated with respiratory side effects of these drugs. In the present paper, we determined the crystal structure of the GAK catalytic domain alone and in complex with specific single-chain antibodies (nanobodies). GAK is constitutively active and weakly associates in solution. The GAK apo structure revealed a dimeric inactive state of the catalytic domain mediated by an unusual activation segment interaction. Co-crystallization with the nanobody NbGAK_4 trapped GAK in a dimeric arrangement similar to the one observed in the apo structure, whereas NbGAK_1 captured the activation segment of monomeric GAK in a well-ordered conformation, representing features of the active kinase. The presented structural and biochemical data provide insight into the domain plasticity of GAK and demonstrate the utility of nanobodies to gain insight into conformational changes of dynamic molecules. In addition, we present structural data on the binding mode of ATP mimetic inhibitors and enzyme kinetic data, which will support rational inhibitor design of inhibitors to reduce the off-target effect on GAK. C1 [Chaikuad, Apirat; Keates, Tracy; Knapp, Stefan; Mueller, Susanne] Univ Oxford, Target Discovery Inst TDI, Oxford OX3 7DQ, England. [Chaikuad, Apirat; Keates, Tracy; Knapp, Stefan; Mueller, Susanne] Univ Oxford, Struct Genom Consortium SGC, Oxford OX3 7DQ, England. [Vincke, Cecile; Muyldermans, Serge] Vrije Univ Brussel, Res Unit Cellular & Mol Immunol, B-1050 Brussels, Belgium. [Vincke, Cecile; Muyldermans, Serge] Vrije Univ Brussel VIB, Dept Biol Struct, B-1050 Brussels, Belgium. [Kaufholz, Melanie; Herberg, Friedrich W.] Univ Kassel, Dept Biochem, D-34132 Kassel, Germany. [Zenn, Michael; Zimmermann, Bastian; Herberg, Friedrich W.] Biaffin GmbH & CoKG, D-34132 Kassel, Germany. [Gutierrez, Carlos] Univ Las Palmas Gran Canaria, Fac Vet, Dept Anim Med & Surg, Arucas 35416, Las Palmas, Spain. [Zhang, Rong-guang; Hatzos-Skintges, Catherine; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Zhang, Rong-guang; Hatzos-Skintges, Catherine; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. RP Muller, S (reprint author), Univ Oxford, Target Discovery Inst TDI, Old Rd Campus Res Bldg, Oxford OX3 7DQ, England. RI Herberg, Friedrich/B-5572-2015; Muyldermans, Serge/C-6418-2016; Gutierrez, Carlos/E-2989-2012; OI Muller-Knapp, Susanne/0000-0003-2402-4157; Herberg, Friedrich/0000-0001-7117-7653; Muyldermans, Serge/0000-0002-3678-3575; Gutierrez, Carlos/0000-0003-0764-7408; Knapp, Stefan/0000-0001-5995-6494 FU Structural Genomics Consortium; Canadian Institutes for Health Research; Canada Foundation for Innovation; Genome Canada; GlaxoSmithKline; Pfizer; Eli Lilly; Takeda; AbbVie; Novartis Research Foundation; Ontario Ministry of Research and Innovation; Wellcome Trust [092809/Z/10/Z]; Bundesministerium fur Bildung und Forschung (BMBF) [0316177F]; European Union [222635]; Protein Binders for Characterisation of Human Proteome Function: Generation, Validation, Application, Seventh Framework programme [AFF1N0MICS, 241481]; [278568] FX This work was supported by the Structural Genomics Consortium which receives funds from the Canadian Institutes for Health Research, the Canada Foundation for Innovation, Genome Canada, GlaxoSmithKline, Pfizer, Eli Lilly, Takeda, AbbVie, the Novartis Research Foundation, the Ontario Ministry of Research and Innovation and the Wellcome Trust [grant number 092809/Z/10/Z] to S. Muller and S.K; the Bundesministerium fur Bildung und Forschung (BMBF) via the Nociceptor Pain Model (NoPain) project (project number 0316177F) to M.K. and F.W.H.; and the European Union via the FP7 AffinityProteome project (contract number 222635) to M.Z. and B.Z.; the AFF1N0MICS: Protein Binders for Characterisation of Human Proteome Function: Generation, Validation, Application, Seventh Framework programme (contract number 241481) to S. Muyldermans, T.K., S. Muller, C.V., M.K. and F.W.H., and [grant number 278568 (to AC.)]. NR 49 TC 13 Z9 13 U1 2 U2 9 PU PORTLAND PRESS LTD PI LONDON PA CHARLES DARWIN HOUSE, 12 ROGER STREET, LONDON WC1N 2JU, ENGLAND SN 0264-6021 EI 1470-8728 J9 BIOCHEM J JI Biochem. J. PD APR 1 PY 2014 VL 459 BP 59 EP 69 DI 10.1042/BJ20131399 PN 1 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AE1GV UT WOS:000333718700006 PM 24438162 ER PT J AU Weeks, AM Keddie, NS Wadoux, RDP O'Hagan, D Chang, MCY AF Weeks, Amy M. Keddie, Neil S. Wadoux, Rudy D. P. O'Hagan, David Chang, Michelle C. Y. TI Molecular Recognition of Fluorine Impacts Substrate Selectivity in the Fluoroacetyl-CoA Thioesterase FlK SO BIOCHEMISTRY LA English DT Article ID STREPTOMYCES-CATTLEYA; FLUOROMETABOLITE BIOSYNTHESIS; CRYSTAL-STRUCTURE; MECHANISM; SPECIFICITY; ACID; FLUOROCITRATE; SUPERFAMILY AB The fluoroacetate-producing bacterium Streptomyces cattleya has evolved a fluoroacetyl-CoA thioesterase (FlK) that exhibits a remarkably high level of discrimination for its cognate substrate compared to the cellularly abundant analogue acetyl-CoA, which differs only by the absence of the fluorine substitution. A major determinant of FlK specificity derives from its ability to take advantage of the unique properties of fluorine to enhance the reaction rate, allowing fluorine discrimination under physiological conditions where both substrates are likely to be present at saturating concentrations. Using a combination of pH-rate profiles, pre-steady-state kinetic experiments, and Taft analysis of wild-type and mutant FlKs with a set of substrate analogues, we explore the role of fluorine in controlling the enzyme acylation and deacylation steps. Further analysis of chiral (R)- and (S)-[H-2(1)]fluoroacetyl-CoA substrates demonstrates that a kinetic isotope effect (1.7 +/- 0.2) is observed for only the (R)-H-2(1) isomer, indicating that deacylation requires recognition of the prochiral fluoromethyl group to position the alpha-carbon for proton abstraction. Taken together, the selectivity for the fluoroacetyl-CoA substrate appears to rely not only on the enhanced polarization provided by the electronegative fluorine substitution but also on molecular recognition of fluorine in both formation and breakdown of the acyl-enzyme intermediate to control active site reactivity. These studies provide insights into the basis of fluorine selectivity in a naturally occurring enzyme-substrate pair, with implications for drug design and the development of fluorine-selective biocatalysts. C1 [Weeks, Amy M.; Chang, Michelle C. Y.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Keddie, Neil S.; Wadoux, Rudy D. P.; O'Hagan, David] Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland. [Keddie, Neil S.; Wadoux, Rudy D. P.; O'Hagan, David] Univ St Andrews, Ctr Biomol Sci, St Andrews KY16 9ST, Fife, Scotland. [Chang, Michelle C. Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Chang, Michelle C. Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Chang, MCY (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mcchang@berkeley.edu OI Keddie, Neil/0000-0002-9502-5862 FU University of California, Berkeley; National Institutes of Health (NIH) [1 DP2 OD008696]; NIH National Research Service Award Training Grant [1 T32 GM066698]; National Science Foundation Graduate Research Fellowship; Aldo DeBenedictis Fellowship FX This work was funded by generous support from University of California, Berkeley, and National Institutes of Health (NIH) New Innovator Award 1 DP2 OD008696. A.M.W. acknowledges the support of an NIH National Research Service Award Training Grant (1 T32 GM066698), a National Science Foundation Graduate Research Fellowship, and an Aldo DeBenedictis Fellowship. NR 23 TC 4 Z9 4 U1 19 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 1 PY 2014 VL 53 IS 12 BP 2053 EP 2063 DI 10.1021/bi4015049 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AE2AS UT WOS:000333776300017 PM 24635371 ER PT J AU Abergel, R AF Abergel, Rebecca TI Future chelating agents SO BIOFUTUR LA French DT Article ID ACTINIDE CHELATORS; DECORPORATION; DTPA; FORMULATION; PLUTONIUM; DESIGN C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Sci Chim, Berkeley, CA 94720 USA. RP Abergel, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Sci Chim, Berkeley, CA 94720 USA. NR 18 TC 0 Z9 0 U1 1 U2 11 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 0294-3506 EI 1769-7174 J9 BIOFUTUR JI Biofutur PD APR PY 2014 IS 353 BP 47 EP 50 PG 4 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AE3GA UT WOS:000333863800053 ER PT J AU Hayes, RL Noel, JK Whitford, PC Mohanty, U Sanbonmatsu, KY Onuchic, JN AF Hayes, Ryan L. Noel, Jeffrey K. Whitford, Paul C. Mohanty, Udayan Sanbonmatsu, Karissa Y. Onuchic, Jose N. TI Reduced Model Captures Mg2+ -RNA Interaction Free Energy of Riboswitches SO BIOPHYSICAL JOURNAL LA English DT Article ID POISSON-BOLTZMANN EQUATION; SAM-II RIBOSWITCH; METAL-ION BINDING; COUNTERION CONDENSATION; MOLECULAR-DYNAMICS; TERTIARY STRUCTURE; NONNATIVE INTERACTIONS; STRUCTURAL STABILITY; TETRAHYMENA RIBOZYME; ADENINE RIBOSWITCH AB The stability of RNA tertiary structures depends heavily on Mg2+. The Mg2+-RNA interaction free energy that stabilizes an RNA structure can be computed experimentally through fluorescence-based assays that measure Gamma(2+), the number of excess Mg2+ associated with an RNA molecule. Previous explicit-solvent simulations predict that the majority of excess Mg2+ ions interact closely and strongly with the RNA, unlike monovalent ions such as K+, suggesting that an explicit treatment of Mg2+ is important for capturing RNA dynamics. Here we present a reduced model that accurately reproduces the thermodynamics of Mg2+-RNA interactions. This model is able to characterize long-timescale RNA dynamics coupled to Mg2+ through the explicit representation of Mg2+ ions. KCl is described by Debye-Huckel screening and a Manning condensation parameter, which represents condensed K+ and models its competition with condensed Mg2+. The model contains one fitted parameter, the number of condensed K+ ions in the absence of Mg2+. Values of Gamma(2+), computed from molecular dynamics simulations using the model show excellent agreement with both experimental data on the adenine riboswitch and previous explicit-solvent simulations of the SAM-I riboswitch. This agreement confirms the thermodynamic accuracy of the model via the direct relation of Gamma(2+), to the Mg2+-RNA interaction free energy, and provides further support for the predictions from explicit-solvent calculations. This reduced model will be useful for future studies of the interplay between Mg2+ and RNA dynamics. C1 [Hayes, Ryan L.; Noel, Jeffrey K.; Onuchic, Jose N.] Rice Univ, Ctr Theoret Biol Phys, Houston, TX USA. [Hayes, Ryan L.; Noel, Jeffrey K.; Onuchic, Jose N.] Rice Univ, Dept Phys & Astron, Houston, TX USA. [Whitford, Paul C.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Mohanty, Udayan] Boston Coll, Dept Chem, Chestnut Hill, MA 02167 USA. [Sanbonmatsu, Karissa Y.] Los Alamos Natl Labs, Div Theoret, Los Alamos, NM 87545 USA. [Onuchic, Jose N.] Rice Univ, Dept Chem, Houston, TX USA. [Onuchic, Jose N.] Rice Univ, Dept Biochem & Cell Biol, Houston, TX 77251 USA. RP Sanbonmatsu, KY (reprint author), Los Alamos Natl Labs, Div Theoret, Los Alamos, NM 87545 USA. EM kys@lanl.gov; jonuchic@rice.edu FU Los Alamos National Laboratory (LANL) Institutional Computing for computing resources; Center for Theoretical Biological Physics; National Science Foundation [PHY-1308264]; NSF [MCB-1214457]; LANL Laboratory Research and Development; Cancer Prevention and Research Institute of Texas FX We are grateful for the support of the Los Alamos National Laboratory (LANL) Institutional Computing for computing resources.; This work was supported by the Center for Theoretical Biological Physics sponsored by the National Science Foundation (Grant PHY-1308264), by the NSF (Grant MCB-1214457), and by LANL Laboratory Research and Development. U.M. is a John Simon Guggenheim Memorial Foundation fellow. J.N.O. is a CPRIT Scholar in Cancer Research sponsored by the Cancer Prevention and Research Institute of Texas. NR 86 TC 11 Z9 11 U1 2 U2 34 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD APR 1 PY 2014 VL 106 IS 7 BP 1508 EP 1519 DI 10.1016/j.bpj.2014.01.042 PG 12 WC Biophysics SC Biophysics GA AE1TY UT WOS:000333754300010 PM 24703312 ER PT J AU Ford, SR Rodgers, AJ Xu, HM Templeton, DC Harben, P Foxall, W Reinke, RE AF Ford, Sean R. Rodgers, Arthur J. Xu, Heming Templeton, Dennise C. Harben, Philip Foxall, William Reinke, Robert E. TI Partitioning of Seismoacoustic Energy and Estimation of Yield and Height-of-Burst/Depth-of-Burial for Near-Surface Explosions SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article AB Explosions near the Earth's surface excite both seismic ground motions and atmospheric overpressure. The energy transferred to the ground and atmosphere from a near-surface explosion depends on yield (W) as well as the height-of-burst/depth-of-burial (HOB/DOB) for above/belowground emplacements. We report analyses of seismic and overpressure motions from the Humble Redwood series of low-yield, near-surface chemical explosions with the aim of developing quantitative models of energy partitioning and a methodology to estimate W and HOB/DOB. The effects of yield, HOB, and range on amplitudes can be cast into separable functions of range and HOB scaled by yield. We find that displacement of the initial P wave and the integral of the positive overpressure (impulse) are diagnostic of W and HOB with minimal scatter. An empirical model describing the dependence of seismic and air-blast measurements on W, HOB/DOB, and range is determined and model parameters are found by regression. We find seismic amplitudes for explosions of a given yield emplaced at or above the surface are reduced by a factor of 3 relative to fully contained explosions below ground. Air-blast overpressure is reduced more dramatically, with impulse reduced by a factor of 100 for deeply buried explosions relative to surface blasts. Our signal models are used to invert seismic and overpressure measurements for W and HOB and we find good agreement (W errors < 30%, HOB within meters) with ground-truth values for four noncircular validation tests. Although there is a trade-off between W and HOB for a single seismic or overpressure measurement, the use of both measurement types allows us to largely break this trade-off and better constrain W and HOB. However, both models lack resolution of HOB for aboveground explosions. C1 [Ford, Sean R.; Rodgers, Arthur J.; Xu, Heming; Templeton, Dennise C.; Harben, Philip; Foxall, William] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94551 USA. [Reinke, Robert E.] Def Threat Reduct Agcy, Albuquerque, NM 87117 USA. RP Ford, SR (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94551 USA. EM sean@llnl.gov RI Rodgers, Arthur/E-2443-2011; Templeton, Dennise/J-8254-2015; Ford, Sean/F-9191-2011 OI Templeton, Dennise/0000-0003-0598-7273; Ford, Sean/0000-0002-0376-5792 FU U.S. Department of Energy, National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Research and Development; U.S. Department of Energy [DE-AC52-07NA27344] FX We are grateful to Pat Lewis (Lawrence Livermore National Laboratory [LLNL]), Doug Seastrand (National Security Technologies LLC [NSTec]), and Al Leverette (Defense Threat Reduction Agency [DTRA]) for field deployment of sensors, data collection, and reduction. This study benefited from earlier analysis of overpressure data by Ross Marrs (LLNL). We are grateful for two anonymous reviewers, particularly the reviewer that noted the ratio of surface-to-body wave energy as an estimator of depth. Keith Koper kindly provided the Dipole Might/Divine Buffalo dataset. The authors are grateful for support from the DTRA and the U.S. Department of Energy, National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Research and Development. This research was performed in part under the auspices of the U.S. Department of Energy by the LLNL under Contract Number DE-AC52-07NA27344. This is LLNL Contribution LLNL-JRNL-635120. NR 35 TC 5 Z9 5 U1 1 U2 9 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 APR PY 2014 VL 104 IS 2 BP 608 EP 623 DI 10.1785/0120130130 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AE0QU UT WOS:000333672000002 ER PT J AU Zhou, XJ Burbey, TJ AF Zhou, Xuejun Burbey, Thomas J. TI Pore-Pressure Response to Sudden Fault Slip for Three Typical Faulting Regimes SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID 1992 LANDERS EARTHQUAKE; RATE-WEAKENING FRICTION; WATER-LEVEL CHANGES; HALF-SPACE; HYDROLOGICAL CHANGES; TENSILE FAULTS; SHALLOW CRUST; SEISMIC-WAVES; POROUS-MEDIA; CREEP EVENTS AB The hydrological effects of earthquakes are determined by the style of fault displacement, rather than simply by the magnitude of the earthquake. In the past, many researchers used the analytical solution of Okada (1992) to estimate the pore-pressure field, which is derived through the stress field by Skempton's B coefficient, after the stress field is calculated from a given forced fault slip in Okada's method (Okada, 1992). This approach is a one-way coupling approach, as fluid has no effect on rock behavior, and Skempton's B coefficient must be given separately to know the pore-pressure field. We create a fault-slip model in conjunction with a poroelastic model and present a new approach in which fault movement is a consequence of reduced friction occurring in a saturated porous medium. This model represents a numerical parallel to the traditional Okada's approach, but with two advantages: (1) it is well suited for more complex geometries and heterogeneous formations for which analytical methods fail; (2) it is fully coupled so that fluid effects are also taken into account. This model shows that all three different faulting regimes exhibit completely different pore-pressure change distributions in 3D space. The transient pore-pressure change after a strike-slip faulting event is axis symmetrical with respect to the imaginary vertical line passing through the epicenter and hypocenter, with increased and decreased areas evenly distributed in a juxtaposed pattern. The transient pore-pressure changes associated with normal and thrust faulting all display a circular pattern on the model surface, with the largest pore-pressure increase occurring at the epicenter for normal faulting and the largest decrease for thrust faulting. Many observed field phenomena have been explained in surprising detail by this model. C1 [Zhou, Xuejun; Burbey, Thomas J.] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. [Zhou, Xuejun; Burbey, Thomas J.] Reg Univ Alliance, Natl Energy Technol Lab, Pittsburgh, PA USA. RP Zhou, XJ (reprint author), Virginia Tech, Dept Geosci, 1425 Perry St, Blacksburg, VA 24061 USA. EM zhouxj@vt.edu; tjburbey@vt.edu OI zhou, xuejun/0000-0003-0060-8422 FU RES [DE-FE0004000] FX This technical effort was performed in support of the National Energy Technology Laboratory (NETL)'s ongoing research in geologic CO2 sequestration under the RES contract DE-FE0004000. The reviewers are greatly appreciated for providing very helpful comments. Any opinions, findings, NR 102 TC 8 Z9 8 U1 0 U2 15 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 APR PY 2014 VL 104 IS 2 BP 793 EP 808 DI 10.1785/0120130139 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AE0QU UT WOS:000333672000013 ER PT J AU Hastings, CJ Bergman, RG Raymond, KN AF Hastings, Courtney J. Bergman, Robert G. Raymond, Kenneth N. TI Origins of Large Rate Enhancements in the Nazarov Cyclization Catalyzed by Supramolecular Encapsulation SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE carbocations; catalysis; electrocyclization; reaction mechanisms; supramolecular chemistry ID AZA-COPE REARRANGEMENT; BASIC SOLUTION; ORTHOFORMATE HYDROLYSIS; MOLECULAR CATALYSIS; ARTIFICIAL ENZYMES; ATP-HYDROLYSIS; ANIONIC HOST; STABILIZATION; COMPLEXES; GUEST AB The self-assembled supramolecular host [Ga4L6](12-) (1; L=N,N-bis(2,3-dihydroxybenzoyl)-1,5-diaminonaphthalene) catalyzes the Nazarov cyclization of 1,3-pentadienols with extremely high levels of efficiency. The catalyzed reaction proceeds at a rate over a million times faster than that of the background reaction, an increase comparable to those observed in some enzymatic systems. A detailed study was conducted to elucidate the reaction mechanism of both the catalyzed and uncatalyzed Nazarov cyclization of pentadienols. Kinetic analysis and O-18-exchange experiments implicate a mechanism, in which encapsulation, protonation, and water loss from substrate are reversible, followed by irreversible electrocyclization. Although electrocyclization is rate determining in the uncatalyzed reaction, the barrier for water loss and for electrocyclization are nearly equal in the assembly-catalyzed reaction. Analysis of the energetics of the catalyzed and uncatalyzed reaction revealed that transition-state stabilization contributes significantly to the dramatically enhanced rate of the catalyzed reaction. C1 [Hastings, Courtney J.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Hastings, Courtney J.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; raymond@socrates.berkeley.edu FU NSF [CHE-0233882, CHE-0840505]; Office of Science, Office of Basic Energy Sciences; Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL [DE-AC02-05CH11231] FX The authors would like to thank Dr. Jamin Krinski and Dr. Kathleen Durkin for assistance with DFT computational studies, and acknowledge NSF Grants CHE-0233882 and CHE-0840505, which fund the UC Berkeley Molecular Graphics and Computational Facility. We also thank Dr. Ulla Andersen for obtaining MS data and Prof. Michael Pluth for helpful discussions. We acknowledge financial support from the Director, Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231. NR 69 TC 16 Z9 16 U1 3 U2 41 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PD APR 1 PY 2014 VL 20 IS 14 BP 3966 EP 3973 DI 10.1002/chem.201303885 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA AD7ME UT WOS:000333447200015 PM 24615703 ER PT J AU McBridea, JC Zhao, XP Munro, NB Smith, CD Jicha, GA Hively, L Broster, LS Schmitt, FA Kryscio, RJ Jiang, Y AF McBridea, Joseph C. Zhao, Xiaopeng Munro, Nancy B. Smith, Charles D. Jicha, Gregory A. Hively, Lee Broster, Lucas S. Schmitt, Frederick A. Kryscio, Richard J. Jiang, Yang TI Spectral and complexity analysis of scalp EEG characteristics for mild cognitive impairment and early Alzheimer's disease SO COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE LA English DT Article DE EEG-based diagnosis; Early Alzheimer's disease; Mild cognitive impairment; Spectral; Entropy ID RESTING EEG; EARLY-STAGE; SYNCHRONIZATION; ELECTROENCEPHALOGRAPHY; DISCRIMINATION; IDENTIFICATION; INFORMATION; POTENTIALS; COHERENCE; DIAGNOSIS AB Amnestic mild cognitive impairment (aMCI) often is an early stage of Alzheimer's disease (AD). MCI is characterized by cognitive decline departing from normal cognitive aging but that does not significantly interfere with daily activities. This study explores the potential of scalp EEG for early detection of alterations from cognitively normal status of older adults signifying MCI and AD. Resting 32-channel EEG records from 48 age-matched participants (mean age 75.7 years)-15 normal controls (NC), 16 early MCI, and 17 early stage AD are examined. Regional spectral and complexity features are computed and used in a support vector machine model to discriminate between groups. Analyses based on three-way classifications demonstrate overall discrimination accuracies of 83.3%, 85.4%, and 79.2% for resting eyes open, counting eyes closed, and resting eyes closed protocols, respectively. These results demonstrate the great promise for scalp EEG spectral and complexity features as noninvasive biomarkers for detection of MCI and early AD. (C) 2014 Elsevier Ireland Ltd. All rights reserved. C1 [McBridea, Joseph C.; Zhao, Xiaopeng] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Zhao, Xiaopeng] Univ Tennessee, Natl Inst Math & Biol Synth, Knoxville, TN 37996 USA. [Munro, Nancy B.; Hively, Lee] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Smith, Charles D.; Jicha, Gregory A.; Schmitt, Frederick A.] Univ Kentucky, Dept Neurol, Lexington, KY 40356 USA. [Smith, Charles D.; Jicha, Gregory A.; Broster, Lucas S.; Schmitt, Frederick A.; Kryscio, Richard J.; Jiang, Yang] Univ Kentucky, Sanders Brown Ctr Aging, Lexington, KY 40356 USA. [Kryscio, Richard J.] Univ Kentucky, Dept Stat, Lexington, KY 40356 USA. [Broster, Lucas S.; Jiang, Yang] Univ Kentucky, Dept Behav Sci, Lexington, KY 40356 USA. RP McBridea, JC (reprint author), Univ Tennessee, 313 Perkins Hall, Knoxville, TN 37996 USA. EM xzhao9@utk.edu RI Zhao, Xiaopeng/A-4419-2008 OI Zhao, Xiaopeng/0000-0003-1207-5379 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, US Department of Energy [DE-AC05-00OR22725]; NSF [CMMI-0845753, CMMI-1234155]; NIH [NIH P30 AG028383, NIH AG00986, NIH NCRR UL1RR033173] FX Research was sponsored in part by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under Contract No. DE-AC05-00OR22725; by the NSF under grant numbers CMMI-0845753 and CMMI-1234155; and in part by the NIH under grants NIH P30 AG028383 to UK Sanders-Brown Center on Aging, NIH AG00986 to YJ, and NIH NCRR UL1RR033173 to UK Center for Clinical and Translational Science. The contributions to this paper by two of the authors (N. B. Munro and L. M. Hively) was prepared while acting in their own independent capacities and not on behalf of UT-Battelle, LLC, or its affiliates or successors, or Oak Ridge National Laboratory, or the US Department of Energy. NR 46 TC 21 Z9 21 U1 1 U2 33 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0169-2607 EI 1872-7565 J9 COMPUT METH PROG BIO JI Comput. Meth. Programs Biomed. PD APR PY 2014 VL 114 IS 2 BP 153 EP 163 DI 10.1016/j.cmpb.2014.01.019 PG 11 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods; Engineering, Biomedical; Medical Informatics SC Computer Science; Engineering; Medical Informatics GA AD7ON UT WOS:000333453600002 PM 24598317 ER PT J AU Gakh, AA Shermolovich, Y AF Gakh, Andrei A. Shermolovich, Yuriy TI Trifluoromethylated Heterocycles SO CURRENT TOPICS IN MEDICINAL CHEMISTRY LA English DT Review DE Trifluoromethyl group; heterocycles ID ORGANIC FLUORINE-COMPOUNDS; FLUOROFORM-DERIVED CUCF3; SULFUR-TETRAFLUORIDE; IN-SITU; MEDIATED TRIFLUOROMETHYLATION; PHOTOREDOX CATALYSIS; CONVENIENT SYNTHESIS; AROMATIC-COMPOUNDS; BUILDING-BLOCKS; DRUG DISCOVERY AB This review is a follow-up to the previous chapter, "Monofluorinated Heterocycles" (Topics in Heterocyclic Chemistry, 2012, 33-63), and presents an overview of synthetic chemistry of heterocycles with only one trifluoromethyl group directly attached to the ring (trifluoromethylated heterocycles). Particular attention is given to the modern direct trifluoromethylation methods, including catalytic reactions, organometallic reagents, carbene and hypervalent chemistry, utilization of ionic nucleophilic and electrophilic trifluoromethylating agents, and to other pertinent trends. One of the emphases of the review is compounds with biomedical potential. C1 [Gakh, Andrei A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Gakh, Andrei A.] Univ Virginia, Charlottesville, VA 22908 USA. [Gakh, Andrei A.] Discovery Chem Project, Bethesda, MD 20824 USA. [Shermolovich, Yuriy] NAS Ukraine, Inst Organ Chem, UA-02660 Kiev 94, Ukraine. RP Gakh, AA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM gakhaa@yahoo.com FU U.S. Department of Energy; National Institutes of Health; U.S. Department of Energy [DE-AC05-00OR22725] FX This paper is a contribution from the Discovery Chemistry Project funded in part by the U.S. Department of Energy in collaboration with the National Institutes of Health. Oak Ridge National Laboratory is managed and operated by UT-Battelle, LLC, under contract DE-AC05-00OR22725 for the U.S. Department of Energy. The content of this publication does not necessarily reflect the views or policies of the U.S. Department of Health and Human Services and the U.S. Department of Energy, nor does mention of trade names, commercial products, or organizations imply endorsement by the U.S. Government. NR 128 TC 14 Z9 14 U1 1 U2 31 PU BENTHAM SCIENCE PUBL LTD PI SHARJAH PA EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES SN 1568-0266 EI 1873-4294 J9 CURR TOP MED CHEM JI Curr. Top. Med. Chem. PD APR PY 2014 VL 14 IS 7 BP 952 EP 965 PG 14 WC Chemistry, Medicinal SC Pharmacology & Pharmacy GA AE1RP UT WOS:000333747600008 PM 24484422 ER PT J AU Akhter, MF Omelon, CR Gordon, RA Moser, D Macfie, SM AF Akhter, Mst. Fardausi Omelon, Christopher R. Gordon, Robert A. Moser, Desmond Macfie, Sheila M. TI Localization and chemical speciation of cadmium in the roots of barley and lettuce SO ENVIRONMENTAL AND EXPERIMENTAL BOTANY LA English DT Article DE Cadmium; Electron spectroscopy; X-ray spectroscopy; Chemical speciation; Hordeum vulgare; Lactuca sativa ID X-RAY-MICROANALYSIS; SYNCHROTRON-RADIATION; SUBCELLULAR-DISTRIBUTION; ARABIDOPSIS-THALIANA; ELECTRON-MICROSCOPY; HYPERACCUMULATOR; ACCUMULATION; LEAVES; PLANTS; ZINC AB Plants have the potential to accumulate toxic amounts of cadmium (Cd), and understanding how and where Cd is stored in plants is important for ensuring food safety. Previous experiments have determined that a greater amount of Cd is translocated into the leaves of lettuce (Lactuca sativa) as compared to barley leaves (Hordeum vulgare). Preferential retention of Cd in root of barley would explain this difference. Hence, the purpose of this study was to determine the localization and coordination environment of Cd (i.e., the ligands to which Cd was bound) in the different root tissues of lettuce and barley using histochemical staining, electron microscopy and micro X-ray spectroscopy. Retention of Cd in barley roots could be explained by accumulation of Cd at the endodermis, comparatively higher amounts of Cd sequestered in the symplast of cortical cells and binding to xylem cell walls. Increased translocation of Cd to lettuce shoots seemed to be due to a less effective barrier at the endodermis and less sequestration of Cd in the cortex. Regardless of the tissue type, most of the Cd2+ was bound to S ligands in the roots of barley, possibly reflecting accumulation of Cd-phytochelatin and Cd S molecules in the vacuoles. In lettuce roots, Cd was more evenly distributed among ligands containing S, O and NO3 groups, which is indicative of proportionately more Cd binding to the cell walls, relative to barley. These results will be useful in uncovering the mechanisms of differential Cd-tolerance and sequestration in lettuce and barley. (C) 2013 Elsevier B.V. All rights reserved. C1 [Akhter, Mst. Fardausi; Macfie, Sheila M.] Univ Western Ontario, Dept Biol, London, ON N6A 5B7, Canada. [Omelon, Christopher R.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. [Gordon, Robert A.] Argonne Natl Lab, Pacific Northwest Consortium Synchrotron Radiat, Argonne, IL 60439 USA. [Moser, Desmond] Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada. RP Macfie, SM (reprint author), Univ Western Ontario, Dept Biol, 1151 Richmond St N, London, ON N6A 5B7, Canada. EM fardausi@gmail.com; omelon@jsg.utexas.edu; ragordon@alumni.sfu.ca; desmond.moser@uwo.ca; smacfie@uwo.ca FU Natural Science and Engineering Research Council (NSERC) of Canada; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; US Department of Energy - Basic Energy Sciences, a Major Resources Support grant from NSERC; University of Washington; Canadian Light Source; Advanced Photon Source FX Funding was provided by the Natural Science and Engineering Research Council (NSERC) of Canada Discovery Grant Program (SMM and DM). Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy - Basic Energy Sciences, a Major Resources Support grant from NSERC, the University of Washington, the Canadian Light Source and the Advanced Photon Source. We thank Mr. Ivan Barker for technical assistance with SEM-WDS; Drs. R. Gregory Thorn, Melanie Columbus, Jeremiah Shuster and Gordon Southam for assistance with processing samples, and Dr. William Hendershot for providing the barley seeds. NR 44 TC 18 Z9 18 U1 9 U2 72 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-8472 EI 1873-7307 J9 ENVIRON EXP BOT JI Environ. Exp. Bot. PD APR PY 2014 VL 100 BP 10 EP 19 DI 10.1016/j.envexpbot.2013.12.005 PG 10 WC Plant Sciences; Environmental Sciences SC Plant Sciences; Environmental Sciences & Ecology GA AD8HX UT WOS:000333508200002 ER PT J AU Donovan, PM Blum, JD Demers, JD Gu, BH Brooks, SC Peryam, J AF Donovan, Patrick M. Blum, Joel D. Demers, Jason D. Gu, Baohua Brooks, Scott C. Peryam, John TI Identification of Multiple Mercury Sources to Stream Sediments near Oak Ridge, TN, USA SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID STABLE-ISOTOPE FRACTIONATION; ECOLOGICAL RISK-ASSESSMENT; LARGE RIVER-RESERVOIR; POPLAR CREEK; HG; SOILS; CONTAMINATION; SPECIATION; TENNESSEE; HG(II) AB Sediments were analyzed for total Hg concentration (THg) and isotopic composition from streams and rivers in the vicinity of the Y-12 National Security Complex (Y12) in Oak Ridge, TN (USA). In the stream directly draining Y12, where industrial releases of mercury (Hg) have been documented, high THg (3.26 to 60.1 mu g/g) sediments had a distinct Hg isotopic composition (delta Hg-202 of 0.02 +/- 0.15 parts per thousand and Delta Hg-199 of -0.07 +/- 0.03 parts per thousand; mean +/- 1SD, n = 12) compared to sediments from relatively uncontaminated streams in the region (delta Hg-202 = -1.40 +/- 0.06 parts per thousand and Delta Hg-199 of -0.26 +/- 0.03 parts per thousand; mean +/- 1SD, n = 6). Additionally, several streams that are nearby but do not drain Y12 had sediments with intermediate THg (0.06 to 0.21 mu g/g) and anomalous delta Hg-202 (as low as -5.07 parts per thousand). We suggest that the low delta Hg-202 values in these sediments provide evidence for the contribution of an additional Hg source to sediments, possibly derived from atmospheric deposition. In sediments directly downstream of Y12 this third Hg source is not discernible, and the Hg isotopic composition can be largely explained by the mixing of low THg sediments with high THg sediments contaminated by Y12 discharges. C1 [Donovan, Patrick M.; Blum, Joel D.; Demers, Jason D.] Univ Michigan, Dept Earth & Environm Sci, Ann Arbor, MI 48109 USA. [Gu, Baohua; Brooks, Scott C.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Peryam, John] Tennessee Dept Environm & Conservat, Div Remediat, DOE Oversight Off, Oak Ridge, TN 37830 USA. RP Donovan, PM (reprint author), Univ Michigan, Dept Earth & Environm Sci, 1100 North Univ Ave, Ann Arbor, MI 48109 USA. EM pmdon@umich.edu RI Brooks, Scott/B-9439-2012; Gu, Baohua/B-9511-2012 OI Brooks, Scott/0000-0002-8437-9788; Gu, Baohua/0000-0002-7299-2956 FU Office of Science (BER), U.S. Department of Energy [DE-SC0007042]; DOE [DE-AC05-000R22725] FX We thank Marcus Johnson for expert assistance in the operation of the CV-MC-ICP-MS and Carrie Miller, Ami Ricassi, Balaji Anandha Rao, and David Kocman for their valuable assistance with field sampling. This manuscript was improved by the constructive comments of three anonymous reviewers. The research was supported by the Office of Science (BER), U.S. Department of Energy under Grant No. DE-SC0007042. ORNL is managed by UT-Battelle LLC for the DOE under Contract No. DE-AC05-000R22725. NR 65 TC 11 Z9 14 U1 10 U2 83 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2014 VL 48 IS 7 BP 3666 EP 3674 DI 10.1021/es4046549 PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AE2AQ UT WOS:000333776100009 PM 24588770 ER PT J AU Worton, DR Isaacman, G Gentner, DR Dallmann, TR Chan, AWH Ruehl, C Kirchstetter, TW Wilson, KR Harley, RA Goldstein, AH AF Worton, David R. Isaacman, Gabriel Gentner, Drew R. Dallmann, Timothy R. Chan, Arthur W. H. Ruehl, Christopher Kirchstetter, Thomas W. Wilson, Kevin R. Harley, Robert A. Goldstein, Allen H. TI Lubricating Oil Dominates Primary Organic Aerosol Emissions from Motor Vehicles SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID DUTY DIESEL TRUCKS; PARTICULATE MATTER EMISSIONS; AIR-POLLUTION SOURCES; GAS-CHROMATOGRAPHY; MASS-SPECTROMETRY; GASOLINE; ATMOSPHERE; CARBON; HYDROCARBONS; EXHAUST AB Motor vehicles are major sources of primary organic aerosol (POA), which is a mixture of a large number of organic compounds that have not been comprehensively characterized. In this work, we apply a recently developed gas chromatography mass spectrometry approach utilizing "soft" vacuum ultraviolet photoionization to achieve unprecedented chemical characterization of motor vehicle POA emissions in a roadway tunnel with a mass closure of >60%. The observed POA was characterized by number of carbon atoms (N-C), number of double bond equivalents (N-DBE) and degree of molecular branching. Vehicular POA was observed to predominantly contain cycloalkanes with one or more rings and one or more branched alkyl side chains (>= 80%) with low abundances of n-alkanes and aromatics (<5%), similar to "fresh" lubricating oil. The gas chromatography retention time data indicates that the cycloalkane ring structures are most likely dominated by cyclohexane and cyclopentane rings and not larger cycloalkanes. High molecular weight combustion byproducts, that is, alkenes, oxygenates, and aromatics, were not present in significant amounts. The observed carbon number and chemical composition of motor vehicle POA was consistent with lubricating oil being the dominant source from both gasoline and diesel-powered vehicles, with an additional smaller contribution from unburned diesel fuel and a negligible contribution from unburned gasoline. C1 [Worton, David R.; Isaacman, Gabriel; Chan, Arthur W. H.; Goldstein, Allen H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Worton, David R.] Aerosol Dynam Inc, Berkeley, CA 94710 USA. [Gentner, Drew R.; Dallmann, Timothy R.; Kirchstetter, Thomas W.; Harley, Robert A.; Goldstein, Allen H.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Ruehl, Christopher; Wilson, Kevin R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Kirchstetter, Thomas W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Worton, DR (reprint author), Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. EM dworton@berkeley.edu RI Worton, David/A-8374-2012; Goldstein, Allen/A-6857-2011; Isaacman-VanWertz, Gabriel/I-5590-2014; Harley, Robert/C-9177-2016; Chan, Arthur/I-2233-2013; OI Worton, David/0000-0002-6558-5586; Goldstein, Allen/0000-0003-4014-4896; Isaacman-VanWertz, Gabriel/0000-0002-3717-4798; Harley, Robert/0000-0002-0559-1917; Chan, Arthur/0000-0001-7392-4237; Dallmann, Timothy/0000-0002-6520-7796 FU EPA [RD834553]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank the staff of the Caldecott tunnel for assistance with data collection. This work was funded by EPA grant RD834553. Its contents are solely the responsibility of the grantee and do not necessarily represent the official views of the EPA. Further, EPA does not endorse purchase of commercial products or services mentioned herein. The Advanced Light Source, the Chemical Dynamics Beamline and KRW were 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 48 TC 36 Z9 37 U1 17 U2 101 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2014 VL 48 IS 7 BP 3698 EP 3706 DI 10.1021/es405375j PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AE2AQ UT WOS:000333776100013 PM 24621254 ER PT J AU Knappenberger, T Flury, M Mattson, ED Harsh, JB AF Knappenberger, Thorsten Flury, Markus Mattson, Earl D. Harsh, James B. TI Does Water Content or Flow Rate Control Colloid Transport in Unsaturated Porous Media? SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID YUCCA MOUNTAIN TUFF; FACILITATED TRANSPORT; PHYSICAL-PROPERTIES; CAPILLARY FORCES; IONIC-STRENGTH; VADOSE ZONE; IDEAL SOIL; PORE-SCALE; RETENTION; INTERFACE AB Mobile colloids can play an important role in contaminant transport in soils: many contaminants exist in colloidal form, and colloids can facilitate transport of otherwise immobile contaminants. In unsaturated soils, colloid transport is, among other factors, affected by water content and flow rate. Our objective was to determine whether water content or flow rate is more important for colloid transport. We passed negatively charged polystyrene colloids (220 nm diameter) through unsaturated sand-filled columns under steady-state flow at different water contents (effective water saturations S-e ranging from 0.1 to 1.0, with S-e = (theta - theta(r))/(theta(s) - theta(r))) and flow rates (pore water velocities nu of 5 and 10 cm/min). Water content was the dominant factor in our experiments. Colloid transport decreased with decreasing water content, and below a critical water content (S-e < 0.1), colloid transport was inhibited, and colloids were strained in water films. Pendular ring and water film thickness calculations indicated that colloids can move only when pendular rings are interconnected. The flow rate affected retention of colloids in the secondary energy minimum, with less colloids being trapped when the flow rate increased. These results confirm the importance of both water content and flow rate for colloid transport in unsaturated porous media and highlight the dominant role of water content. C1 [Knappenberger, Thorsten; Flury, Markus] Washington State Univ, Dept Crop & Soil Sci, Puyallup, WA 98371 USA. [Mattson, Earl D.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Harsh, James B.] Washington State Univ, Dept Crop & Soil Sci, Pullman, WA 99164 USA. RP Knappenberger, T (reprint author), Washington State Univ, Dept Crop & Soil Sci, Puyallup, WA 98371 USA. EM tj.knappenberger@wsu.edu RI Flury, Markus/H-2983-2012; Harsh, James/C-7455-2014; OI Flury, Markus/0000-0002-3344-3962; Harsh, James/0000-0002-0177-3342; Mattson, Earl/0000-0002-2616-0008 FU U.S. Department of Energy, Office of Science (BER) [DE-FG02-08ER64660]; German Research Foundation; Washington State University Agricultural Research Center [0267, 0152] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science (BER), under Award No. DE-FG02-08ER64660. We thank the German Research Foundation for supporting this study with a postdoctoral fellowship to T.K. Funding was further provided by the Washington State University Agricultural Research Center through Hatch Projects 0267 and 0152. We thank the four anonymous reviewers for their comments. NR 66 TC 8 Z9 8 U1 5 U2 55 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2014 VL 48 IS 7 BP 3791 EP 3799 DI 10.1021/es404705d PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AE2AQ UT WOS:000333776100024 PM 24588072 ER PT J AU Sippola, MR Sextro, RG Thatcher, TL AF Sippola, Mark R. Sextro, Richard G. Thatcher, Tracy L. TI Measurements and Modeling of Deposited Particle Transport by Foot Traffic Indoors SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article AB Deposited particles are transported into and within buildings by by adhering to and releasing from people's shoes. To better understand transport of deposited particulate contaminants and exposures to these materials, experimental data on tracking by foot traffic are needed. Laboratory experiments measured uptake and downlay mass transfer efficiencies of particles between shoes and floors in a step-simulation chamber. Equilibrium uptake transfer fractions, the net mass fraction transferred from floors to shoes after several steps, were, also measured. Single-step uptake and downlay transfer efficiencies ranged from 0.02 to 0.22 and equilibrium uptake transfer fractions were 0.10-0.40. Particle size, particle loading, shoe type, floor type, step pressure, and step sequence were all investigated. Experiments demonstrated that single-step downlay transfer efficiencies decrease with each successive step onto clean floors. A simple empirical model is proposed to estimate these transfers as a function of step number. Simulations using the transfer efficiency values measured here illustrate the spread of deposited particles by people walking in a hypothetical hallway. These simulations show that in locations where a few people walk over the same area each minute, tracking can spread deposited material over length scales comparable to building dimensions in just a few hours. C1 [Sippola, Mark R.; Sextro, Richard G.; Thatcher, Tracy L.] Ernest Orlando Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA. RP Sippola, MR (reprint author), Calif Air Resources Board, Stationary Source Div, Sacramento, CA 95814 USA. EM msippola@arb.ca.gov FU Office of Chemical Biological Countermeasures, of the Science and Technology Directorate of the Department of Homeland Security; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the Office of Chemical Biological Countermeasures, of the Science and Technology Directorate of the Department of Homeland Security, and performed under U.S. Department of Energy Contract No. DE-AC02-05CH11231. NR 13 TC 2 Z9 2 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2014 VL 48 IS 7 BP 3800 EP 3807 DI 10.1021/es404886x PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AE2AQ UT WOS:000333776100025 PM 24579974 ER PT J AU Kerisit, S Liu, CX AF Kerisit, Sebastien Liu, Chongxuan TI Molecular Dynamics Simulations of Uranyl and Uranyl Carbonate Adsorption at Aluminosilicate Surfaces SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID NANOSIZED MINERAL FRACTURES; DENSITY-FUNCTIONAL MODEL; EXAFS SPECTROSCOPY; AQUEOUS-SOLUTION; BINDING-SITES; HANFORD-SITE; FORCE-FIELD; FREE-ENERGY; COMPLEXATION; KAOLINITE AB Adsorption at mineral surfaces is a critical factor controlling the mobility of uranium(VI) in aqueous environments. Therefore, molecular dynamics (MD) simulations were performed to investigate uranyl(VI) adsorption onto two neutral aluminosilicate surfaces, namely, the orthoclase (001) surface and the octahedral aluminum sheet of the kaolinite (001) surface. Although uranyl preferentially adsorbs as a bidentate inner-sphere complex on both surfaces, the free energy of adsorption on the orthoclase surface (-15 kcal mol(-1)) is significantly more favorable than that at the kaolinite surface (-3 kcal mol(-1)), which is attributed to differences in surface functional groups and the ability of the orthoclase surface to release a surface potassium ion upon uranyl adsorption. The structures of the adsorbed complexes compare favorably with X-ray absorption spectroscopy results. Simulations of the adsorption of uranyl complexes with up to three carbonate ligands revealed that uranyl complexes coordinated to up to two carbonate ions are stable on the orthoclase surface whereas uranyl carbonate surface complexes are unfavored at the kaolinite surface. Combining the MD-derived equilibrium adsorption constants for orthoclase with aqueous equilibrium constants for uranyl carbonate species indicates the presence of adsorbed uranium complexes with one or two carbonates under alkaline conditions, in support of current uranium (VI) surface complexation models. C1 [Kerisit, Sebastien; Liu, Chongxuan] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Kerisit, S (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM sebastien.kerisit@pnnl.gov RI Liu, Chongxuan/C-5580-2009 FU U.S. Department of Energy (DOE), Office of Biological and Environmental Research (OBER) through the Subsurface Biogeochemistry Research (SBR) Program of the Science Focus Area (SFA) at Pacific Northwest National Laboratory (PNNL); OBER; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX This research was supported by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research (OBER), through the Subsurface Biogeochemistry Research (SBR) Program of the Science Focus Area (SFA) at Pacific Northwest National Laboratory (PNNL). The computer simulations were performed in part using the Molecular Science Computing (MSC) facilities in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a National Scientific User Facility sponsored by OBER and located at PNNL. PNNL is operated for the DOE by Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 69 TC 14 Z9 14 U1 13 U2 110 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2014 VL 48 IS 7 BP 3899 EP 3907 DI 10.1021/es405387c PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AE2AQ UT WOS:000333776100037 PM 24580048 ER PT J AU Dai, ZX Stauffer, PH Carey, JW Middleton, RS Lu, ZM Jacobs, JF Hnottavange-Telleen, K Spangler, LH AF Dai, Zhenxue Stauffer, Philip H. Carey, J. William Middleton, Richard S. Lu, Zhiming Jacobs, John F. Hnottavange-Telleen, Ken Spangler, Lee H. TI Pre-site Characterization Risk Analysis for Commercial-Scale Carbon Sequestration SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SYSTEM MODEL; CO2; STORAGE; LEAKAGE; FLOW; CONDUCTIVITY; TRANSPORT; DIOXIDE; WATER AB This study develops a probability framework to evaluate subsurface risks associated with commercial-scale carbon sequestration in the Kevin Dome, Montana. Limited knowledge of the spatial distribution of physical attributes of the storage reservoir and the confining rocks in the area requires using regional data to estimate project risks during the pre-site characterization analysis. A set of integrated Monte Carlo simulations are used to assess four risk proxies: the CO2 injectivity, area of review (AoR), migration rate into confining rocks, and a monitoring strategy prior to detailed site characterization. Results show a reasonable likelihood of reaching the project goal of injecting 1 Mt in 4 years with a single injection well (>58%), increasing to >70% if the project is allowed to run for 5 years. The mean radius of the AoR, based on a 0.1 MPa pressure change, is around 4.8 km. No leakage of CO2 through the confining units is seen in any simulations. The computed CO2 detection probability suggests that the monitoring wells should be located at less than 1.2 km away from the injection well so that CO2 is likely to be detected within the time frame of the project. The scientific results of this study will be used to inform the detailed site characterization process and to provide more insight for understanding operational and technical risks before injecting CO2. C1 [Dai, Zhenxue; Stauffer, Philip H.; Carey, J. William; Middleton, Richard S.; Lu, Zhiming; Jacobs, John F.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Hnottavange-Telleen, Ken] Schlumberger Carbon Serv, Cambridge, MA 02139 USA. [Spangler, Lee H.] Montana State Univ, Energy Res Inst, Bozeman, MT 59717 USA. RP Dai, ZX (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM daiz@lanl.gov; stauffer@lanl.gov OI Spangler, Lee/0000-0002-3870-6696; Middleton, Richard/0000-0002-8039-6601; Stauffer, Philip/0000-0002-6976-221X; Dai, Zhenxue/0000-0002-0805-7621; Lu, Zhiming/0000-0001-5800-3368 FU U.S. Department of Energy FX This work is part of the Big Sky Carbon Sequestration Partnership CO2-EOR/Storage Project that is supported by the U.S. Department of Energy and managed by the National Energy Technology Laboratory. NR 41 TC 27 Z9 28 U1 0 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2014 VL 48 IS 7 BP 3908 EP 3915 DI 10.1021/es405468p PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AE2AQ UT WOS:000333776100038 PM 24625081 ER PT J AU Ghimire, SR Johnston, JM Ingwersen, WW Hawkins, TR AF Ghimire, Santosh R. Johnston, John M. Ingwersen, Wesley W. Hawkins, Troy R. TI Life Cycle Assessment of Domestic and Agricultural Rainwater Harvesting Systems SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID IMPACT ASSESSMENT; WATER-USE; RAIN WATER; LCA; USA; URBANIZATION; ECOTOXICITY; PERSPECTIVE; MANAGEMENT; CLIMATE AB To further understanding of the environmental implications of rainwater harvesting and its water savings potential relative to conventional U.S. water delivery infrastructure, we present a method to perform life cycle assessment of domestic rainwater harvesting (DRWH) and agricultural rainwater harvesting (ARWH) systems. We also summarize the design aspects of DRWH and ARWH systems adapted to the Back Creek watershed, Virginia. The baseline design reveals that the pump and pumping electricity are the main components of DRWH and ARWH impacts. For nonpotable uses, the minimal design of DRWH (with shortened distribution distance and no pump) outperforms municipal drinking water in all environmental impact categories except ecotoxicity. The minimal design of ARWH outperforms well water in all impact categories. In terms of watershed sustainability, the two minimal designs reduced environmental impacts, from 58% to 78% energy use and 67% to 88% human health criteria pollutants, as well as avoiding up to 20% blue water (surface/groundwater) losses, compared to municipal drinking water and well water. We address potential environmental and human health impacts of urban and rural RWH systems in the region. The Building for Environmental and Economic Sustainability (BEES) model-based life cycle inventory data were used for this study. C1 [Ghimire, Santosh R.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Johnston, John M.] US EPA, Off Res & Dev, Ecosyst Res Div, Athens, GA 30605 USA. [Ingwersen, Wesley W.; Hawkins, Troy R.] US EPA, Off Res & Dev, Sustainable Technol Div, Cincinnati, OH 45268 USA. RP Johnston, JM (reprint author), US EPA, Off Res & Dev, Ecosyst Res Div, 960 Coll Stn Rd, Athens, GA 30605 USA. EM johnston.johnm@epa.gov OI Ingwersen, Wesley/0000-0002-9614-701X FU U.S. Environmental Protection Agency (EPA), Office of Research and Development, Athens, GA; U.S. Department of Energy [DW8992298301]; U.S. Environmental Protection Agency [DW8992298301] FX This research was supported in part by an appointment to the Postdoctoral Research Program at the U.S. Environmental Protection Agency (EPA), Office of Research and Development, Athens, GA, administered by the Oak Ridge Institute for Science and Education through Interagency Agreement No. DW8992298301 between the U.S. Department of Energy and the U.S. Environmental Protection Agency. In addition, we thank Lourdes Prieto and Katie Price (EPA) for their help in GIS and hydrologic model data acquisition. We thank Fran Rauschenberg (Senior Environmental Employee) and Xiaobo Xue (ORISE) for technical editing and review that improved the manuscript. We thank James Evans (SRA International) for the agricultural RWH graphic in Table of Contents Art. We also thank Mike Cudahy, National Association of Home Builders, Beverly Sauer, Franklin Associates, and Jeff Church, Plastic Pipe and Fittings Association, for plastic pipe inventory development. This paper has been reviewed in accordance with Agency policy and approved for publication. The constructive comments of three anonymous reviewers improved the manuscript. The opinions expressed or statements made herein are solely those of the authors and do not necessarily reflect the views of the agencies mentioned above. Trade names or Commercial products cited do not represent an endorsement or recommendation for use. NR 59 TC 10 Z9 10 U1 3 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2014 VL 48 IS 7 BP 4069 EP 4077 DI 10.1021/es500189f PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AE2AQ UT WOS:000333776100057 PM 24605844 ER PT J AU Mai, T Hand, MM Baldwin, SF Wiser, RH Brinkman, GL Denholm, P Arent, DJ Porro, G Sandor, D Hostick, DJ Milligan, M DeMeo, EA Bazilian, M AF Mai, Trieu Hand, M. Maureen Baldwin, Samuel F. Wiser, Ryan H. Brinkman, Greg L. Denholm, Paul Arent, Doug J. Porro, Gian Sandor, Debra Hostick, Donna J. Milligan, Michael DeMeo, Edgar A. Bazilian, Morgan TI Renewable Electricity Futures for the United States SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY LA English DT Article DE Energy storage; power generation dispatch; power generation economics; power systems; power system planning; renewable energy; solar energy; wind energy AB This paper highlights the key results from the Renewable Electricity (RE) Futures Study. It is a detailed consideration of renewable electricity in the United States. The paper focuses on technical issues related to the operability of the U. S. electricity grid and provides initial answers to important questions about the integration of high penetrations of renewable electricity technologies from a national perspective. The results indicate that the future U. S. electricity system that is largely powered by renewable sources is possible and the further work is warranted to investigate this clean generation pathway. The central conclusion of the analysis is that renewable electricity generation from technologies that are commercially available today, in combination with a more flexible electric system, is more than adequate to supply 80% of the total U. S. electricity generation in 2050 while meeting electricity demand on an hourly basis in every region of the United States. C1 [Mai, Trieu; Hand, M. Maureen; Brinkman, Greg L.; Denholm, Paul; Porro, Gian; Sandor, Debra; Milligan, Michael] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Baldwin, Samuel F.] US DOE, Washington, DC 20585 USA. [Wiser, Ryan H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Arent, Doug J.; Bazilian, Morgan] NREL, Joint Inst Strateg Energy Anal, Golden, CO 80401 USA. [Hostick, Donna J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [DeMeo, Edgar A.] Renewable Energy Consulting Serv Inc, Palo Alto, CA 94306 USA. RP Mai, T (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM trieu.mai@nrel.gov; maureen.hand@nrel.gov; sam.baldwin@ee.doe.gov; rhwiser@lbl.gov; gregory.brinkman@nrel.gov; paul.denholm@nrel.gov; doug.arent@jisea.org; gian.porro@nrel.gov; debra.sandor@nrel.gov; donna.hostick@pnnl.gov; michael.milligan@nrel.gov; eademeo@comcast.net; morgan.bazilian@jisea.org FU U.S. Department of Energy [DE-AC36-09GO28308]; National Renewable Energy Laboratory; U.S. DOE Office of Energy Efficiency and Renewable Energy FX This work was supported by the U.S. Department of Energy under contract DE-AC36-09GO28308 with the National Renewable Energy Laboratory. Funding was provided by the U.S. DOE Office of Energy Efficiency and Renewable Energy. The opinions represented in this paper are the authors' own and do not reflect the view of the U.S. Department of Energy or the U. S. Government. NR 28 TC 13 Z9 13 U1 0 U2 28 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3029 J9 IEEE T SUSTAIN ENERG JI IEEE Trans. Sustain. Energy PD APR PY 2014 VL 5 IS 2 BP 372 EP 378 DI 10.1109/TSTE.2013.2290472 PG 7 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Electrical & Electronic SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA AD5IZ UT WOS:000333287200003 ER PT J AU Zhang, JH Welch, G Bishop, G Huang, ZY AF Zhang, Jinghe Welch, Greg Bishop, Gary Huang, Zhenyu TI A Two-Stage Kalman Filter Approach for Robust and Real-Time Power System State Estimation SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY LA English DT Article DE Adaptive Kalman filter; bad data processing; phasor measurement units (PMUs); power system dynamic state; robust state estimation AB As electricity demand continues to grow and renewable energy increases its penetration in the power grid, real-time state estimation becomes essential for system monitoring and control. Recent development in phasor technology makes it possible with high-speed time-synchronized data provided by phasor measurement units (PMUs). In this paper, we present a two-stage Kalman filter approach to estimate the static state of voltage magnitudes and phase angles, as well as the dynamic state of generator rotor angles and speeds. Kalman filters achieve optimal performance only when the system noise characteristics have known statistical properties (zero-mean, Gaussian, and spectrally white). However, in practice, the process and measurement noise models are usually difficult to obtain. Thus, we have developed the adaptive Kalman filter with inflatable noise variances (AKF with InNoVa), an algorithm that can efficiently identify and reduce the impact of incorrect system modeling and/or erroneous measurements. In stage one, we estimate the static state from raw PMU measurements using the AKF with InNoVa; then in stage two, the estimated static state is fed into an extended Kalman filter to estimate the dynamic state. The simulations demonstrate its robustness to sudden changes of system dynamics and erroneous measurements. C1 [Zhang, Jinghe; Bishop, Gary] Univ N Carolina, Dept Comp Sci, Chapel Hill, NC 27599 USA. [Welch, Greg] Univ Cent Florida, Inst Simulat & Training, Orlando, FL 32826 USA. [Welch, Greg] Univ Cent Florida, Comp Sci Div EECS, Orlando, FL 32826 USA. [Huang, Zhenyu] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zhang, JH (reprint author), Univ N Carolina, Dept Comp Sci, Chapel Hill, NC 27599 USA. EM fjing2009@cs.unc.edu; welch@ucf.edu; gbg@cs.unc.edu; zhenyu.huang@pnnl.gov FU U.S. Department of Energy (DOE) [DE-SC0002271]; U.S. ONR Award [N00014-12-1-0052] FX This work was supported by U.S. Department of Energy (DOE) grant DE-SC0002271 "Advanced Kalman Filter for Real-Time Responsiveness in Complex Systems," and in part by U.S. ONR Award N00014-12-1-0052. NR 12 TC 17 Z9 17 U1 2 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3029 J9 IEEE T SUSTAIN ENERG JI IEEE Trans. Sustain. Energy PD APR PY 2014 VL 5 IS 2 BP 629 EP 636 DI 10.1109/TSTE.2013.2280246 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Electrical & Electronic SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA AD5IZ UT WOS:000333287200030 ER PT J AU Taylor, N McKay-Bishop, KN Spencer, RL Farnsworth, PB AF Taylor, Nicholas McKay-Bishop, Kyli N. Spencer, Ross L. Farnsworth, Paul B. TI A novel approach to understanding the effect of matrix composition on analyte emission in an inductively coupled plasma SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID LOCAL THERMODYNAMIC-EQUILIBRIUM; ELECTRON-IMPACT EXCITATION; HOLLOW-CATHODE DISCHARGE; ARGON PLASMA; SPATIAL DISTRIBUTIONS; SAMPLING INTERFACE; NUMBER DENSITIES; BARIUM IONS; SPECTROMETRY; SPECTROSCOPY AB Pulsed laser radiation was directed at an inductively coupled plasma containing a high concentration of an alkaline earth matrix and a lower concentration of a test analyte. When the laser was tuned to an ionic resonance line of the matrix there was a universal transient enhancement of emission lines from the test analyte, irrespective of its identity. The effect was observed for Mg, Sr, Ba, Y, and Zn analytes in the presence of Mg, Sr, and Ca matrices. The enhancement is attributed to heating of the electrons in the plasma by superelastic collisions between electrons and excited matrix ions. By analogy to the laser-based experiments, a model is proposed for plasma-based matrix effects in the ICP, in which energy lost in the form of radiation from matrix ions cools the plasma, resulting in reduced emission from analyte species. The magnitudes of the radiative losses for 0.05 M Ca and Ba matrices were calculated to be 8.7 W cm(-3) and 8.3 W cm(-3), respectively. The model accounts for observed differences between group I and group II matrices. C1 [Taylor, Nicholas] Pacific NW Natl Lab, Richland, WA 99354 USA. [McKay-Bishop, Kyli N.] Neovest, Orem, UT 84097 USA. [Spencer, Ross L.] Brigham Young Univ, Dept Phys & Astron, Provo, UT 84602 USA. [Farnsworth, Paul B.] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. RP Farnsworth, PB (reprint author), Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. EM paul_farnsworth@byu.edu FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy FX This research was fully supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. NR 32 TC 1 Z9 1 U1 2 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 EI 1364-5544 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PD APR PY 2014 VL 29 IS 4 BP 644 EP 656 DI 10.1039/c3ja50352f PG 13 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA AE0MJ UT WOS:000333660100006 ER PT J AU Farrow, CL Shi, CY Juhas, P Peng, XG Billinge, SJL AF Farrow, Christopher L. Shi, Chenyang Juhas, Pavol Peng, Xiaogang Billinge, Simon J. L. TI Robust structure and morphology parameters for CdS nanoparticles by combining small-angle X-ray scattering and atomic pair distribution function data in a complex modeling framework SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID TEMPERATURE; PROGRAM AB In this work, the concept of complex modeling (CM) is tested by carrying out a co-refinement of the atomic pair distribution function and small-angle X-ray scattering data from CdS nanoparticles. It is shown that, compared with either single technique alone, the CM approach yields a more accurate and robust structural insight into the atomic structure and morphology of nanoparticles. This work opens the door for the application of CM to a wider class of nanomaterials and for the incorporation of additional experimental and theoretical techniques into these studies. C1 [Farrow, Christopher L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Shi, Chenyang; Juhas, Pavol; Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Peng, Xiaogang; Billinge, Simon J. L.] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China. RP Billinge, SJL (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM sb2896@columbia.edu RI shi, chenyang/A-9119-2014; peng, xiaogang/R-6184-2016; OI peng, xiaogang/0000-0002-5606-8472; Juhas, Pavol/0000-0001-8751-4458 FU National Science Foundation (NSF) [DMR-0520547]; Columbia-based US-DOE-BES [DE-SC0001085]; US-DOE-BES [DE-AC02-98CH10886]; UUS-DOE-BES [DE-AC02-06CH11357] FX The SrFit framework was developed and the data were collected under the National Science Foundation (NSF) funded DANSE project (DMR-0520547). The samples were prepared at Zhejiang University funded by the Columbia-based US-DOE-BES-funded Energy Frontier Research Center under award No. DE-SC0001085. The data analysis was carried out and the project finalized as part of the Complex Modeling LDRD project at Brookhaven National Laboratory, which is funded by the US-DOE-BES under contract No. DE-AC02-98CH10886. Use of the National Synchrotron Light Source at Brookhaven National Laboratory is also funded under contract No. DE-AC02-98CH10886. Use of the Advanced Photon Source is supported by the UUS-DOE-BES under contract No. DE-AC02-06CH11357. NR 34 TC 6 Z9 6 U1 5 U2 38 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 EI 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD APR PY 2014 VL 47 BP 561 EP 565 DI 10.1107/S1600576713034055 PN 2 PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA AE1UV UT WOS:000333757100010 ER PT J AU Zeng, Z Natesan, K Cai, Z Gosztola, D Cook, R Hiller, J AF Zeng, Z. Natesan, K. Cai, Z. Gosztola, D. Cook, R. Hiller, J. TI Effect of Element Diffusion Through Metallic Networks During Oxidation of Type 321 Stainless Steel SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE advanced characterization; corrosion testing; electron microscopy ID FE-CR ALLOYS; HIGH-TEMPERATURE OXIDATION; INTERNAL OXIDATION; WATER-VAPOR; SELECTIVE OXIDATION; EXTERNAL OXIDATION; SOLID IRON; SI ALLOYS; OXYGEN; CHROMIUM AB A detailed study was conducted on localized oxidation on Type 321 stainless steel (321ss) using synchrotron x-ray nanobeam analysis along with Raman microscopy. The results showed the presence of metallic nanonetworks in the oxide scales, which plays an important role in the continued oxidation of the alloy at 750 A degrees C. A mechanism is proposed to explain the rapid oxidation of 321ss in complex gaseous environments at elevated temperature. Neutral metal atoms could diffuse outward, and carbon atoms could diffuse inward through the metallic nanonetworks in oxide layers. Alternately, diffusion tunnels can dramatically affect the phase composition of the oxide scales. Since the diffusion rate of neutral metal and carbon atoms through the metallic nanonetworks can be much faster than the diffusion of cations through Cr2O3, the metallic nanonetwork provides a path through the protective Cr2O3 layer for the rapid outward diffusion of metallic chromium and iron atoms to the nonprotective spinel layer. This diffusion process affects the solid-state reaction near the alloy-oxide boundary, and a dense Cr2O3 protective layer does not form. The classic stable structure of the oxide scales, with a dense Cr2O3 layer at the bottom, is damaged by the rapid diffusion through the tunnel at the reaction front, resulting in locally accelerated oxidation. This process can subsequently lead to "breakaway" oxidation and catastrophic failure of the alloy. C1 [Zeng, Z.; Natesan, K.; Cai, Z.; Gosztola, D.; Cook, R.; Hiller, J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Zeng, Z (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zeng@anl.gov RI Gosztola, David/D-9320-2011 OI Gosztola, David/0000-0003-2674-1379 FU U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program; UChicago Argonne, LLC. [DE-AC02-06CH11357] FX The authors thank D. L. Rink for conducting the oxidation experiments, and Jianguo Wen for consultation on EELS analysis of iron. This study is supported by the U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program. The authors gratefully acknowledge the use of these following U.S. Department of Energy Office of Science User Facilities: the Advanced Photon Source, the Center for Nanoscale Materials; and the Electron Microscopy Center at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 58 TC 4 Z9 4 U1 1 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 EI 1544-1024 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD APR PY 2014 VL 23 IS 4 BP 1247 EP 1262 DI 10.1007/s11665-014-0909-8 PG 16 WC Materials Science, Multidisciplinary SC Materials Science GA AD4ZA UT WOS:000333259400015 ER PT J AU Sedlacek, O Kucka, J Svec, F Hruby, M AF Sedlacek, Ondrej Kucka, Jan Svec, Frantisek Hruby, Martin TI Silver-coated monolithic columns for separation in radiopharmaceutical applications SO JOURNAL OF SEPARATION SCIENCE LA English DT Article DE Capture; Iodide; Iodine; Monoliths; Silver nanoparticles ID LIQUID-CHROMATOGRAPHY; VANDEEMTER EQUATION; POLYMER; NANOPARTICLES; RADIOIODINATION; PERFORMANCE; MOLECULES; SILICA; TERM AB In this study, we demonstrate the preparation of a macroporous monolithic column containing anchored silver nanoparticles and its use for the elimination of excess radioiodine from the radiolabeled pharmaceutical. The poly(glycidyl methacrylate-co-ethylene dimethacrylate) monolith was first functionalized with cystamine and the free thiol groups liberated by reaction with borohydride. In-house-prepared silver nanoparticles were then attached by interaction with the surface thiols. The deiodization process was demonstrated with the commonly used radiopharmaceutical m-iodobenzylguanidine labeled with radionuclide iodine-125. C1 [Sedlacek, Ondrej; Kucka, Jan; Hruby, Martin] Acad Sci Czech Republic, Inst Macromol Chem, Publ Res Inst, CZ-16206 Prague 6, Czech Republic. [Sedlacek, Ondrej; Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA USA. RP Hruby, M (reprint author), Acad Sci Czech Republic, Inst Macromol Chem, Publ Res Inst, Heyrovsky Sq 2, CZ-16206 Prague 6, Czech Republic. EM mhruby@centrum.cz RI Sedlacek, Ondrej/E-1345-2013; Kucka, Jan/G-7884-2014; Hruby, Martin/H-6479-2014; Foundry, Molecular/G-9968-2014 OI Sedlacek, Ondrej/0000-0001-5731-2687; FU Grant Agency of the Czech Republic [GA202/09/2078]; Academy of Sciences of the Czech Republic [M200501201]; Ministry of Industry and Trade of the Czech Republic [MPO TIP FR-TI4/625]; Fulbright Commission; Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by grant #GA202/09/2078 of the Grant Agency of the Czech Republic, grant #M200501201 of the Academy of Sciences of the Czech Republic, grant #MPO TIP FR-TI4/625 of the Ministry of Industry and Trade of the Czech Republic, as well as the travel grant provided by the Fulbright Commission. Preparation of polymer-based monolithic columns, their functionalization, and modification with silver nanoparticle-spresented in this paper was performed at the Molecular Foundry, Lawrence Berkeley National Laboratory and supported by the Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division of the U.S. Department of Energy, under Contract no. DE-AC02-05CH11231. NR 28 TC 9 Z9 9 U1 3 U2 43 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1615-9306 EI 1615-9314 J9 J SEP SCI JI J. Sep. Sci. PD APR PY 2014 VL 37 IS 7 BP 798 EP 802 DI 10.1002/jssc.201301325 PG 5 WC Chemistry, Analytical SC Chemistry GA AD8TN UT WOS:000333538600008 PM 24478196 ER PT J AU Carrillo, B Choi, JM Bornholdt, ZA Sankaran, B Rice, AP Prasad, BVV AF Carrillo, Berenice Choi, Jae-Mun Bornholdt, Zachary A. Sankaran, Banumathi Rice, Andrew P. Prasad, B. V. Venkataram TI The Influenza A Virus Protein NS1 Displays Structural Polymorphism SO JOURNAL OF VIROLOGY LA English DT Article ID ANTIVIRAL CYTOKINE RESPONSES; PDZ-BINDING MOTIF; X-RAY-STRUCTURE; EFFECTOR DOMAIN; INFECTED-CELLS; NONSTRUCTURAL PROTEIN-1; CRYSTAL-STRUCTURE; RNA-BINDING; REPLICATION; GENE AB NS1 of influenza A virus is a potent antagonist of host antiviral interferon responses. This multifunctional protein with two distinctive domains, an RNA-binding domain (RBD) and an effector domain (ED) separated by a linker region (LR), is implicated in replication, pathogenesis, and host range. Although the structures of individual domains of NS1 from different strains of influenza viruses have been reported, the only structure of full-length NS1 available to date is from an H5N1 strain (A/Vietnam/1203/2004). By carrying out crystallographic analyses of full-length H6N6-NS1 (A/blue-winged teal/MN/993/1980) and an LR deletion mutant, combined with mutational analysis, we show here that these full-length NS1 structures provide an exquisite structural sampling of various conformational states of NS1 that based on the orientation of the ED with respect to RBD can be summarized as "open," "semi-open," and "closed" conformations. Our studies show that preference for these states is clearly dictated by determinants such as linker length, residue composition at position 71, and a mechanical hinge, providing a structural basis for strain-dependent functional variations in NS1. Because of the flexibility inherent in the LR, any particular NS1 could sample the conformational space around these states to engage ED in different quaternary interactions so that it may participate in specific protein-protein or protein-RNA interactions to allow for the known multifunctionality of NS1. We propose that such conformational plasticity provides a mechanism for autoregulating NS1 functions, depending on its temporal distribution, posttranslational modifications, and nuclear or cellular localization, during the course of virus infection. IMPORTANCE NS1 of influenza A virus is a multifunctional protein associated with numerous strain-specific regulatory functions during viral infection, including conferring resistance to antiviral interferon induction, replication, pathogenesis, virulence, and host range. NS1 has two domains, an RNA-binding domain and an effector domain separated by a linker. To date, the only full-length NS1 structure available is that from an H5N1 strain (A/Vietnam/1203/2004). Here, we determined crystal structures of the wild type and a linker region mutant of the H6N6 NS1 (A/blue-winged teal/MN/993/1980), which together with the previously determined H5N1 NS1 structure show that NS1 exhibits significant strain-dependent structural polymorphism due to variations in linker length, residue composition at position 71, and a mechanical hinge. Such a structural polymorphism may be the basis for strain-specific functions associated with NS1. C1 [Carrillo, Berenice; Rice, Andrew P.; Prasad, B. V. Venkataram] Baylor Coll Med, Dept Mol Virol & Microbiol, Houston, TX 77030 USA. [Choi, Jae-Mun; Prasad, B. V. Venkataram] Baylor Coll Med, Verna & Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA. [Bornholdt, Zachary A.] Scripps Res Inst, Dept Immunol & Microbial Sci, La Jolla, CA 92037 USA. [Sankaran, Banumathi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Ctr Struct Biol, Berkeley, CA 94720 USA. RP Prasad, BVV (reprint author), Baylor Coll Med, Dept Mol Virol & Microbiol, Houston, TX 77030 USA. EM vprasad@bcm.edu FU National Institutes of Health [R21 AI083396]; Robert Welch grant [Q1279] FX This study was supported by National Institutes of Health grant R21 AI083396 (A.P.R.) and Robert Welch grant Q1279 (B.V.V.P.). NR 51 TC 12 Z9 12 U1 0 U2 7 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD APR PY 2014 VL 88 IS 8 BP 4113 EP 4122 DI 10.1128/JVI.03692-13 PG 10 WC Virology SC Virology GA AE0SL UT WOS:000333676400017 PM 24478439 ER PT J AU Hernandez-Vargas, EA Wilk, E Canini, L Toapanta, FR Binder, SC Uvarovskii, A Ross, TM Guzman, CA Perelson, AS Meyer-Hermann, M AF Hernandez-Vargas, Esteban A. Wilk, Esther Canini, Laetitia Toapanta, Franklin R. Binder, Sebastian C. Uvarovskii, Alexey Ross, Ted M. Guzman, Carlos A. Perelson, Alan S. Meyer-Hermann, Michael TI Effects of Aging on Influenza Virus Infection Dynamics SO JOURNAL OF VIROLOGY LA English DT Article ID ADAPTIVE IMMUNE-RESPONSE; A-VIRUS; AGED MICE; MODELS; IMMUNOSENESCENCE; CELLS; KINETICS; HUMANS; LUNG; IDENTIFIABILITY AB The consequences of influenza virus infection are generally more severe in individuals over 65 years of age (the elderly). Immunosenescence enhances the susceptibility to viral infections and renders vaccination less effective. Understanding age-related changes in the immune system is crucial in order to design prophylactic and immunomodulatory strategies to reduce morbidity and mortality in the elderly. Here, we propose different mathematical models to provide a quantitative understanding of the immune strategies in the course of influenza virus infection using experimental data from young and aged mice. Simulation results suggested a central role of CD8(+) T cells for adequate viral clearance kinetics in young and aged mice. Adding the removal of infected cells by natural killer cells did not improve the model fit in either young or aged animals. We separately examined the infection-resistant state of cells promoted by the cytokines alpha/beta interferon (IFN-alpha/beta), IFN-gamma, and tumor necrosis factor alpha (TNF-alpha). The combination of activated CD8(+) T cells with any of the cytokines provided the best fits in young and aged animals. During the first 3 days after infection, the basic reproductive number for aged mice was 1.5-fold lower than that for young mice (P<0.05). IMPORTANCE The fits of our models to the experimental data suggest that the increased levels of IFN-alpha/beta, IFN-gamma, and TNF-alpha (the "inflammaging" state) promote slower viral growth in aged mice, which consequently limits the stimulation of immune cells and contributes to the reported impaired responses in the elderly. A quantitative understanding of influenza virus pathogenesis and its shift in the elderly is the key contribution of this work. C1 [Hernandez-Vargas, Esteban A.; Binder, Sebastian C.; Uvarovskii, Alexey; Meyer-Hermann, Michael] Helmholtz Ctr Infect Res, Dept Syst Immunol, Braunschweig, Germany. [Hernandez-Vargas, Esteban A.; Binder, Sebastian C.; Uvarovskii, Alexey; Meyer-Hermann, Michael] Helmholtz Ctr Infect Res, Braunschweig Integrated Ctr Syst Biol, Braunschweig, Germany. [Canini, Laetitia; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Wilk, Esther] Helmholtz Ctr Infect Res, Dept Infect Genet, Braunschweig, Germany. [Toapanta, Franklin R.] Univ Maryland, Ctr Vaccine Dev, Baltimore, MD 21201 USA. [Ross, Ted M.] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA. [Guzman, Carlos A.] Helmholtz Ctr Infect Res, Dept Vaccinol & Appl Microbiol, Braunschweig, Germany. [Meyer-Hermann, Michael] Tech Univ Carolo Wilhelmina Braunschweig, Inst Biochem Biotechnol & Bioinformat, Braunschweig, Germany. RP Perelson, AS (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM asp@lanl.gov; mmh@theoretical-biology.de OI Hernandez-Vargas, Esteban/0000-0002-3645-435X; Binder, Sebastian C./0000-0003-1169-1786 FU BMBF-GerontoSys initiative (GerontoShield); portfolio HGF (metabolic dysfunction); NIH [OD011095, HHSN272201000055C]; International Network in Theoretical Immunology [PIRSESGA-2008-230665] FX This work was supported by the BMBF-GerontoSys initiative (GerontoShield), portfolio HGF (metabolic dysfunction), NIH grant OD011095, and NIH contract HHSN272201000055C (to A. S. P.). This work was performed in part while E. A. Hernandez-Vargas was a visitor at LANL with support from the International Network in Theoretical Immunology (PIRSESGA-2008-230665). NR 62 TC 15 Z9 16 U1 0 U2 18 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD APR PY 2014 VL 88 IS 8 BP 4123 EP 4131 DI 10.1128/JVI.03644-13 PG 9 WC Virology SC Virology GA AE0SL UT WOS:000333676400018 PM 24478442 ER PT J AU Surwade, SP Chai, SH Choi, JP Wang, XQ Lee, JS Vlassiouk, IV Mahurin, SM Dai, S AF Surwade, Sumedh P. Chai, Song-Hai Choi, Jai-Pil Wang, Xiqing Lee, Je Seung Vlassiouk, Ivan V. Mahurin, Shannon M. Dai, Sheng TI Electrochemical Control of Ion Transport through a Mesoporous Carbon Membrane SO LANGMUIR LA English DT Article ID NANOFLUIDIC CHANNELS; FABRICATION; NANOTUBES; DNA; TRANSISTORS; POLYMERS; DEVICES; DIODE AB We report a carbon-based, three-dimensional nanofluidic transport membrane that enables gated, or on/off, control of the transport of organic molecular species and metal ions using an applied electrical potential. In the absence of an applied potential, both cationic and anionic molecules freely diffuse across the membrane via a concentration gradient. However, when an electrochemical potential is applied, the transport of ions through the membrane is inhibited. C1 [Surwade, Sumedh P.; Chai, Song-Hai; Wang, Xiqing; Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Choi, Jai-Pil] Calif State Univ Fresno, Dept Chem, Fresno, CA 93740 USA. [Lee, Je Seung] Kyung Hee Univ, Dept Chem, Seoul, South Korea. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Vlassiouk, Ivan V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Mahurin, SM (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM mahurinsm@ornl.gov; dais@ornl.gov RI Chai, Song-Hai/A-9299-2012; Wang, Xiqing/E-3062-2010; Vlassiouk, Ivan/F-9587-2010; Dai, Sheng/K-8411-2015 OI Chai, Song-Hai/0000-0002-4152-2513; Wang, Xiqing/0000-0002-1843-008X; Vlassiouk, Ivan/0000-0002-5494-0386; Dai, Sheng/0000-0002-8046-3931 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory FX Research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. NR 40 TC 4 Z9 4 U1 3 U2 55 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 1 PY 2014 VL 30 IS 12 BP 3606 EP 3611 DI 10.1021/la404669m PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AE2AT UT WOS:000333776400040 PM 24655006 ER PT J AU Hu, ZQ Ma, BH Liu, SS Narayanan, M Balachandran, U AF Hu, Zhongqiang Ma, Beihai Liu, Shanshan Narayanan, Manoj Balachandran, Uthamalingam TI Ceramic dielectric film capacitors fabricated on aluminum foils by chemical solution deposition SO MATERIALS RESEARCH BULLETIN LA English DT Article DE Thin films; Sol-gel chemistry; Dielectric properties; Ferroelectricity; Energy storage ID TITANATE THIN-FILMS; METAL FOILS; ELECTRODES AB Integration of oxides onto base metal substrates offers great advantages in cost and weight reduction, device miniaturization, and flexibility in packaging. In this work, we report the deposition of dielectric Pb0.92La0.08Zr0.52Ti0.48O3-delta (PLZT 8/52/48) films on aluminum foils by an in-air crystallization process. Film-on-foil structures with and without conductive oxide LaNiO3 (LNO) buffer layer between PLZT film and aluminum foil were tested. Utilization of LNO buffer layer dramatically improved the dielectric and ferroelectric properties of the overlying PLZT compared with those for films deposited directly on aluminum. The improvements in electrical properties were attributed to the suppression of cubic non-ferroelectric layer at the metal/dielectric interface by LNO buffer layer. This work can be extended to the integration of other functional oxide materials with light, conductive, and inexpensive aluminum substrates for a broad range of applications. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Hu, Zhongqiang; Ma, Beihai; Liu, Shanshan; Narayanan, Manoj; Balachandran, Uthamalingam] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Hu, ZQ (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zqhu@anl.gov RI Hu, Zhongqiang/I-2528-2012; Ma, Beihai/I-1674-2013 OI Hu, Zhongqiang/0000-0002-7534-0427; Ma, Beihai/0000-0003-3557-2773 FU U.S. Department of Energy, Vehicle Technologies Program [DE-AC02-06CH11357] FX This work was funded by the U.S. Department of Energy, Vehicle Technologies Program, under Contract DE-AC02-06CH11357. NR 22 TC 3 Z9 3 U1 1 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0025-5408 EI 1873-4227 J9 MATER RES BULL JI Mater. Res. Bull. PD APR PY 2014 VL 52 BP 189 EP 193 DI 10.1016/j.materresbull.2013.11.030 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA AE2FT UT WOS:000333789400032 ER PT J AU Upadhyay, P Reynolds, A AF Upadhyay, Piyush Reynolds, Anthony TI Effect of Backing Plate Thermal Property on Friction Stir Welding of 25-mm-Thick AA6061 SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT International Workshop on Materials Design Process: Thermodynamics, Kinetics and Microstructure Control (TKM) CY JUN 03-04, 2013 CL Getafe, SPAIN ID HEAT-AFFECTED ZONE; MECHANICAL-PROPERTIES; ALUMINUM-ALLOYS; MICROSTRUCTURE; TEMPERATURE; GENERATION; PARAMETERS; NUGGET; MODEL AB By using backing plates made out of materials with widely varying thermal diffusivity this work seeks to elucidate the effects of the root side thermal boundary condition on weld process variables and resulting joint properties. Welds were made in 25.4-mm-thick AA6061 using ceramic, titanium, steel, and aluminum as backing plate (BP) material. Welds were also made using a "composite backing plate" consisting of longitudinal narrow strip of low diffusivity material at the center and two side plates of high diffusivity aluminum. Stir zone temperature during the welding was measured using two thermocouples spot welded at the core of the probe: one at the midplane height and another near the tip of the probe corresponding to the root of the weld. Steady state midplane probe temperatures for all the BPs used were found to be very similar. Near root peak temperature, however, varied significantly among weld made with different BPs all other things being equal. Whereas the near root and midplane temperature were the same in the case of ceramic backing plate, the root peak temperature was 318 K (45 A degrees C) less than the midplane temperature in the case of aluminum BP. The trends of nugget hardness and grain size in through thickness direction were in agreement with the measured probe temperatures. Hardness and tensile test results show that the use of composite BP results in stronger joint compared to monolithic steel BP. C1 [Upadhyay, Piyush; Reynolds, Anthony] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. RP Upadhyay, P (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM piyush.upadhyay@pnnl.gov RI Reynolds, Anthony/F-2585-2010 FU Center for Friction Stir Processing, a National Science Foundation I/UCRC [EEC-0437341] FX The authors acknowledge the financial support of the Center for Friction Stir Processing which is a National Science Foundation I/UCRC supported by Grant No. EEC-0437341. The authors thank Dr. Wei Tang and Daniel Wilhelm, Department of Mechanical Engineering, University of South Carolina, Columbia, SC, USA for their help in preparing the weld joints. NR 17 TC 6 Z9 6 U1 2 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD APR PY 2014 VL 45A IS 4 BP 2091 EP 2100 DI 10.1007/s11661-013-2121-0 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AD8OJ UT WOS:000333525200046 ER PT J AU Carpenter, JS McCabe, RJ Zheng, SJ Wynn, TA Mara, NA Beyerlein, IJ AF Carpenter, John S. McCabe, Rodney J. Zheng, Shijian J. Wynn, Thomas A. Mara, Nathan A. Beyerlein, Irene J. TI Processing Parameter Influence on Texture and Microstructural Evolution in Cu-Nb Multilayer Composites Fabricated via Accumulative Roll Bonding SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT International Workshop on Materials Design Process: Thermodynamics, Kinetics and Microstructure Control (TKM) CY JUN 03-04, 2013 CL Getafe, SPAIN ID SEVERE PLASTIC-DEFORMATION; ULTRA-HIGH STRENGTH; NANOLAYERED COMPOSITES; BIMETAL INTERFACES; NANOLAMELLAR COMPOSITES; NEUTRON-DIFFRACTION; NANOCOMPOSITE WIRES; MECHANICAL-PROPERTIES; THERMAL-STABILITY; CU/NB MULTILAYERS AB A combination of accumulative roll bonding and rolling is used to fabricate bulk sheets of multilayer Cu-Nb bimetallic composites. Alterations in the processing sequence are made in comparison with prior studies in order to expand the processing window available for bimetallic multilayer composites. Cu-Nb composites with layer thicknesses ranging from 45 mu m to 10 nm with accompanying total strains of 3.8 to 12.21 are characterized via neutron diffraction, electron back scatter diffraction, and transmission electron microscopy. These characterization methods provide microstructural information such as layer morphology and grain morphology as well as orientation information such as texture and interface plane normal distribution. The evolution of these microstructural characteristics is collected as a function of increasing strain. These results can provide guidance, inputs, and validation for multiscale predictive models that are being developed on materials with interfacially-driven properties. Finally, synthesis pathways are presented that allow the fabrication of nanoscale multilayer composites with predominant interfacial structures. These fabricated materials are ideal for exploring the relative importance between inter-phase interfacial density and atomic interfacial structure in determining material properties. (C) The Minerals, Metals & Materials Society and ASM International 2013 C1 [Carpenter, John S.; McCabe, Rodney J.; Wynn, Thomas A.; Mara, Nathan A.] Los Alamos Natl Lab, MST Met Grp 6, Los Alamos, NM USA. [Zheng, Shijian J.; Mara, Nathan A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Carpenter, JS (reprint author), Los Alamos Natl Lab, MST Met Grp 6, Los Alamos, NM USA. EM carpenter@lanl.gov RI zheng, shijian/F-2453-2012; Mara, Nathan/J-4509-2014; Beyerlein, Irene/A-4676-2011; OI McCabe, Rodney /0000-0002-6684-7410; Carpenter, John/0000-0001-8821-043X FU Los Alamos National Laboratory Directed Research and Development (LDRD) Project [DR20110029]; DOE [DE-AC52-06NA25396] FX This work is supported by the Los Alamos National Laboratory Directed Research and Development (LDRD) Project DR20110029. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. Neutron diffraction results were collected on the high pressure preferred orientation (HIPPO) beam line at the Los Alamos Neutron Science Center with the help of Dr. S.C. Vogel. Electron microscopy was performed at the Los Alamos Electron Microscopy Laboratory. The authors would also like to acknowledge discussions with Dr. W.Z. Han. NR 65 TC 23 Z9 23 U1 4 U2 52 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD APR PY 2014 VL 45A IS 4 BP 2192 EP 2208 DI 10.1007/s11661-013-2162-4 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AD8OJ UT WOS:000333525200056 ER PT J AU Kooken, J Fox, K Fox, A Wunschel, D AF Kooken, Jennifer Fox, Karen Fox, Alvin Wunschel, David TI "Assessment of marker proteins identified in whole cell extracts for bacterial speciation using liquid chromatography electrospray ionization tandem mass spectrometry" (Reprinted from Molecular and Cellular Probes, vol 28, pg 34-40, 2014) SO MOLECULAR AND CELLULAR PROBES LA English DT Reprint DE Staphylococcus; tandem mass spectrometry; bacterial identification; protein markers ID ASSISTED-LASER-DESORPTION/IONIZATION; RAPID IDENTIFICATION; CLASSIFICATION; PROTEOMICS; SPECIMENS; SEQUENCE; PATTERNS; STRAINS AB Staphylococcal strains (CoNS) were speciated in this study. Digests of proteins released from whole cells were converted to tryptic peptides for analysis. Liquid chromatography electrospray ionization tandem mass spectrometry (LC-ESI MS/MS, Orbitrap) was employed for peptide analysis. Data analysis was performed employing the open-source software XITandem which uses sequenced genomes to generate a virtual peptide database for comparison to experimental data. The search database was modified to include the genomes of the 11 Staphylococcus species most commonly isolated from man. The number of total peptides matching each protein along with the number of peptides specifically matching to the homologue (or homologues) for strains of the same species were assessed. Any peptides not matching to the species examined were considered conflict peptides. The proteins typically identified with the largest percentage of sequence coverage, number of matched peptides and number of peptides corresponding to only the correct species were elongation factor Tu (EF Tu) and enolase (Enol). Additional proteins with consistently observed peptides as well as peptides matching only homologues from the same species were citrate synthase (CS) and 1-pyrroline-5-carboxylate dehydrogenase (1P5CD). Protein markers, previously identified from gel Slices, (aconitate hydratase and oxoglutarate dehydrogenase) were found to provide low confidence scores when employing whole cell digests. The methodological approach described here provides a simple yet elegant way of identification of staphylococci. However, perhaps more importantly the technology should be applicable universally for identification of any bacterial species. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Kooken, Jennifer; Fox, Karen; Fox, Alvin] Univ S Carolina, Sch Med, Dept Pathol Microbiol & Immunol, Columbia, SC 29208 USA. [Wunschel, David] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Wunschel, D (reprint author), Pacific NW Natl Lab, POB 999 MS P7-50, Richland, WA 99354 USA. EM DavidWunschel@Frontier.com OI Kooken, Jennifer/0000-0002-3547-8632 FU NIGMS NIH HHS [R25GM076277] NR 24 TC 1 Z9 1 U1 1 U2 11 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0890-8508 J9 MOL CELL PROBE JI Mol. Cell. Probes PD APR-JUN PY 2014 VL 28 IS 2-3 BP 58 EP 64 DI 10.1016/j.mcp.2014.01.005 PG 7 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology GA AD6OV UT WOS:000333381600002 PM 24486519 ER PT J AU Wunschel, D Engelmann, H Victry, K Clowers, B Sorensen, C Valentine, N Mahoney, C Wietsma, T Wahl, K AF Wunschel, David Engelmann, Heather Victry, Kristin Clowers, Brian Sorensen, Christina Valentine, Nancy Mahoney, Christine Wietsma, Thomas Wahl, Karen TI Protein markers for identification of Yersinia pestis and their variation related to culture SO MOLECULAR AND CELLULAR PROBES LA English DT Article DE Yersinia pestis; Culture environment; Protein expression; HPLC; Tandem mass spectrometry ID TANDEM MASS-SPECTRA; PASTEURELLA-PESTIS; IRON; PROTEOMICS; STRAINS; REGIONS AB The detection of high consequence pathogens, such as Yersinia pestis, is well established in biodefense laboratories for bioterror situations. Laboratory protocols are well established using specified culture media and a growth temperature of 37 C for expression of specific antigens. Direct detection of Y. pestis protein markers, without prior culture, depends on their expression. Unfortunately protein expression can be impacted by the culture medium which cannot be predicted ahead of time. Furthermore, higher biomass yields are obtained at the optimal growth temperature (i.e. 28 degrees C-30 degrees C) and therefore are more likely to be used for bulk production. Analysis of Y. pestis grown on several types of media at 30 C showed that several protein markers were found to be differentially detected in different media. Analysis of the identified proteins against a comprehensive database provided an additional level of organism identification. Peptides corresponding to variable regions of some proteins could separate large groups of strains and aid in organism identification. This work illustrates the need to understand variability of protein expression for detection targets. The potential for relating expression changes of known proteins to specific media factors, even in nutrient rich and chemically complex culture medium, may provide the opportunity to draw forensic information from protein profiles. (c) 2013 Elsevier Ltd. All rights reserved. C1 [Wunschel, David; Engelmann, Heather; Victry, Kristin; Clowers, Brian; Sorensen, Christina; Valentine, Nancy; Mahoney, Christine; Wietsma, Thomas; Wahl, Karen] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wunschel, D (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM David.Wunschel@pnnl.gov FU Department of Homeland Security Science and Technology Directorate [HSHQPM-10-X-00077/4]; U.S. DOE [DE-AC06-76RLO] FX Funding for this work was provided in part through contract HSHQPM-10-X-00077/4 to Pacific Northwest National Laboratory by the Department of Homeland Security Science and Technology Directorate. Battelle Memorial Institute operates Pacific Northwest National Laboratory for the U.S. DOE under Contract DE-AC06-76RLO. NR 26 TC 1 Z9 1 U1 1 U2 11 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0890-8508 J9 MOL CELL PROBE JI Mol. Cell. Probes PD APR-JUN PY 2014 VL 28 IS 2-3 BP 65 EP 72 DI 10.1016/j.mcp.2013.12.001 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology GA AD6OV UT WOS:000333381600003 PM 24333237 ER PT J AU Kooken, J Fox, K Fox, A Altomare, D Creek, K Wunschel, D Pajares-Merino, S Martinez-Ballesteros, I Garaizar, J Oyarzabal, O Samadpour, M AF Kooken, Jennifer Fox, Karen Fox, Alvin Altomare, Diego Creek, Kim Wunschel, David Pajares-Merino, Sara Martinez-Ballesteros, Ilargi Garaizar, Javier Oyarzabal, Omar Samadpour, Mansour TI Identification of staphylococcal species based on variations in protein sequences (mass spectrometry) and DNA sequence (sodA microarray) (Reprinted from Molecular and Cellular Probes, vol 28, pg 41-50, 2014) SO MOLECULAR AND CELLULAR PROBES LA English DT Reprint DE Mass spectrometry; Liquid chromatography-tandem mass spectrometry; Peptide sequence; Soda microarray ID COAGULASE-NEGATIVE STAPHYLOCOCCI; FIELD GEL-ELECTROPHORESIS; REAL-TIME PCR; HUMAN CLINICAL SPECIMENS; HUMAN SKIN; RAPID IDENTIFICATION; LEVEL IDENTIFICATION; VITEK-2 SYSTEM; UNITED-STATES; SUBSP-NOV AB This report is among the first using sequence variation in newly discovered protein markers for staphylococcal (or indeed any other bacterial) speciation. Variation, at the DNA sequence level, in the sodA gene (commonly used for staphylococcal speciation) provided excellent correlation. Relatedness among strains was also assessed using protein profiling using microcapillary electrophoresis and pulsed field electrophoresis. A total of 64 strains were analyzed including reference strains representing the 11 staphylococcal species most commonly isolated from man (Staphylococcus aureus and 10 coagulase negative species [CONS]). Matrix assisted time of flight ionization/ionization mass spectrometry (MALDI TOF MS) and liquid chromatography-electrospray ionization tandem mass spectrometry (LC ESI MS/MS) were used for peptide analysis of proteins isolated from gel bands. Comparison of experimental spectra of unknowns versus spectra of peptides derived from reference strains allowed bacterial identification after MALDI TOF MS analysis. After LC-MS/MS analysis of gel bands bacterial speciation was performed by comparing experimental spectra versus virtual spectra using the software XITandem. Finally LC-MS/MS was performed on whole proteomes and data analysis also employing XItandem. Aconitate hydratase and oxoglutarate dehydrogenase served as marker proteins on focused analysis after gel separation. Alternatively on full proteomics analysis elongation factor Tu generally provided the highest confidence in staphylococcal speciation. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Kooken, Jennifer; Fox, Karen; Fox, Alvin] Univ S Carolina, Sch Med, Dept Pathol Microbiol & Immunol, Columbia, SC 29208 USA. [Altomare, Diego; Creek, Kim] Univ S Carolina, Sch Pharm, Dept Pharmaceut & Biomed Sci, Columbia, SC 29209 USA. [Wunschel, David] Pacific NW Natl Lab, Richland, WA 99354 USA. [Pajares-Merino, Sara; Martinez-Ballesteros, Ilargi; Garaizar, Javier] Univ Basque Country UPV EHU, Fac Pharm, Dept Immunol Microbiol & Parasitol, Vitoria 01006, Spain. [Oyarzabal, Omar; Samadpour, Mansour] Inst Environm Hlth Inc, Poultry Div, Lake Forest Pk, WA 98155 USA. RP Fox, A (reprint author), Univ S Carolina, Sch Med, Dept Pathol Microbiol & Immunol, Columbia, SC 29208 USA. EM alvin.fox@uscmed.sc.edu OI GARAIZAR CANDINA, JAVIER/0000-0002-3093-7078 FU NIGMS NIH HHS [R25GM076277] NR 53 TC 2 Z9 2 U1 0 U2 15 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0890-8508 J9 MOL CELL PROBE JI Mol. Cell. Probes PD APR-JUN PY 2014 VL 28 IS 2-3 BP 73 EP 82 DI 10.1016/j.mcp.2014.01.003 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology GA AD6OV UT WOS:000333381600004 PM 24486297 ER PT J AU Peris, D Sylvester, K Libkind, D Goncalves, P Sampaio, JP Alexander, WG Hittinger, CT AF Peris, David Sylvester, Kayla Libkind, Diego Goncalves, Paula Sampaio, Jose Paulo Alexander, William G. Hittinger, Chris Todd TI Population structure and reticulate evolution of Saccharomyces eubayanus and its lager-brewing hybrids SO MOLECULAR ECOLOGY LA English DT Article DE admixture; phylogeography; Saccharomyces pastorianus; lager beer; Saccharomyces eubayanus; hybridization ID MULTILOCUS GENOTYPE DATA; MOLECULAR CHARACTERIZATION; DNA POLYMORPHISM; NATURAL HYBRIDS; GENOME SEQUENCE; YEAST STRAINS; GENE-TRANSFER; CEREVISIAE; KUDRIAVZEVII; WINE AB Reticulate evolution can be a major driver of diversification into new niches, especially in disturbed habitats and at the edges of ranges. Industrial fermentation strains of yeast provide a window into these processes, but progress has been hampered by a limited understanding of the natural diversity and distribution of Saccharomyces species and populations. For example, lager beer is brewed with Saccharomyces pastorianus, an alloploid hybrid of S.cerevisiae and S.eubayanus, a species only recently discovered in Patagonia, Argentina. Here, we report that genetically diverse strains of S.eubayanus are readily isolated from Patagonia, demonstrating that the species is well established there. Analyses of multilocus sequence data strongly suggest that there are two diverse and highly differentiated Patagonian populations. The low nucleotide diversity found in the S.eubayanus moiety of hybrid European brewing strains suggests that their alleles were drawn from a small subpopulation that is closely related to one of the Patagonian populations. For the first time, we also report the rare isolation of S.eubayanus outside Patagonia, in Wisconsin, USA. In contrast to the clear population differentiation in Patagonia, the North American strains represent a recent and possibly transient admixture of the two Patagonian populations. These complex and varied reticulation events are not adequately captured by conventional phylogenetic methods and required analyses of Bayesian concordance factors and phylogenetic networks to accurately summarize and interpret. These findings show how genetically diverse eukaryotic microbes can produce rare but economically important hybrids with low genetic diversity when they migrate from their natural ecological context. C1 [Peris, David; Sylvester, Kayla; Alexander, William G.; Hittinger, Chris Todd] Univ Wisconsin, Wisconsin Energy Inst, Genome Ctr Wisconsin, DOE Great Lakes Bioenergy Res Ctr,Lab Genet, Madison, WI 53706 USA. [Libkind, Diego] INIBIOMA CONICET UNComahue, Inst Invest Biodiversidad & Medioambiente, Lab Microbiol Aplicada & Biotecnol, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. [Goncalves, Paula; Sampaio, Jose Paulo] Univ Nova Lisboa, Dept Ciencias Vida, Ctr Recursos Microbiol, Fac Ciencias & Tecnol, P-2829516 Caparica, Portugal. RP Hittinger, CT (reprint author), Univ Wisconsin, Wisconsin Energy Inst, Genome Ctr Wisconsin, DOE Great Lakes Bioenergy Res Ctr,Lab Genet, Madison, WI 53706 USA. EM cthittinger@wisc.edu RI Goncalves, Paula/B-4016-2010; Sampaio, Jose Paulo/C-5532-2011; OI Goncalves, Paula/0000-0003-2103-1060; Sampaio, Jose/0000-0001-8145-5274; Peris, David/0000-0001-9912-8802 FU National Science Foundation [DEB-1253634]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science) [BER DE-FC02-07ER64494]; ANPCyT (Argentina) [PICT 1814]; FCT (Portugal) [PTDC/AGR-ALI/118590/2010, PTDC/BIA-EVF/118618/2010]; UNComahue (Argentina) [B171] FX We thank David A. Baum and Bret A. Payseur for critical comments on the manuscript; Amanda B. Hulfachor for artwork; and the administration of the Patagonian National Parks for sampling permits. Funding statement for D.P., K.S., W.G.A. and C.T.H.: This material is based upon work supported by the National Science Foundation under Grant No. DEB-1253634 and funded in part by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). D.L.: ANPCyT PICT 1814 and UNComahue B171 projects (Argentina). J.P.S. and P.G.: Grants PTDC/AGR-ALI/118590/2010 and PTDC/BIA-EVF/118618/2010 FCT (Portugal). NR 100 TC 30 Z9 30 U1 4 U2 46 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0962-1083 EI 1365-294X J9 MOL ECOL JI Mol. Ecol. PD APR PY 2014 VL 23 IS 8 BP 2031 EP 2045 DI 10.1111/mec.12702 PG 15 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA AE3DW UT WOS:000333858200012 PM 24612382 ER PT J AU Pham, CTN Thomas, DG Beiser, J Mitchell, LM Huang, JL Senpan, A Hu, G Gordon, M Baker, NA Pan, D Lanza, GM Hourcade, DE AF Pham, Christine T. N. Thomas, Dennis G. Beiser, Julia Mitchell, Lynne M. Huang, Jennifer L. Senpan, Angana Hu, Grace Gordon, Mae Baker, Nathan A. Pan, Dipanjan Lanza, Gregory M. Hourcade, Dennis E. TI Application of a hemolysis assay for analysis of complement activation by perfluorocarbon nanoparticles SO NANOMEDICINE-NANOTECHNOLOGY BIOLOGY AND MEDICINE LA English DT Article DE Complement; Nanomedicine; Hemolysis Assay; Perfluorocarbon; Nanoparticles; Mouse Model ID ALTERNATIVE PATHWAY TURNOVER; CONTRAST AGENT; RHEUMATOID-ARTHRITIS; PRODUCTS; PROTEIN; TUMOR; SERUM; MODEL AB Nanoparticles offer new options for medical diagnosis and therapeutics with their capacity to specifically target cells and tissues with imaging agents and/or drug payloads. The unique physical aspects of nanoparticles present new challenges for this promising technology. Studies indicate that nanoparticles often elicit moderate to severe complement activation. Using human in vitro assays that corroborated the mouse in vivo results we previously presented mechanistic studies that define the pathway and key components involved in modulating complement interactions with several gadolinium-functionalized perfluorocarbon nanoparticles (PFOB). Here we employ a modified in vitro hemolysis-based assay developed in conjunction with the mouse in vivo model to broaden our analysis to include PFOBs of varying size, charge and surface chemistry and examine the variations in nanoparticle-mediated complement activity between individuals. This approach may provide the tools for an in-depth structure-activity relationship study that will guide the eventual development of biocompatible nanoparticles. From the Clinical Editor: Unique physical aspects of nanoparticles may lead to moderate to severe complement activation in vivo, which represents a challenge to clinical applicability. In order to guide the eventual development of biocompatible nanoparticles, this team of authors report a modified in vitro hemolysis-based assay developed in conjunction with their previously presented mouse model to enable indepth structure-activity relationship studies. (C) 2014 Elsevier Inc. All rights reserved. C1 [Pham, Christine T. N.; Mitchell, Lynne M.; Huang, Jennifer L.; Hourcade, Dennis E.] Washington Univ, Sch Med, Dept Med, Div Rheumatol, St Louis, MO 63110 USA. [Thomas, Dennis G.; Baker, Nathan A.] Pacific NW Natl Lab, Dept Knowledge Discovery & Informat, Richland, WA 99352 USA. [Beiser, Julia; Hu, Grace; Gordon, Mae] Washington Univ, Sch Med, Dept Ophthalmol & Visual Sci, Div Biostat, St Louis, MO 63110 USA. [Senpan, Angana; Pan, Dipanjan; Lanza, Gregory M.] Washington Univ, Sch Med, Dept Med, Div Cardiol, St Louis, MO 63110 USA. [Pan, Dipanjan] Univ Illinois, Dept Bioengn, Champaign, IL USA. RP Hourcade, DE (reprint author), Washington Univ, Sch Med, Dept Med, Div Rheumatol, St Louis, MO 63110 USA. EM dhourcad@dom.wustl.edu RI Baker, Nathan/A-8605-2010 OI Baker, Nathan/0000-0002-5892-6506 FU National Institutes of Health (NIH) [U01NS073457]; Food and Drug Administration (FDA); NIH; Department of Defense (DOD) [R01AI051436, HL112518, HL113392, CA100623, CA154737, AR056468, CA136398]; Washington University Institute of Clinical and Translational Sciences from the National Center for Advancing Translational Sciences (NCATS) of the NIH [UL1 TR000448]; Department of Ophthalmology and Visual Sciences at Washington University from a Research to Prevent Blindness, Inc.; NIH [P30 EY 02687] FX The project described was supported primarily by grant number U01NS073457 from the National Institutes of Health (NIH) and The Food and Drug Administration (FDA). Additional grant support from the NIH and Department of Defense (DOD) included: R01AI051436, HL112518, HL113392, CA100623, CA154737, AR056468, CA136398, Washington University Institute of Clinical and Translational Sciences grant UL1 TR000448 from the National Center for Advancing Translational Sciences (NCATS) of the NIH, and the Department of Ophthalmology and Visual Sciences at Washington University from a Research to Prevent Blindness, Inc. Unrestricted grant, and the NIH Vision Core Grant P30 EY 02687. The content is solely the responsibility of the authors and does not necessarily represent the official views of the NIH, DOD or the FDA. C.T.N.P., D. G. T., J.B., L. M. M., J.L.H., A. S., G. H., M. G., N.A.B, and D. E. H. have no commercial interests related to this work. G. M. L. is a co-inventor on a patent licensed by Washington University of St. Louis to Ocean NanoTech (ONT), Inc AR. He has co-invented patented technology licensed by Kereos, Inc from Barnes-Jewish Hospital/Washington University Medical School. He is the co-founder of Kereos, Inc, a nonexecutive CSO, has equity worth less than $5000.00, and receives small royalty payments indirectly through the BJH-Kereos agreement. D. P. is a co-inventor on a patent licensed by Washington University of St. Louis to Ocean NanoTech (ONT), Inc AR. He serves no role, has no equity position, and receives no royalties from ONT. NR 34 TC 10 Z9 10 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1549-9634 EI 1549-9642 J9 NANOMED-NANOTECHNOL JI Nanomed.-Nanotechnol. Biol. Med. PD APR PY 2014 VL 10 IS 3 BP 651 EP 660 DI 10.1016/j.nano.2013.10.012 PG 10 WC Nanoscience & Nanotechnology; Medicine, Research & Experimental SC Science & Technology - Other Topics; Research & Experimental Medicine GA AE2OH UT WOS:000333812100017 PM 24211337 ER PT J AU Park, JK Goldston, RJ Crocker, NA Fredrickson, ED Bell, MG Maingi, R Tritz, K Jaworski, MA Kubota, S Kelly, F Gerhardt, SP Kaye, SM Menard, JE Ono, M AF Park, J-K Goldston, R. J. Crocker, N. A. Fredrickson, E. D. Bell, M. G. Maingi, R. Tritz, K. Jaworski, M. A. Kubota, S. Kelly, F. Gerhardt, S. P. Kaye, S. M. Menard, J. E. Ono, M. TI Observation of EHO in NSTX and theoretical study of its active control using HHFW antenna SO NUCLEAR FUSION LA English DT Article DE tokamak; ELM; EHO; HHFW; 3D field ID DIII-D; PHYSICS; PLASMAS; REGIME AB Two important topics for tokamak edge-localized modes (ELM) control, based on non-axisymmetric (3D) magnetic perturbations, are studied in NSTX and combined envisioning ELM control in the future NSTX-U operation: experimental observations of the edge harmonic oscillation (EHO) in NSTX (with lower frequency than EHOs in DIII-D and elsewhere), and theoretical study of its external drive using the high-harmonic fast wave (HHFW) antenna as a 3D field coil. EHOs were observed particularly clearly in NSTX ELM-free operation with very low n core modes. A number of diagnostics have confirmed n = 4-6 edge-localized and coherent oscillations in the 2-8 kHz frequency range. These oscillations seem to have a favoured operational window in rotational shear, similar to EHOs in DIII-D quiescent H modes. However, in NSTX, they are not observed to provide significant particle or impurity transport, possibly due to their weak amplitudes, of a fewmmdisplacements, as measured by reflectometry. The external drive of these modes has been proposed in NSTX, by utilizing audio-frequency currents in the HHFW antenna straps. Analysis shows that the HHFW straps can be optimized to maximize n = 4-6 while minimizing n = 1-3. Also, ideal perturbed equilibrium code calculations show that the optimized configuration with only 1 kAt current can produce comparable or larger displacements than the observed internal modes. Thus it may be possible to use externally driven EHOs to relax the edge pressure gradient and control ELMs in NSTX-U and future devices. Fine and external control over the edge pressure gradient would be a very valuable tool for tokamak control. C1 [Park, J-K; Goldston, R. J.; Fredrickson, E. D.; Bell, M. G.; Jaworski, M. A.; Kelly, F.; Gerhardt, S. P.; Kaye, S. M.; Menard, J. E.; Ono, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Crocker, N. A.; Kubota, S.] Univ Calif Los Angeles, Inst Plasma & Fus Res, Los Angeles, CA 90095 USA. [Maingi, R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Tritz, K.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21210 USA. RP Park, JK (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM jpark@pppl.gov OI Menard, Jonathan/0000-0003-1292-3286 FU DOE [DE-AC02-09CH11466] FX This work was supported by DOE Contract No DE-AC02-09CH11466. NR 33 TC 1 Z9 1 U1 2 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD APR PY 2014 VL 54 IS 4 AR 043013 DI 10.1088/0029-5515/54/4/043013 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AE0OX UT WOS:000333666700017 ER PT J AU Strauss, H Sugiyama, L Paccagnella, R Breslau, J Jardin, S AF Strauss, H. Sugiyama, L. Paccagnella, R. Breslau, J. Jardin, S. TI Tokamak toroidal rotation caused by AVDEs and ELMs SO NUCLEAR FUSION LA English DT Article DE tokamak rotation disruption; AVDE; ELM ID MHD STABILITY; DISRUPTIONS; SIMULATION AB Toroidal rotation can be produced by disruptions, as observed in several experiments. There is a concern that rotating asymmetric forces during an ITER disruption might resonate with the blanket and other structures surrounding the plasma. Here it is shown, both computationally using the M3D code, and analytically, that toroidal rotation is produced by magnetohydrodynamic turbulence. In particular, rotation is produced during an asymmetric vertical displacement event (AVDE) disruption. Toroidal and poloidal rotation are also produced during edge localized modes (ELMs), and may be consistent with a scaling law found for intrinsic toroidal rotation in H-mode tokamaks. C1 [Strauss, H.] HRS Fus, W Orange, NJ 07052 USA. [Sugiyama, L.] MIT, Cambridge, MA 02139 USA. [Paccagnella, R.] CNR, Consorzio RFX, Padua, Italy. [Paccagnella, R.] CNR, Ist Gas Ionizzati, Padua, Italy. [Breslau, J.; Jardin, S.] Princeton Plasma Phys Lab, Princeton, NJ 08570 USA. RP Strauss, H (reprint author), HRS Fus, W Orange, NJ 07052 USA. EM hank@hrsfusion.com FU USDOE; [F4E] FX This work was supported by USDOE and F4E. NR 22 TC 10 Z9 10 U1 2 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD APR PY 2014 VL 54 IS 4 AR 043017 DI 10.1088/0029-5515/54/4/043017 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AE0OX UT WOS:000333666700021 ER PT J AU Wang, ZH Xu, XQ Xia, TY Rognlien, TD AF Wang, Z. H. Xu, X. Q. Xia, T. Y. Rognlien, T. D. TI 2D simulations of transport dynamics during tokamak fuelling by supersonic molecular beam injection SO NUCLEAR FUSION LA English DT Article DE plasma fueling; SMBI simulation; neutrals transport; penetration depth ID HIGH-FIELD SIDE; PLASMA; PENETRATION; MODES AB Time-dependent transport of both plasma and neutrals is simulated during supersonic molecular beam injection (SMBI) yielding the evolution of edge plasma and neutral profiles. The SMBI model is included as a module, called trans-neut, within the original BOUT++ boundary plasma turbulence code. Results of calculations are reported for the realistic divertor geometry of the HL-2A tokamak. The model can also be used to study the effect of gas puffing. A seven-field fluid model couples plasma density, heat, and momentum transport equations together with neutral density and momentum transport equations for both molecules and atoms. Collisional interactions between molecules, atoms, and plasma include dissociation, ionization, recombination and charge-exchange effects. Sheath boundary conditions and particle recycling are applied at both the wall and the divertor plates. A localized boundary condition of constant molecular flux (product of density times speed) is applied at the outermost flux surface to model the SMBI. Steady state profiles with and without particle recycling are achieved before SMBI. During SMBI, the simulation shows that neutrals can penetrate several centimetres inside the last closed (magnetic) flux surface (LCFS). Along the SMBI path, plasma density increases while plasma temperature decreases. The molecule penetration depth depends on both the SMBI flux and the initial plasma density and temperature along its path. As the local plasma density increases substantially, molecule and atom penetration depths decrease due to their higher dissociation and ionization rates if the electron temperature does not drop too low. Dynamic poloidal spreading of the enhanced plasma density region is observed due to rapid ion flow along the magnetic field (parallel) driven by a parallel pressure asymmetry during SMBI. Profile relaxation in the radial and poloidal directions is simulated after SMBI termination, showing that the plasma returns to pre-SMBI conditions on a time scale of 60 ms. C1 [Wang, Z. H.; Xia, T. Y.] Southwestern Inst Phys, Chengdu 610041, Peoples R China. [Wang, Z. H.; Xu, X. Q.; Rognlien, T. D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Xia, T. Y.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. RP Wang, ZH (reprint author), Southwestern Inst Phys, Chengdu 610041, Peoples R China. EM zhwang@swip.ac.cn FU US- China international collaboration project; NSFC [11205053, 11261140326, 11205051]; US Department of Energy by Lawrence Livermore National Security; LLC; Lawrence Livermore National Laboratory [AC5207NA27344]; China National Magnetic Confinement Fusion Science Program [2013GB111000, 2013GB107002]; Chinese National Fusion Project [2013GB107000]; [LLNL-JRNL-644017] FX The authors wish to thank B. D. Dudson and M. V. Umansky for their contributions to BOUT++ framework and for X. R. Duan, A. K. Wang and Y. Liu for their support for US- China international collaboration project. Z.H. Wang also thanks P.W. Xi, B.Gui, I. Joseph, L.H. Yao, P. H. Diamond, W.W. Xiao, S.S. Kim, T. Rhee, J.Loizu, A. Dimits, W. Deng, J.Q. Xu, C. H. Ma for their fruitful physical discussions. This work was supported by NSFC, Grant Nos 11205053 and 11261140326, and the US Department of Energy by Lawrence Livermore National Security, LLC, Lawrence Livermore National Laboratory under Contract DE-AC5207NA27344. Z.H. Wang was also supported by China National Magnetic Confinement Fusion Science Program, Grant 2013GB111000, 2013GB107002, Chinese National Fusion Project for ITER Grant No 2013GB107000, and NSFC, Grant No 11205051. The LLNL IM release number of this manuscript is LLNL-JRNL-644017. NR 36 TC 6 Z9 6 U1 4 U2 28 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 APR PY 2014 VL 54 IS 4 AR 043019 DI 10.1088/0029-5515/54/4/043019 PG 16 WC Physics, Fluids & Plasmas SC Physics GA AE0OX UT WOS:000333666700023 ER PT J AU Kharzeev, DE Levin, EM Tuchin, K AF Kharzeev, D. E. Levin, E. M. Tuchin, K. TI Nuclear modification of the J/psi transverse momentum distributions in high energy pA and AA collisions SO NUCLEAR PHYSICS A LA English DT Article DE J/psi; Gluon saturation; Color glass condensate; Heavy ion collisions ID HEAVY-ION COLLISIONS; COLOR GLASS CONDENSATE; HIGH-DENSITY QCD; BFKL POMERON; HADRON-PRODUCTION; SATURATION; SUPPRESSION; DEPENDENCE; EVOLUTION; RAPIDITY AB We evaluate the transverse momentum spectrum of J/psi (up to semi-hard momenta) in pA and AA collisions taking into account only the initial state effects, but resumming them to all orders in alpha(2)(s)A(1/3). In our previous papers we noticed that cold nuclear matter effects alone could not explain the experimental data on rapidity and centrality dependencies of the J/psi yield in AA collisions indicating the existence of an additional suppression mechanism. Our present calculations indicate that the discrepancy persists and even increases at semi-hard transverse momenta, implying a significant final state effect on J/psi production in this kinematical domain. The QCD dipole model we employ is only marginally applicable for J/psi production at mid-rapidity at RHIC energies but its use is justified in the forward rapidity region. At LHC energies we can quantitatively evaluate the magnitude of cold nuclear matter effects in the entire kinematical region of interest. We present our calculations of J/psi transverse momentum spectra in pA and AA collisions at LHC and RHIC energies. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kharzeev, D. E.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kharzeev, D. E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Levin, E. M.] Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, HEP Dept, Sch Phys, IL-69978 Tel Aviv, Israel. [Levin, E. M.] Univ Tecn Federico Santa Maria, Dept Fis, Valparaiso, Chile. [Levin, E. M.] Ctr Cient Tecnol Valparaiso, Valparaiso, Chile. [Tuchin, K.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Tuchin, K (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. FU U.S. Department of Energy [DE-AC02-98CH10886, DE-FG-88ER41723, DE-FG02-87ER40371]; Fondecyt (Chile) [1100648] FX The work of D.K. was supported in part by the U.S. Department of Energy under Contracts No. DE-AC02-98CH10886 and DE-FG-88ER41723. K.T. was supported in part by the U.S. Department of Energy under Grant No. DE-FG02-87ER40371. This research of E.L. was supported in part by the Fondecyt (Chile) grant 1100648. NR 43 TC 8 Z9 8 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD APR PY 2014 VL 924 BP 47 EP 64 DI 10.1016/j.nuclphysa.2014.01.006 PG 18 WC Physics, Nuclear SC Physics GA AE2HQ UT WOS:000333794300003 ER PT J AU Furrer, A Podlesnyak, A Kramer, KW Embs, JP Pomjakushin, V Strassle, T AF Furrer, A. Podlesnyak, A. Kraemer, K. W. Embs, J. P. Pomjakushin, V. Straessle, Th TI Propagation of defects in doped magnetic materials of different dimensionality SO PHYSICAL REVIEW B LA English DT Article ID EXCITATIONS; SYSTEM; KMNF3 AB Defects intentionally introduced into magnetic materials often have a profound effect on the physical properties. Specifically tailored neutron spectroscopic experiments can provide detailed information on both the local exchange interactions and the local distances between themagnetic atoms around the defects. This is demonstrated for manganese dimer excitations observed for the magnetically diluted three- and two-dimensional compounds KMnx Zn1-x F-3 andK(2)Mn(x) Zn1-x F-4, respectively. The resulting local exchange interactions deviate up to 10% from the average, and the local Mn-Mn distances are found to vary stepwise with increasing internal pressure due to the Mn/Zn substitution. Our analysis qualitatively supports the theoretically predicted decay of atomic displacements according to 1/r2, 1/r, and constant (for three-, two-, and one-dimensional compounds, respectively) where r denotes the distance of the displaced atoms from the defect. C1 [Furrer, A.; Embs, J. P.; Pomjakushin, V.; Straessle, Th] Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. [Podlesnyak, A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Kraemer, K. W.] Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland. RP Furrer, A (reprint author), Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. EM albert.furrer@psi.ch RI Pomjakushin, Vladimir/J-6259-2014; Instrument, CNCS/B-4599-2012; Kramer, Karl/J-5021-2013; Podlesnyak, Andrey/A-5593-2013 OI Pomjakushin, Vladimir/0000-0003-2180-8730; Kramer, Karl/0000-0001-5524-7703; Podlesnyak, Andrey/0000-0001-9366-6319 FU Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX The assistance of D. Biner (University of Bern) in the synthesis of the samples is gratefully acknowledged. Part of this work was performed at the Swiss Spallation Neutron Source (SINQ), Paul Scherrer Institut (PSI), Villigen, Switzerland. Research at Oak Ridge National Laboratory's Spallation Neutron Source was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 20 TC 3 Z9 3 U1 0 U2 7 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 APR 1 PY 2014 VL 89 IS 14 AR 144402 DI 10.1103/PhysRevB.89.144402 PG 5 WC Physics, Condensed Matter SC Physics GA AE0OE UT WOS:000333664800003 ER PT J AU Jarlborg, T Barbiellini, B Lane, C Wang, YJ Markiewicz, RS Liu, Z Hussain, Z Bansil, A AF Jarlborg, T. Barbiellini, B. Lane, C. Wang, Yung Jui Markiewicz, R. S. Liu, Zhi Hussain, Zahid Bansil, A. TI Electronic structure and excitations in oxygen deficient CeO2-delta from DFT calculations SO PHYSICAL REVIEW B LA English DT Article ID DENSITY-FUNCTIONAL THEORY; OXIDE ELECTROCHEMICAL-CELLS; T-MATRIX APPROXIMATIONS; X-RAY PHOTOEMISSION; MUFFIN-TIN ALLOYS; 1ST PRINCIPLES; FUEL-CELL; CHEMICAL EXPANSION; CERIA SURFACES; DOPED CEO2 AB The electronic structures of supercells of CeO2-delta have been calculated within the density functional theory (DFT). The equilibrium properties such as lattice constants, bulk moduli, and magnetic moments are well reproduced by the generalized gradient approximation (GGA). Electronic excitations are simulated by robust total-energy calculations for constrained states with atomic core holes or valence holes. Pristine ceria CeO2 is found to be a nonmagnetic insulator with magnetism setting in as soon as oxygens are removed from the structure. In the ground state of defective ceria, the Ce-f majority band resides near the Fermi level but appears at about 2 eV below the Fermi level in photoemission spectroscopy experiments due to final-state effects. We also tested our computationalmethod by calculating threshold energies in Ce-M-5 andO-K x-ray absorption spectroscopy and comparing theoretical predictions with the corresponding measurements. Our result that f electrons reside near the Fermi level in the ground state of oxygen-deficient ceria is crucial for understanding the catalytic properties of CeO2 and related materials. C1 [Jarlborg, T.] Univ Geneva, DPMC, CH-1211 Geneva, Switzerland. [Barbiellini, B.; Lane, C.; Wang, Yung Jui; Markiewicz, R. S.; Bansil, A.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Wang, Yung Jui; Liu, Zhi; Hussain, Zahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Jarlborg, T (reprint author), Univ Geneva, DPMC, 24 Quai Ernest Ansermet, CH-1211 Geneva, Switzerland. RI Liu, Zhi/B-3642-2009; Barbiellini, Bernardo/K-3619-2015 OI Liu, Zhi/0000-0002-8973-6561; Barbiellini, Bernardo/0000-0002-3309-1362 FU US Department of Energy (USDOE) [DE-FG02-07ER46352]; Office of Science, Office of Basic Energy Sciences, of the USDOE [DE-AC02-05CH11231] FX We acknowledge useful discussions with Dario Marrocchelli. The work at Northeastern University is supported by the US Department of Energy (USDOE) Contract No. DE-FG02-07ER46352. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the USDOE under Contract No. DE-AC02-05CH11231. We benefited from computer time from Northeastern University's Advanced Scientific Computation Center (ASCC) and USDOEs NERSC supercomputing center. NR 89 TC 4 Z9 4 U1 8 U2 54 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 APR 1 PY 2014 VL 89 IS 16 AR 165101 DI 10.1103/PhysRevB.89.165101 PG 7 WC Physics, Condensed Matter SC Physics GA AE0OI UT WOS:000333665200001 ER PT J AU Wright, JC Bader, A Berry, LA Bonoli, PT Harvey, RW Jaeger, EF Lee, JP Schmidt, A D'Azevedo, E Faust, I Phillips, CK Valeo, E AF Wright, J. C. Bader, A. Berry, L. A. Bonoli, P. T. Harvey, R. W. Jaeger, E. F. Lee, J-P Schmidt, A. D'Azevedo, E. Faust, I. Phillips, C. K. Valeo, E. TI Time dependent evolution of RF-generated non-thermal particle distributions in fusion plasmas SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE RF; lower hybrid; ICRF; Fokker-Planck; simulation ID FULL-WAVE SIMULATIONS; LOWER-HYBRID WAVES; EXTRAPOLATION METHODS; TOROIDAL PLASMA; DIFFUSION; EQUATIONS AB We describe fully self-consistent time-dependent simulations of radio frequency (RF) generated ion distributions in the ion cyclotron range of frequencies and RF-generated electron distributions in the lower hybrid range of frequencies using combined Fokker-Planck and full wave electromagnetic field solvers. In each regime, the non-thermal particle distributions have been used in synthetic diagnostic codes to compare with diagnostic measurements from experiment, thus providing validation of the simulation capability. The computational intensive simulations require multiple full wave code runs that iterate with a Fokker-Planck code. We will discuss advanced algorithms that have been implemented to accelerate both the massively parallel full wave simulations as well as the iteration with the distribution code. A vector extrapolation method (Sidi A 2008 Comput. Math. Appl. 56) that permits Jacobian-free acceleration of the traditional fixed point iteration technique is used to reduce the number of iterations needed between the distribution and wave codes to converge to self-consistency. The computational burden of the parallel full wave codes has been reduced by using a more efficient two level parallel decomposition that improves the strong scaling of the codes and reduces the communication overhead. C1 [Wright, J. C.; Bader, A.; Bonoli, P. T.; Lee, J-P; Schmidt, A.; Faust, I.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Berry, L. A.; D'Azevedo, E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Harvey, R. W.] CompX, Del Mar, CA 92014 USA. [Jaeger, E. F.] XCEL Engn, Oak Ridge, TN 37830 USA. [Phillips, C. K.; Valeo, E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Schmidt, A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Wright, JC (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM jcwright@mit.edu FU USDOE [DE-FC02-01ER54648] FX Funding for this research was provided in part under USDOE Contract No DE-FC02-01ER54648. NR 34 TC 4 Z9 4 U1 1 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD APR PY 2014 VL 56 IS 4 DI 10.1088/0741-3335/56/4/045007 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AE0UP UT WOS:000333682000007 ER PT J AU Howe, AC Jansson, JK Malfatti, SA Tringe, SG Tiedje, JM Brown, CT AF Howe, Adina Chuang Jansson, Janet K. Malfatti, Stephanie A. Tringe, Susannah G. Tiedje, James M. Brown, C. Titus TI Tackling soil diversity with the assembly of large, complex metagenomes SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article ID DE-BRUIJN GRAPHS; GENOMES; REVEALS AB The large volumes of sequencing data required to sample deeply the microbial communities of complex environments pose new challenges to sequence analysis. De novo metagenomic assembly effectively reduces the total amount of data to be analyzed but requires substantial computational resources. We combine two preassembly filtering approaches-digital normalization and partitioning-to generate previously intractable large metagenome assemblies. Using a human-gut mock communitydataset, we demonstrate that these methods result in assemblies nearly identical to assemblies from unprocessed data. We then assemble two large soil metagenomes totaling 398 billion bp (equivalent to 88,000 Escherichia coli genomes) from matched Iowa corn and native prairie soils. The resulting assembled contigs could be used to identify molecular interactions and reaction networks of known metabolic pathways using the Kyoto Encyclopedia of Genes and Genomes Orthology database. Nonetheless, more than 60% of predicted proteins in assemblies could not be annotated against known databases. Many of these unknown proteins were abundant in both corn and prairie soils, highlighting the benefits of assembly for the discovery and characterization of novelty in soil biodiversity. Moreover, 80% of the sequencing data could not be assembled because of low coverage, suggesting that considerably more sequencing data are needed to characterize the functional content of soil. C1 [Howe, Adina Chuang; Tiedje, James M.; Brown, C. Titus] Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA. [Brown, C. Titus] Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA. [Howe, Adina Chuang; Tiedje, James M.] Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. [Jansson, Janet K.; Malfatti, Stephanie A.; Tringe, Susannah G.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Jansson, Janet K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Howe, AC (reprint author), Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA. EM howead@msu.edu; tiedjej@msu.edu OI Tringe, Susannah/0000-0001-6479-8427; Brown, C. Titus/0000-0001-6001-2677 FU US Department of Agriculture [2010-65205-20361]; National Science Foundation [IOS-0923812]; National Science Foundation Postdoctoral Fellowship Award [0905961]; Great Lakes Bioenergy Research Center (Department of Energy) [BER DE-FC02-07ER64494]; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; National Institute of Food and Agriculture FX We thank Krystle Chavarria and Regina Lamendella for help in extracting DNA from Great Prairie soil samples; Fan Yang for helpful comments on this paper; Eddy Rubin and Tijana Glavina del Rio at the Department of Energy Joint Genome Institute (DOE JGI); and John Johnson and Eric McDonald at the Michigan State University High Performance Computing Center. This project was supported by Agriculture and Food Research Initiative Competitive Grant 2010-65205-20361 from the US Department of Agriculture and by National Institute of Food and Agriculture and National Science Foundation Grant IOS-0923812 (both to C.T.B.). A.C.H. was supported by National Science Foundation Postdoctoral Fellowship Award 0905961 and the Great Lakes Bioenergy Research Center (Department of Energy BER DE-FC02-07ER64494). The work conducted by the DOE JGI is supported by the Office of Science of the US Department of Energy under Contract DE-AC02-05CH11231. NR 21 TC 77 Z9 77 U1 5 U2 100 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 APR 1 PY 2014 VL 111 IS 13 BP 4904 EP 4909 DI 10.1073/pnas.1402564111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AD9IX UT WOS:000333579700056 PM 24632729 ER PT J AU Lin, SH Milosevic, MV Covaci, L Janko, B Peeters, FM AF Lin, Shi-Hsin Milosevic, M. V. Covaci, L. Janko, B. Peeters, F. M. TI Quantum rotor in nanostructured superconductors SO SCIENTIFIC REPORTS LA English DT Article ID II SUPERCONDUCTOR; VORTEX LINE; SUPERFLUIDITY; SPLINES; PHYSICS AB Despite its apparent simplicity, the idealized model of a particle constrained to move on a circle has intriguing dynamic properties and immediate experimental relevance. While a rotor is rather easy to set up classically, the quantum regime is harder to realize and investigate. Here we demonstrate that the quantum dynamics of quasiparticles in certain classes of nanostructured superconductors can be mapped onto a quantum rotor. Furthermore, we provide a straightforward experimental procedure to convert this nanoscale superconducting rotor into a regular or inverted quantum pendulum with tunable gravitational field, inertia, and drive. We detail how these novel states can be detected via scanning tunneling spectroscopy. The proposed experiments will provide insights into quantum dynamics and quantum chaos. C1 [Lin, Shi-Hsin; Janko, B.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Lin, Shi-Hsin; Milosevic, M. V.; Covaci, L.; Peeters, F. M.] Univ Antwerp, Dept Fys, B-2020 Antwerp, Belgium. [Janko, B.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Janko, B (reprint author), Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. EM bjanko@nd.edu RI Milosevic, Milorad/H-9393-2012; Covaci, Lucian/B-6493-2009; CMT, UAntwerpen Group/A-5523-2016 OI Covaci, Lucian/0000-0001-9755-7443; FU Flemish Science Foundation (FWO-Vl); U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-Eng-38]; US National Science Foundation via NSF-NIRT [ECS-0609249] FX The work was supported by the Flemish Science Foundation (FWO-Vl), the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract W-31-109-Eng-38, and the US National Science Foundation via NSF-NIRT ECS-0609249. NR 36 TC 1 Z9 1 U1 1 U2 12 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 APR 1 PY 2014 VL 4 AR 4542 DI 10.1038/srep04542 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AD8ZX UT WOS:000333555300007 PM 24686241 ER PT J AU Yang, Y Sun, CJ Ren, Y Hao, SJ Jiang, DQ AF Yang, Ying Sun, Chengjun Ren, Yang Hao, Shijie Jiang, Daqiang TI New route toward building active ruthenium nanoparticles on ordered mesoporous carbons with extremely high stability SO SCIENTIFIC REPORTS LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; PT-RU NANOPARTICLES; GAMMA-VALEROLACTONE; LEVULINIC ACID; CATALYTIC CONVERSION; HYDROGENATION; OXIDATION; CELLULOSE; OXOVANADIUM(IV); HYDROGENOLYSIS AB Creating highly active and stable metal catalysts is a persistent goal in the field of heterogeneous catalysis. However, a real catalyst can rarely achieve both of these qualities simultaneously due to limitations in the design of the active site and support. One method to circumvent this problem is to fabricate firmly attached metal species onto the voids of a mesoporous support formed simultaneously. In this study, we developed a new type of ruthenium catalyst that was firmly confined by ordered mesoporous carbons through the fabrication of a cubic Ia3d chitosan-ruthenium-silica mesophase before pyrolysis and silica removal. This facile method generates fine ruthenium nanoparticles (ca. 1.7 nm) that are homogeneously dispersed on a mesoporous carbonaceous framework. This ruthenium catalyst can be recycled 22 times without any loss of reactivity, showing the highest stability of any metal catalysts; this catalyst displays a high activity (23.3 mol(LA)h(-1)g(metal)(-1)) during the catalytic hydrogenation of levulinic acid (LA) when the metal loading is 6.1 wt%. Even at an ultralow loading (0.3 wt%), this catalyst still outperforms the most active known Ru/C catalyst. This work reveals new possibilities for designing and fabricating highly stable and active metal catalysts by creating metal sites and mesoporous supports simultaneously. C1 [Yang, Ying; Hao, Shijie; Jiang, Daqiang] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China. [Sun, Chengjun; Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Yang, Y (reprint author), China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China. EM catalyticscience@163.com RI Jiang, Daqiang /G-5511-2014 FU NSERC; U. S. DOE [DE-AC02-06CH11357]; National Natural Science Foundation of China [21303229]; Science Foundation of China University of Petroleum, Beijing [2462013YJRC018, 2462013YJRC005] FX PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy - Basic Energy Sciences, a Major Resources Support grant from NSERC, the University of Washington, the Canadian Light Source and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U. S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U. S. DOE under Contract No. DE-AC02-06CH11357. Financial supports for this research work from the National Natural Science Foundation of China (21303229), and Science Foundation of China University of Petroleum, Beijing (2462013YJRC018 and 2462013YJRC005) are also acknowledged. NR 34 TC 7 Z9 7 U1 7 U2 84 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 APR 1 PY 2014 VL 4 AR 4540 DI 10.1038/srep04540 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AD8ZX UT WOS:000333555300005 PM 24687047 ER PT J AU Hoffmann, S Lee, ES Clavero, C AF Hoffmann, Sabine Lee, Eleanor S. Clavero, Cesar TI Examination of the technical potential of near-infrared switching thermochromic windows for commercial building applications SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Thermochromic; Windows; Solar control; Day lighting; Building energy efficiency ID THIN-FILMS; VO2; TEMPERATURE AB Current thermochromic windows modulate solar transmission primarily within the visible range, resulting in reduced space-conditioning energy use but also reduced daylight, thereby increasing lighting energy use compared to conventional static, near-infrared selective, low-emittance windows. To better understand the energy savings potential of improved thermochromic devices, a hypothetical near-infrared switching thermochromic glazing was defined based on guidelines provided by the material science community. EnergyPlus simulations were conducted on a prototypical large office building and a detailed analysis was performed showing the progression from switching characteristics to net window heat flow and perimeter zone loads and then to perimeter zone heating, ventilation, and air-conditioning (HVAC) and lighting energy use for a mixed hot/cold climate and a hot, humid climate in the US. When a relatively high daylight transmission is maintained when switched (Tsol=0.10-0.50 and Tvis=0.30-0.60) and if coupled with a low-e inboard glazing layer (e=0.04), the hypothetical thermochromic window with a low critical switching temperature range (14-20 degrees C) achieved reductions in total site annual energy use of 14.0-21.1 kW h/m(2)-floor-yr or 12-14%(1) for moderate- to large-area windows (WWR >= 0.30) in Chicago and 9.8-18.6 kW h/m(2)-floor-yr or 10-17%(2) for WWR >= 0.45 in Houston compared to an unshaded spectrally-selective, low-e window (window E1) in south-, east-, and west-facing perimeter zones. If this hypothetical thermochromic window can be offered at costs that are competitive to conventional low-e windows and meet esthetic requirements defined by the building industry and end users, then the technology is likely to be a viable energy-efficiency option for internal load dominated commercial buildings. Published by Elsevier B.V. C1 [Hoffmann, Sabine; Lee, Eleanor S.; Clavero, Cesar] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Bldg Technol & Urban Syst Dept, Berkeley, CA 94720 USA. RP Lee, ES (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Bldg Technol & Urban Syst Dept, Mailstop 90-3111,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM eslee@lbl.gov RI Clavero, Cesar/C-4391-2008 OI Clavero, Cesar/0000-0001-6665-3141 FU Office of Building Technology, State and Community Programs, Office of Building Research and Standards of the U.S. Department of Energy [DE-AC02-05CH11231]; California Energy Commission FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State and Community Programs, Office of Building Research and Standards of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231 and by the California Energy Commission through its Public Interest Energy Research (PIER) Program on behalf of the citizens of California. NR 28 TC 16 Z9 16 U1 2 U2 57 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD APR PY 2014 VL 123 BP 65 EP 80 DI 10.1016/j.solmat.2013.12.017 PG 16 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AD8BM UT WOS:000333491500009 ER PT J AU Carter, NJ Yang, WC Miskin, CK Hages, CJ Stach, EA Agrawal, R AF Carter, Nathaniel J. Yang, Wei-Chang Miskin, Caleb K. Hages, Charles J. Stach, Eric A. Agrawal, Rakesh TI Cu2ZnSn(S,Se)(4) solar cells from inks of heterogeneous Cu-Zn-Sn-S nanocrystals SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE CZTSSe; Earth-abundant; Selenization; Solar cells; Solution processing ID CU2ZNSNS4 NANOCRYSTALS; FABRICATION AB The solution-based synthesis of quaternary Cu2ZnSnS4 (CZTS) nanocrystals and further processing into a homogeneous photovoltaic absorber film prove challenging due to the stability of binary and ternary chalcogenide compounds comprised of Cu, Zn, and Sn cations. In this contribution, CZTS nanocrystals are synthesized according to a previously reported synthesis recipe yielding devices with reported efficiencies as high as 7.2%. The particles are separated by size into two populations exhibiting size-correlated composition variations. This observation highlights the challenges in synthesizing quaternary CL IS nanoparticles with interparticle composition uniformity. Films of particles from each population are sintered in a selenium atmosphere and found to exhibit a notable degree of phase segregation in the final film, while a mixture of particles from both populations converts into a relatively homogeneous film upon selenization. Devices fabricated from the two particle populations separately as well as the mixture of particles exhibit varying degrees of performance, with the mixed particle cells achieving total area efficiencies as high as 7.9%. A modified synthesis recipe producing CZTS particles with narrower composition variations is shown to produce devices with improved efficiencies up to 8.4%. Preliminary conclusions regarding the effect of nanocrystal heterogeneity on film sintering and device performance are presented. (C) 2014 Elsevier B.V. All rights reserved. C1 [Carter, Nathaniel J.; Miskin, Caleb K.; Hages, Charles J.; Agrawal, Rakesh] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Yang, Wei-Chang] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Agrawal, R (reprint author), Purdue Univ, Sch Chem Engn, 480 Stadium Mall Dr, W Lafayette, IN 47907 USA. EM carter50@purdue.edu; yang215@purdue.edu; cmiskin@purdue.edu; chages@purdue.edu; estach@bnl.gov; agrawalr@purdue.edu RI Stach, Eric/D-8545-2011; Hages, Charles/J-6074-2015 OI Stach, Eric/0000-0002-3366-2153; Hages, Charles/0000-0003-4054-1218 FU NSF Solar Economy IGERT [DGE-0903670]; DOE [DE-EE0005328, DE-EE0003179]; NSF [DGE-0833366]; U.S. DOE Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors would like to acknowledge Brian Graeser and Kevin Brew for their assistance and expertise in preparing the Mo-coated soda lime glass as well as Erik Sheets for capturing the SEM images in Fig. 4. Funding for this work was provided by the NSF Solar Economy IGERT (award #DGE-0903670) and DOE Sun Shot award #DE-EE0005328 as well as DOE award #DE-EE0003179 to establish the Purdue Solar Energy Utilization Laboratory (PSEUL), where the presented Raman analysis and device performance characterization were performed. CKM acknowledges support from NSF Grant no. DGE-0833366. EAS acknowledges support to the Center for Functional Nanomaterials, Brookhaven National Laboratory by the U.S. DOE Office of Basic Energy Sciences (Contract no. DE-AC02-98CH10886). NR 25 TC 23 Z9 23 U1 4 U2 93 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD APR PY 2014 VL 123 BP 189 EP 196 DI 10.1016/j.solmat.2014.01.016 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AD8BM UT WOS:000333491500025 ER PT J AU Harnish, RA Sharma, R McMichael, GA Langshaw, RB Pearsons, TN AF Harnish, Ryan A. Sharma, Rishi McMichael, Geoffrey A. Langshaw, Russell B. Pearsons, Todd N. TI Effect of hydroelectric dam operations on the freshwater productivity of a Columbia River fall Chinook salmon population SO CANADIAN JOURNAL OF FISHERIES AND AQUATIC SCIENCES LA English DT Article ID SMALLMOUTH BASS; ONCORHYNCHUS-TSHAWYTSCHA; PACIFIC-NORTHWEST; SPAWNING HABITAT; DEWATERED REDDS; SURVIVAL RATES; RAINBOW-TROUT; FLOW; STREAM; MODEL AB Altering the timing and magnitude of discharge fluctuations can minimize the adverse effects of operating hydroelectric dams on the productivity of downstream salmon populations. Hydroelectric operations at Priest Rapids Dam during the mid-1970s resulted in dewatering of fall Chinook salmon (Oncorhynchus tshawytscha) redds, causing mortality of intragravel life stages. Since then, a series of operational constraints have been implemented at Priest Rapids Dam to reduce the effects of discharge fluctuations on the population of fall Chinook salmon that spawns and rears downstream from the dam. Initial protections that focused on preventing redd dewatering were subsequently increased to include postemergence life stages. We used stock-recruit analyses to identify changes to the population's freshwater productivity that occurred over a 30-year period and coincided with changes to dam operations. We observed a 217% increase in productivity that corresponded with constraints enacted to prevent redd dewatering and an additional 130% increase that coincided with enactment of constraints to limit stranding and entrapment of juveniles. The information gained from this study may be used to guide efforts elsewhere to mitigate the effects of hydroelectric dam operations on downstream fish populations. C1 [Harnish, Ryan A.; McMichael, Geoffrey A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Sharma, Rishi] Columbia River Intertribal Fish Commiss, Portland, OR 97232 USA. [Langshaw, Russell B.; Pearsons, Todd N.] Publ Util Dist 2 Grant Cty, Ephrata, WA 98823 USA. RP Harnish, RA (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K6-85, Richland, WA 99352 USA. EM Ryan.Harnish@pnnl.gov NR 64 TC 7 Z9 7 U1 9 U2 53 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA SN 0706-652X EI 1205-7533 J9 CAN J FISH AQUAT SCI JI Can. J. Fish. Aquat. Sci. PD APR PY 2014 VL 71 IS 4 BP 602 EP 615 DI 10.1139/cjfas-2013-0276 PG 14 WC Fisheries; Marine & Freshwater Biology SC Fisheries; Marine & Freshwater Biology GA AD7AD UT WOS:000333412000011 ER PT J AU Ding, SY Zhao, S Zeng, YN AF Ding, Shi-You Zhao, Shuai Zeng, Yining TI Size, shape, and arrangement of native cellulose fibrils in maize cell walls SO CELLULOSE LA English DT Article DE Cellulose elementary fibril (CEF); Macrofibril; Microfibril; Plant cell wall; Atomic Force Microscopy ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; CRYSTAL-STRUCTURE; VISUALIZATION; MICROFIBRILS; SYNTHASE; ULTRASTRUCTURE; BIOSYNTHESIS; MICROTUBULES AB Higher plant cell walls are the major source of the cellulose used in a variety of industries. Cellulose in plant forms nanoscale fibrils that are embedded in non-cellulosic matrix polymers in the cell walls. The morphological features of plant cellulose fibrils such as the size, shape, and arrangement, are still poorly understood due to its inhomogeneous nature and the limited resolution of the characterization techniques used. Here, we sketch out a proposed model of plant cellulose fibril and its arrangement that is based primarily on review of direct visualizations of different types of cell walls in maize using atomic force microscopy at sub-nanometer scale, and is also inspired by recent advances in understanding of cellulose biosynthesis and biodegradation. We propose that the principal unit of plant cellulose fibril is a 36-chain cellulose elementary fibril (CEF), which is hexagonally shaped and 3.2 x 5.3 nm in cross-section. Macrofibrils are ribbon-like bundles containing variable numbers of CEFs associated through their hydrophilic faces. As the cell expands and/or elongates, large macrofibril may split to become smaller bundles or individual CEFs, which are simultaneously coated with hemicelluloses to form microfibrils of variable sizes during biosynthesis. The microfibrils that contain one CEF are arranged nearly parallel, and the hydrophobic faces of the CEF are perpendicular to the cell wall surface. Structural disordering of the CEF may occur during plant development while cells expand, elongate, dehydrate, and die, as well as during the processing to prepare cellulose materials. C1 [Ding, Shi-You; Zhao, Shuai; Zeng, Yining] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Ding, SY (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. EM shi.you.ding@nrel.gov FU BioEnergy Science Center, a DOE Bioenergy Research Center; Genomic Science Program [ER65258]; Office of Biological and Environmental Research in the DOE Office of Science FX We acknowledge research support from the BioEnergy Science Center, a DOE Bioenergy Research Center, and the Genomic Science Program (ER65258), both supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 25 TC 16 Z9 16 U1 5 U2 50 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 863 EP 871 DI 10.1007/s10570-013-0147-5 PG 9 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800002 ER PT J AU Pingali, SV O'Neill, HM Nishiyama, Y He, LL Melnichenko, YB Urban, V Petridis, L Davison, B Langan, P AF Pingali, Sai Venkatesh O'Neill, Hugh M. Nishiyama, Yoshiharu He, Lilin Melnichenko, Yuri B. Urban, Volker Petridis, Loukas Davison, Brian Langan, Paul TI Morphological changes in the cellulose and lignin components of biomass occur at different stages during steam pretreatment SO CELLULOSE LA English DT Article DE Neutron scattering; Steam pretreatment; Cellulose; Lignin; Biomass; Biofuels ID IONIC LIQUID AB Morphological changes to the different components of lignocellulosic biomass were observed as they occurred during steam pretreatment by placing a pressure reaction cell in a neutron beam and collecting time-resolved neutron scattering data. Changes to cellulose morphology occurred mainly in the heating phase, whereas changes in lignin morphology occurred mainly in the holding and cooling phases. During the heating stage, water is irreversibly expelled from cellulose microfibrils as the elementary fibrils coalesce. During the holding phase lignin aggregates begin to appear and they increase in size most noticeably during the cooling phase. This experiment demonstrates the unique information that in situ small angle neutron scattering studies of pretreatment can provide. This approach could be useful in optimizing the heating, holding and cooling stages of pretreatments to allow the exact size and nature of lignin aggregates to be controlled in order to enhance enzyme accessibility to cellulose and therefore the efficiency of biomass conversion. C1 [Pingali, Sai Venkatesh; O'Neill, Hugh M.; He, Lilin; Melnichenko, Yuri B.; Urban, Volker; Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Pingali, Sai Venkatesh; O'Neill, Hugh M.; Urban, Volker; Langan, Paul] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. [Nishiyama, Yoshiharu] Ctr Rech Macromol Vegetales CERMAV CNRS, F-38041 Grenoble 9, France. [Petridis, Loukas; Davison, Brian] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Pingali, SV (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. EM pingalis@ornl.gov RI Nishiyama, Yoshiharu/A-3492-2012; Davison, Brian/D-7617-2013; Langan, Paul/N-5237-2015; Urban, Volker/N-5361-2015; Petridis, Loukas/B-3457-2009; OI O'Neill, Hugh/0000-0003-2966-5527; Nishiyama, Yoshiharu/0000-0003-4069-2307; Davison, Brian/0000-0002-7408-3609; Langan, Paul/0000-0002-0247-3122; Urban, Volker/0000-0002-7962-3408; Petridis, Loukas/0000-0001-8569-060X; Pingali, Sai Venkatesh/0000-0001-7961-4176; He, Lilin/0000-0002-9560-8101 FU Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy [FWP ERKP752]; Office of Biological and Environmental Research; U.S. Department of Energy [DE-AC05-00OR22725]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX This research is funded by the Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy, under FWP ERKP752. The Center for Structural Molecular Biology (CSMB) and the Bio-SANS beam line is supported by the Office of Biological and Environmental Research, using facilities supported by the U.S. Department of Energy, managed by UT-Battelle, LLC under contract No. DE-AC05-00OR22725. This Research on Bio-SANS and GP-SANS at Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 8 TC 12 Z9 12 U1 5 U2 58 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 873 EP 878 DI 10.1007/s10570-013-0162-6 PG 6 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800003 ER PT J AU He, JH Pingali, SV Chundawat, SPS Pack, A Jones, AD Langan, P Davison, BH Urban, V Evans, B O'Neill, H AF He, Junhong Pingali, Sai Venkatesh Chundawat, Shishir P. S. Pack, Angela Jones, A. Daniel Langan, Paul Davison, Brian H. Urban, Volker Evans, Barbara O'Neill, Hugh TI Controlled incorporation of deuterium into bacterial cellulose SO CELLULOSE LA English DT Article DE Cellulose; Deuteration; Labeling; Small-angle neutron scattering; Mass spectrometry ID ACETOBACTER-XYLINUM; MICROBIAL CELLULOSE; HYDROGEN-BONDS; BIOSYNTHESIS; GLUCOSE; STRAINS; GENES; MEDIA; SANS; NMR AB Isotopic enrichment has been widely used for investigating the structural and dynamic properties of biomacromolecules to provide information that cannot be carried out with molecules composed of natural abundance isotopes. A media formulation for controlled incorporation of deuterium in bacterial cellulose synthesized by Gluconacetobacter xylinus subsp. sucrofermentans is reported. The purified cellulose was characterized using Fourier Transform Infra-Red spectrophotometry and mass spectrometry which revealed that the level of deuterium incorporation in the perdeuterated cellulose was greater than 90 %. Small-angle neutron scattering analysis demonstrated that the overall structure of the cellulose was unaffected by the substitution of deuterium for hydrogen. In addition, by varying the amount of D-glycerol in the media it was possible to vary the scattering length density of the deuterated cellulose. A large disk model was used to fit the curves of bacterial cellulose grown using 0 and 100 % D-Glycerol yielding a lower bound to the disk radii, R (min) = 1,132 +/- A 6 and 1,154 +/- A 3 a"<< and disk thickness, T = 128 +/- A 1 and 83 +/- A 1 a"<< for the protiated and deuterated forms of the bacterial cellulose, respectively. This agrees well with the scanning electron microscopy analysis which revealed stacked sheets in the cellulose pellicles. Controlled incorporation of deuterium into cellulose will enable new types of experiments using techniques such as neutron scattering to reveal information about the structure and dynamics of cellulose and its interactions with proteins and other (bio) polymers. C1 [He, Junhong; Pingali, Sai Venkatesh; Langan, Paul; Urban, Volker; O'Neill, Hugh] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Chundawat, Shishir P. S.] Michigan State Univ, E Lansing, MI 48824 USA. [Pack, Angela; Evans, Barbara] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Jones, A. Daniel] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Jones, A. Daniel] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Davison, Brian H.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP O'Neill, H (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. EM oneillhm@ornl.gov RI Davison, Brian/D-7617-2013; Langan, Paul/N-5237-2015; Urban, Volker/N-5361-2015; OI Davison, Brian/0000-0002-7408-3609; Langan, Paul/0000-0002-0247-3122; Urban, Volker/0000-0002-7962-3408; Pingali, Sai Venkatesh/0000-0001-7961-4176; Jones, A. Daniel/0000-0002-7408-6690; O'Neill, Hugh/0000-0003-2966-5527; Chundawat, Shishir/0000-0003-3677-6735 FU Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy [FWP ERKP752]; Office of Biological and Environmental Research U.S. Department of Energy [ERKP291]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE); U.S. DOE [DE-AC05-00OR22725]; DOE Great Lakes Bioenergy Research Center [DE-FC02-07ER64494]; Michigan AgBioResearch FX This research is funded by the Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy, under FWP ERKP752. The Center for Structural Molecular Biology (Project ERKP291) and the Bio-SANS beam line is supported by the Office of Biological and Environmental Research U.S. Department of Energy. Research at the Spallation Neutron Source and High Flux Isotope Reactor at Oak Ridge National Laboratory (ORNL) are supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). ORNL is managed by UT Battelle, LLC, for the U.S. DOE under Contract No. DE-AC05-00OR22725. SPSC acknowledges support from the DOE Great Lakes Bioenergy Research Center (DE-FC02-07ER64494) and Prof. Bruce Dale from Michigan State University. We appreciate support from the Michigan State University Mass Spectrometry and Metabolomics Core for LC-MS method development and execution. ADJ acknowledges support from Michigan AgBioResearch. NR 41 TC 9 Z9 9 U1 2 U2 43 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 927 EP 936 DI 10.1007/s10570-013-0067-4 PG 10 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800008 ER PT J AU Lian, P Guo, HB Smith, JC Wei, DQ Guo, H AF Lian, Peng Guo, Hao-Bo Smith, Jeremy C. Wei, Dong-Qing Guo, Hong TI Catalytic mechanism and origin of high activity of cellulase TmCel12A at high temperature: a quantum mechanical/molecular mechanical study SO CELLULOSE LA English DT Article DE Cellulase; Catalytic mechanism; Quantum mechanical/molecular mechanical (QM/MM); Molecular dynamics (MD) ID SERINE-CARBOXYL PEPTIDASE; VITRO DNA RECOMBINATION; SCC-DFTB; THERMOTOGA-MARITIMA; QM/MM SIMULATIONS; TIGHT-BINDING; CLOSTRIDIUM-CELLULOVORANS; THERMOSTABLE ENZYMES; TETRAHEDRAL ADDUCT; TRANSITION-STATE AB Understanding the factors that determine the catalytic efficiency of cellulases is of considerable importance in cellulosic ethanol production, especially at high temperature. The cellulase 12A from the hyperthermophile Thermotoga maritima (TmCel12A) is a possible candidate for accelerating the rate of hydrolysis via temperature elevation up to as high as 95 A degrees C. However, the details of the catalytic mechanism and origin of the activity of TmCel12A at high temperature have not been well studied. Here, the enzyme-catalyzed reaction is explored using free energy simulations (potential of mean force) with umbrella sampling and quantum mechanical/molecular mechanical (SCC-DFTB/MM) potential at both relatively low (37 A degrees C) and high (85 A degrees C) temperatures. The free energy barriers for glycosylation and deglycosylation are calculated to be 22.5 +/- A 0.4 and 24.5 +/- A 0.7 kcal center dot A mol(-1) at 85 A degrees C, respectively. The barrier for deglycosylation is found to decrease with increasing temperature or as a result of the Y61 -> G mutation, consistent with experimental observations. The transition state for glycosylation and deglycosylation obtained from the simulations is in an oxocarbonium state with the -1 glucose ring having an E-3 envelop (or H-4(3) half-chair) conformation. A unique characteristic of the TmCel12A structure seems to be the existence of a stable moiety that may play a role in "holding" cellulose at the binding site with the correct orientation for the reaction even at 85 A degrees C. This stable moiety (comprising hydrogen-bonded E116, E134, E227 and an active-site water molecule) may be one of the important factors for the relatively high activity of TmCel12A at high temperature. C1 [Lian, Peng; Wei, Dong-Qing] Shanghai Jiao Tong Univ, Coll Life Sci & Biotechnol, State Key Lab Microbial Metab, Shanghai 200240, Peoples R China. [Guo, Hao-Bo; Smith, Jeremy C.; Guo, Hong] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Guo, Hao-Bo; Smith, Jeremy C.; Guo, Hong] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. RP Wei, DQ (reprint author), Shanghai Jiao Tong Univ, Coll Life Sci & Biotechnol, State Key Lab Microbial Metab, Shanghai 200240, Peoples R China. EM dqwei@sjtu.edu.cn; hguo1@utk.edu RI smith, jeremy/B-7287-2012; Guo, Hao-Bo/B-7486-2009; Lian, Peng/L-3862-2013 OI smith, jeremy/0000-0002-2978-3227; Guo, Hao-Bo/0000-0003-1321-1758; FU National Science Foundation [0817940]; National High-Tech R&D Program (863 Program) [2012AA020307]; National Basic Research Program of China (973 Program) [2012CB721000]; Key Project of Shanghai Science and Technology Commission [11JC1406400]; Shanghai Jiao Tong University; Bioenergy Science Center; Biological and Environmental Research in the Office of Science of the U.S. Department of Energy FX This work is supported in part by the National Science Foundation Award (Grant No. 0817940 to H. G.) and in part by grants from the National High-Tech R&D Program (863 Program Contract No. 2012AA020307 to D. Q. W.), the National Basic Research Program of China (973 Program) (Contract No. 2012CB721000 to D. Q. W.), and the Key Project of Shanghai Science and Technology Commission (Contract No. 11JC1406400 to D. Q. W.). P. L. is supported by a fellowship from Shanghai Jiao Tong University. JCS acknowledges support from the Bioenergy Science Center, funded by Biological and Environmental Research in the Office of Science of the U.S. Department of Energy. NR 66 TC 3 Z9 3 U1 1 U2 27 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 937 EP 949 DI 10.1007/s10570-013-0011-7 PG 13 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800009 ER PT J AU Alekozai, EM GhattyVenkataKrishna, PK Uberbacher, EC Crowley, MF Smith, JC Cheng, XL AF Alekozai, Emal M. GhattyVenkataKrishna, Pavan K. Uberbacher, Edward C. Crowley, Michael F. Smith, Jeremy C. Cheng, Xiaolin TI Simulation analysis of the cellulase Cel7A carbohydrate binding module on the surface of the cellulose I beta SO CELLULOSE LA English DT Article DE Cellulose; Cellulase; Brownian dynamics; Molecular dynamics; Carbohydrate binding; Surface diffusion ID MOLECULAR-DYNAMICS SIMULATIONS; REESEI CELLOBIOHYDROLASE-I; TRICHODERMA-REESEI; MICROCRYSTALLINE CELLULOSE; CRYSTALLINE CELLULOSE; BROWNIAN DYNAMICS; ENZYMATIC DECONSTRUCTION; LIMITED PROTEOLYSIS; BIOLOGICAL-SYSTEMS; PROTEIN SOLUTIONS AB The Family 7 cellobiohydrolase (Cel7A) from Trichoderma reesei consists of a carbohydrate-binding module (CBM) joined by a linker to a catalytic domain. Cellulose hydrolysis is limited by the accessibility of Cel7A to crystalline substrates, which is perceived to be primarily mediated by the CBM. Here, the binding of CBM to the cellulose I beta fiber is characterized by combined Brownian dynamics (BD) and molecular dynamics (MD) simulations. The results confirm that CBM prefers to dock to the hydrophobic than to the hydrophilic fiber faces. Both electrostatic (ES) and van der Waals (VDW) interactions are required for achieving the observed binding preference. The VDW interactions play a more important role in stabilizing the CBM-fiber binding, whereas the ES interactions contribute through the formation of a number of hydrogen bonds between the CBM and the fiber. At long distances, an ES steering effect is also observed that tends to align the CBM in an antiparallel manner relative to the fiber axis. Furthermore, the MD results reveal hindered diffusion of the CBM on all fiber surfaces. The binding of the CBM to the hydrophobic surfaces is found to involve partial dewetting at the CBM-fiber interface coupled with local structural arrangements of the protein. The present simulation results complement and rationalize a large body of previous work and provide detailed insights into the mechanism of the CBM-cellulose fiber interactions. C1 [Alekozai, Emal M.] Heidelberg Univ, Interdisciplinary Ctr Sci Comp, D-69120 Heidelberg, Germany. [Alekozai, Emal M.; Smith, Jeremy C.; Cheng, Xiaolin] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA. [GhattyVenkataKrishna, Pavan K.; Uberbacher, Edward C.] Oak Ridge Natl Lab, Computat Biol & Bioinformat Grp, Oak Ridge, TN 37831 USA. [GhattyVenkataKrishna, Pavan K.; Uberbacher, Edward C.; Crowley, Michael F.; Smith, Jeremy C.; Cheng, Xiaolin] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. [Crowley, Michael F.] Natl Renewable Energy Lab, Renewable & Sustainable Energy Inst, Golden, CO 80401 USA. RP Cheng, XL (reprint author), Oak Ridge Natl Lab, BioEnergy Sci Ctr, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM chengx@ornl.gov RI smith, jeremy/B-7287-2012 OI smith, jeremy/0000-0002-2978-3227 FU Genomic Science Program, Office of Biological and Environmental Research, US Department of Energy [FWP ERKP752]; HGS MathComp, University of Heidelberg; NISC [TG-MCA08X032]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX E.A. thanks Razif R. Gabdoulline, Lipi Thukral, Ricky B. Nellas, Tomasz Berezniak and Mithun Biswas for useful discussions. This work was supported by the Genomic Science Program, Office of Biological and Environmental Research, US Department of Energy, under Contract FWP ERKP752. E.A. was supported by the HGS MathComp, University of Heidelberg. For computational resources we acknowledge the bwGRiD (http://www.bw-grid. de), the National Science Foundation through TeraGrid resources provided by NISC under grant number TG-MCA08X032, and 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 98 TC 8 Z9 8 U1 8 U2 34 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 951 EP 971 DI 10.1007/s10570-013-0026-0 PG 21 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800010 ER PT J AU Mostofian, B Smith, JC Cheng, XL AF Mostofian, Barmak Smith, Jeremy C. Cheng, Xiaolin TI Simulation of a cellulose fiber in ionic liquid suggests a synergistic approach to dissolution SO CELLULOSE LA English DT Article DE Cellulose; Ionic liquids; Pretreatment; MD simulation ID HYDROGEN-BONDING SYSTEM; PARTICLE MESH EWALD; SYNCHROTRON X-RAY; MOLECULAR-DYNAMICS; ENZYMATIC-HYDROLYSIS; BIOMASS RECALCITRANCE; CRYSTALLINE CELLULOSE; SOLVATION STRUCTURES; COMPUTER-SIMULATION; FORCE-FIELD AB Ionic liquids dissolve cellulose in a more efficient and environmentally acceptable way than conventional methods in aqueous solution. An understanding of how ionic liquids act on cellulose is essential for improving pretreatment conditions and thus detailed knowledge of the interactions between the cations, anions and cellulose is necessary. Here, to explore ionic liquid effects, we perform all-atom molecular dynamics simulations of a cellulose microfibril in 1-butyl-3-methylimidazolium chloride and analyze site-site interactions and cation orientations at the solute-solvent interface. The results indicate that Cl- anions predominantly interact with cellulose surface hydroxyl groups but with differences between chains of neighboring cellulose layers, referred to as center and origin chains; Cl- binds to C3-hydroxyls on the origin chains but to C2- and C6-hydroxyls on the center chains, thus resulting in a distinct pattern along glucan chains of the hydrophilic fiber surfaces. In particular, Cl- binding disrupts intrachain O3H-O5 hydrogen bonds on the origin chains but not those on the center chains. In contrast, Bmim(+) cations stack preferentially on the hydrophobic cellulose surface, governed by non-polar interactions with cellulose. Complementary to the polar interactions between Cl- and cellulose, the stacking interaction between solvent cation rings and cellulose pyranose rings can compensate the interaction between stacked cellulose layers, thus stabilizing detached cellulose chains. Moreover, a frequently occurring intercalation of Bmim(+) on the hydrophilic surface is observed, which by separating cellulose layers can also potentially facilitate the initiation of fiber disintegration. The results provide a molecular description why ionic liquids are ideal cellulose solvents, the concerted action of anions and cations on the hydrophobic and hydrophilic surfaces being key to the efficient dissolution of the amphiphilic carbohydrate. C1 [Mostofian, Barmak; Smith, Jeremy C.; Cheng, Xiaolin] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37830 USA. [Mostofian, Barmak] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN 37996 USA. [Smith, Jeremy C.; Cheng, Xiaolin] Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Cheng, XL (reprint author), Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37830 USA. EM chengx@ornl.gov RI smith, jeremy/B-7287-2012 OI smith, jeremy/0000-0002-2978-3227 FU BioEnergy Science Center, a DOE Bioenergy Research Center; Office of Biological and Environmental Research in the DOE Office of Science; National Science Foundation [TG-MCA08X032] FX This research was funded from the BioEnergy Science Center, a DOE Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. It was also supported in part by the National Science Foundation through XSEDE resources provided by the National Institute of Computational Sciences under grant number TG-MCA08X032. NR 74 TC 13 Z9 13 U1 9 U2 86 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 983 EP 997 DI 10.1007/s10570-013-0018-0 PG 15 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800012 ER PT J AU Sawada, D Ogawa, Y Kimura, S Nishiyama, Y Langan, P Wada, M AF Sawada, Daisuke Ogawa, Yu Kimura, Satoshi Nishiyama, Yoshiharu Langan, Paul Wada, Masahisa TI Solid-solvent molecular interactions observed in crystal structures of beta-chitin complexes SO CELLULOSE LA English DT Article DE Structure analysis; beta-chitin; Crystallosolvates; Molecular interaction; Hydrogen bond; Hydroxymethyl group ID NEUTRON FIBER DIFFRACTION; SYNCHROTRON X-RAY; HYDROGEN-BONDING SYSTEM; ALPHA-CHITIN; ALIPHATIC-AMINES; CELLULOSE-II; RESOLUTION; DEUTERATION; AMMONIA AB Three beta-chitin structures [anhydrous, di-hydrate, mono-ethylenediamine (EDA)] recently determined by synchrotron X-ray and neutron fiber diffraction were reviewed from the viewpoint of molecular interactions. Both water and EDA molecules interact with the chitin chains through multiple hydrogen bonds. When water complexes with chitin, the hydrogen bonding pattern rearranges with the replacement of an intrachain chitin hydrogen bond by a stronger hydrogen bond between chitin and water, with an associated reduction in the degrees of freedom; the water oxygen is a much stronger acceptor than the O5 ring atom. The behavior of hydrogen exchange by deuterium supports this interpretation. EDA-molecules change the conformation of hydroxymethyl group from gg to gt, accompanied by changes in hydrogen bonds due to the strong accepting ability of the EDA nitrogen atoms. Some important interactions are in common with experimental crystallographic results of cellulosic crystals and of molecular dynamics studies. These new insights into solid-solvent interactions are valuable in understanding molecular interactions in other polysaccharides-solvents system in solution or on surface. C1 [Sawada, Daisuke; Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Ogawa, Yu; Kimura, Satoshi; Wada, Masahisa] Univ Tokyo, Grad Sch Agr & Life Sci, Dept Biomat Sci, Tokyo 1138657, Japan. [Kimura, Satoshi; Wada, Masahisa] Kyung Hee Univ, Dept Plant & Environm New Resources, Coll Life Sci, Yongin 446701, Gyeonggi Do, South Korea. [Nishiyama, Yoshiharu] Univ Grenoble 1, Ctr Rech Macromol Vegetales CNRS, F-38041 Grenoble 9, France. RP Sawada, D (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. EM sawadad@ornl.gov RI Nishiyama, Yoshiharu/A-3492-2012; Langan, Paul/N-5237-2015 OI Nishiyama, Yoshiharu/0000-0003-4069-2307; Langan, Paul/0000-0002-0247-3122 FU Genomic Science Program, Office of Biological and Environmental Research, US Department of Energy [FWP ERKP752]; US Department of Energy [DE-AC05-00OR22725]; Scientific User Facilities Division, Office of Basic Energy Sciences; [23-2362] FX We thank beamline D19 at the Institut Laue-Langevin, BL38B1 and BL40B2 at SPring-8 for use of facilities. We thank the Japan Agency for Marine-Earth Science and Technology (JAMSTEC) for collecting samples of L. satsuma using a remotely operated vehicle, Hyper-Dolphin. PL was partly supported by Genomic Science Program, Office of Biological and Environmental Research, US Department of Energy, under FWP ERKP752 and the US Department of Energy, managed by UT-Battelle, LLC under contract No. DE-AC05-00OR22725. PL acknowledges support by the Scientific User Facilities Division, Office of Basic Energy Sciences. YO was supported by grant-in-aids for JSPS research fellow (23-2362). NR 43 TC 2 Z9 2 U1 2 U2 28 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 1007 EP 1014 DI 10.1007/s10570-013-0077-2 PG 8 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800014 ER PT J AU Nishiyama, Y Langan, P O'Neill, H Pingali, SV Harton, S AF Nishiyama, Yoshiharu Langan, Paul O'Neill, Hugh Pingali, Sai Venkatesh Harton, Shane TI Structural coarsening of aspen wood by hydrothermal pretreatment monitored by small- and wide-angle scattering of X-rays and neutrons on oriented specimens SO CELLULOSE LA English DT Article DE Neutron scattering; Small angle scattering; X-ray diffraction; Thermal treatment; Biomass; Cellulose; Coarsening; Crystallite size ID CRYSTAL-STRUCTURE; CELLULOSE MICROFIBRILS; FIBER DIFFRACTION; NANOSTRUCTURE; SAMPLES AB Structural changes across multiple length scales associated with hydrothermal pretreatments of biomass were investigated by using small- and wide-angle X-ray and neutron scattering on oriented specimens. Isotropic and anisotropic scattering components were numerically separated and then interpreted as contributions from matrix and cellulose components, respectively. Equatorial diffraction peaks present in the isotropic component became sharper after hydrothermal treatments or ammonia treatment. Before pretreatment the wet cell wall was found to be homogeneous in the 10-100 nm range and scattering below Q = 0.5 (nm(-1)) was dominated by surface scattering from the lumen. After pretreatment with acid or steam at 160 or 180 A degrees C, density fluctuation developed in the cell wall at length scales above 10 nm, most likely due to lateral coalescence of microfibrils that partially co-crystallize to give larger apparent crystal sizes. A density fluctuation up to about 100 nm appeared in the isotropic component after acid and steam pretreatments due to morphological changes in the hemicellulose and lignin matrix. C1 [Nishiyama, Yoshiharu] CNRS, Ctr Rech Macromol Vegetales, F-38041 Grenoble, France. [Langan, Paul; O'Neill, Hugh; Pingali, Sai Venkatesh] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Langan, Paul; O'Neill, Hugh; Pingali, Sai Venkatesh] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. [Harton, Shane] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Nishiyama, Y (reprint author), CNRS, Ctr Rech Macromol Vegetales, BP 53X, F-38041 Grenoble, France. EM yoshi@cermav.cnrs.fr RI Nishiyama, Yoshiharu/A-3492-2012; Langan, Paul/N-5237-2015; OI Nishiyama, Yoshiharu/0000-0003-4069-2307; Langan, Paul/0000-0002-0247-3122; Pingali, Sai Venkatesh/0000-0001-7961-4176; O'Neill, Hugh/0000-0003-2966-5527 FU Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy [FWP ERKP752]; Office of Biological and Environmental Research; U.S. Department of Energy [DE-AC05-00OR22725] FX This research is funded by the Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy, under FWP ERKP752. The Center for Structural Molecular Biology (CSMB) and the BioSANS beam line are supported by the Office of Biological and Environmental Research, using facilities supported by the U.S. Department of Energy, managed by UT-Battelle, LLC under contract No. DE-AC05-00OR22725. NR 17 TC 17 Z9 17 U1 5 U2 36 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD APR PY 2014 VL 21 IS 2 SI SI BP 1015 EP 1024 DI 10.1007/s10570-013-0069-2 PG 10 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AD4IW UT WOS:000333213800015 ER PT J AU Adal, KM Sidibe, D Ali, S Chaum, E Karnowski, TP Meriaudeau, F AF Adal, Kedir M. Sidibe, Desire Ali, Sharib Chaum, Edward Karnowski, Thomas P. Meriaudeau, Fabrice TI Automated detection of microaneurysms using scale-adapted blob analysis and semi-adapted blob analysis and semi-supervised learning SO COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE LA English DT Article DE Microaneurysms; Diabetic retinopathy; Fundus image; Semi-supervised learning; Blobs; Scale-space ID FLUORESCEIN ANGIOGRAMS; RETINAL IMAGES; FUNDUS IMAGES; SEGMENTATION; QUANTIFICATION; PHOTOGRAPHS; LESIONS; SYSTEM AB Despite several attempts, automated detection of microaneurysm (MA) from digital fundus images still remains to be an open issue. This is due to the subtle nature of MAs against the surrounding tissues. In this paper, the microaneurysm detection problem is modeled as finding interest regions or blobs from an image and an automatic local-scale selection technique is presented. Several scale-adapted region descriptors are introduced to characterize these blob regions. A semi-supervised based learning approach, which requires few manually annotated learning examples, is also proposed to train a classifier which can detect true MAs. The developed system is built using only few manually labeled and a large number of unlabeled retinal color fundus images. The performance of the overall system is evaluated on Retinopathy Online Challenge (ROC) competition database. A competition performance measure (CPM) of 0.364 shows the competitiveness of the proposed system against state-of-the art techniques as well as the applicability of the proposed features to analyze fundus images. (C) 2013 Elsevier Ireland Ltd. All rights reserved. C1 [Adal, Kedir M.; Sidibe, Desire; Ali, Sharib; Meriaudeau, Fabrice] Univ Bourgogne, CNRS, Lab Le2i, UMR 6306, F-71200 Le Creusot, France. [Chaum, Edward] U Tennessee Hlth Sci Ctr, Hamilton Eye Inst, Memphis, TN USA. [Karnowski, Thomas P.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Adal, KM (reprint author), Univ Bourgogne, CNRS, Lab Le2i, UMR 6306, F-71200 Le Creusot, France. EM KedirAdal@gmail.com FU Oak Ridge National Laboratory (ORNL); Regional Burgundy Council, France FX This work was supported in part by grants from Oak Ridge National Laboratory (ORNL), and by the Regional Burgundy Council, France. NR 38 TC 7 Z9 7 U1 1 U2 12 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0169-2607 EI 1872-7565 J9 COMPUT METH PROG BIO JI Comput. Meth. Programs Biomed. PD APR PY 2014 VL 114 IS 1 DI 10.1016/j.cmpb.2013.12.009 PG 10 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods; Engineering, Biomedical; Medical Informatics SC Computer Science; Engineering; Medical Informatics GA AC4ZB UT WOS:000332528900001 ER PT J AU Hurlbert, AH Stegen, JC AF Hurlbert, Allen H. Stegen, James C. TI When should species richness be energy limited, and how would we know? SO ECOLOGY LETTERS LA English DT Article DE niche conservatism; latitudinal gradient; zero sum; Diversification; species-energy theory; simulation; phylogenetic structure; evolution; species richness ID LATITUDINAL DIVERSITY GRADIENT; MOLECULAR PHYLOGENIES; DIVERSIFICATION RATES; CHANGING ENVIRONMENTS; NICHE CONSERVATISM; SCALE PATTERNS; FOSSIL RECORD; SANTA-ROSALIA; RED QUEEN; EVOLUTIONARY AB Energetic constraints are fundamental to ecology and evolution, and empirical relationships between species richness and estimates of available energy (i.e. resources) have led some to suggest that richness is energetically constrained. However, the mechanism linking energy with richness is rarely specified and predictions of secondary patterns consistent with energy-constrained richness are lacking. Here, we lay out the necessary and sufficient assumptions of a causal relationship linking energy gradients to richness gradients. We then describe an eco-evolutionary simulation model that combines spatially explicit diversification with trait evolution, resource availability and assemblage-level carrying capacities. Our model identified patterns in richness and phylogenetic structure expected when a spatial gradient in energy availability determines the number of individuals supported in a given area. A comparison to patterns under alternative scenarios, in which fundamental assumptions behind energetic explanations were violated, revealed patterns that are useful for evaluating the importance of energetic constraints in empirical systems. We use a data set on rockfish (genus Sebastes) from the northeastern Pacific to show how empirical data can be coupled with model predictions to evaluate the role of energetic constraints in generating observed richness gradients. C1 [Hurlbert, Allen H.] Univ N Carolina, Dept Biol, Chapel Hill, NC 27514 USA. [Hurlbert, Allen H.] Univ N Carolina, Curriculum Environm & Ecol, Chapel Hill, NC 27599 USA. [Stegen, James C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hurlbert, AH (reprint author), Univ N Carolina, Dept Biol, CB 3280, Chapel Hill, NC 27514 USA. EM hurlbert@bio.unc.edu RI Stegen, James/Q-3078-2016 OI Stegen, James/0000-0001-9135-7424 FU Linus Pauling Distinguished Postdoctoral Fellowship at Pacific Northwest National Laboratory; DOE by Battelle [AC06-76RLO 1830] FX We are grateful to TJ Davies, T Ingram, EP White and three anonymous reviewers for comments on earlier versions of the manuscript, and T Ingram for providing phylogenetic and distributional data on Pacific rockfish. A Purvis provided R code (modified from the maxlik_betasplit function in the apTree-shape package) for calculating beta. JCS was supported by a Linus Pauling Distinguished Postdoctoral Fellowship at Pacific Northwest National Laboratory, which is operated for DOE by Battelle under contract DE-AC06-76RLO 1830. Institutional computing resources at PNNL were used extensively to carry out the described work. NR 84 TC 26 Z9 27 U1 5 U2 73 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1461-023X EI 1461-0248 J9 ECOL LETT JI Ecol. Lett. PD APR PY 2014 VL 17 IS 4 BP 401 EP 413 DI 10.1111/ele.12240 PG 13 WC Ecology SC Environmental Sciences & Ecology GA AC0SZ UT WOS:000332206400001 PM 24393362 ER PT J AU Chen, JYC Miller, JT Gerken, JB Stahl, SS AF Chen, Jamie Y. C. Miller, Jeffrey T. Gerken, James B. Stahl, Shannon S. TI Inverse spinel NiFeAlO4 as a highly active oxygen evolution electrocatalyst: promotion of activity by a redox-inert metal ion SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID ALKALINE WATER ELECTROLYSIS; PHOTOSYSTEM-II; OXIDE CATALYSTS; NICKEL FERRITE; COMBINATORIAL DISCOVERY; SOLID-SOLUTIONS; LOW-TEMPERATURE; O-2 EVOLUTION; KOH SOLUTIONS; OXIDATION AB Ni:Fe:Al mixed oxides were identified as highly active water oxidation electrocatalysts. A systematic investigation of these materials has led to the characterization of a well-defined NiFeAlO4 inverse spinel catalyst. Electrochemical characterization of NiFeAlO4 shows activity exceeding previously reported catalysts of similar composition and/or structure, including NiO, NiFe (9 : 1), and NiFe2O4. C1 [Chen, Jamie Y. C.; Gerken, James B.; Stahl, Shannon S.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Chen, JYC (reprint author), Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53706 USA. EM stahl@chem.wisc.edu FU NSF [CHE-1305124]; U. S. Department of Energy; Office of Science; Office of Basic Energy Sciences [DE-AC02-06CH11357]; MRCAT; Department of Energy; MRCAT member institutions; Chemical Sciences, Geosciences and Biosciences Division, U. S. Department of Energy [DE-AC0-06CH11357] FX The authors thank Dr Alexey Serov and Nalin Andersen (Dept. of Chemical Engineering, University of New Mexico) for experimental assistance and Veronica Berns (Dept. of Chemistry, University of Wisconsin-Madison) for advice on Rietveld refinement. This research is supported by the NSF under CCI Powering the Planet grant CHE-1305124. Use of the Advanced Photon Source is supported by the U. S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. Funding for JTM was provided by Chemical Sciences, Geosciences and Biosciences Division, U. S. Department of Energy, under contract DE-AC0-06CH11357. NR 57 TC 40 Z9 41 U1 12 U2 107 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 APR PY 2014 VL 7 IS 4 BP 1382 EP 1386 DI 10.1039/c3ee43811b PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AD4GI UT WOS:000333205800013 ER PT J AU Berger, A Segalman, RA Newman, J AF Berger, Alan Segalman, R. A. Newman, J. TI Material requirements for membrane separators in a water-splitting photoelectrochemical cell SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID OXYGEN-EVOLUTION; MATHEMATICAL-MODEL; RUTHENIUM DIOXIDE; FUEL-CELLS; SOLAR; EFFICIENCY; ELECTRODE; SYSTEMS; PHOTOLYSIS; TRANSPORT AB A fully integrated model of a photoelectrochemical cell for water electrolysis is applied to the case of light-absorbing particles embedded in a membrane separator. Composition of the product gases is shown to be one critical measure of device performance. Not only must the composition be kept outside the explosive window for mixtures of H-2 and O-2, but also product purity is a concern. For the absorber-in-membrane geometry and the model assumptions used here, results show purely water-saturated H-2 on the cathode side and water-saturated O-2 on the anode side. Since it is possible to design devices that violate these assumptions, it should not be assumed that a polymer separator or an absorber-in-membrane geometry will be effective in preventing explosive mixtures in all cases. Net H-2 collected, i H-2,(net), is the second essential performance metric, and it is shown to differ significantly from the more commonly reported total H2 produced and operating current density. Schemes which co-evolve H-2 and O-2 violate the first metric and do not provide the second. A composite of triple-junction silicon absorbers in a Nafion membrane is shown to have an optimum thickness of 30 mu m, dependent on the properties of the light absorber. Varying membrane properties reveals a tradeoff between conductivity, k(m), and gas permeabilities, psi H-2 and psi O-2, that can potentially be exploited differently than in a fuel cell. Modulating the relative humidity (RH) is insufficient. The maximum iH(2), net is calculated to be 6.97 mA cm(-2) at RH = 30% relative to a value of 6.92 mA cm(-2) at RH = 100%. The model identifies target material properties for new polymers. If psi is dropped one order of magnitude below that of Nafion (psi/psi(Nafion =) 0.1), the optimum value for iH(2), net increases by 63.5%. For psi/psi(Nafion) = 0.01, the optimum iH(2), net increases by 73.5%, which compares favorably to the 74.5% improvement that would result if Nafion were made impermeable (psi/psi(Nafion) = 0). Meanwhile, k(m) can drop to a value of 1.2 x 10(-3) S cm(-1) (two orders of magnitude below liquid-equilibrated Nafion) with less than a 5% decline in iH(2),(net). C1 [Berger, Alan; Segalman, R. A.; Newman, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Berger, Alan; Segalman, R. A.; Newman, J.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Berger, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. EM alanberger@berkeley.edu; newman@newman.cchem.berkeley.edu OI Segalman, Rachel/0000-0002-4292-5103 FU Joint Center for Artificial Photosynthesis; DOE Energy Innovation Hub; Office of Science of the U. S. Department of Energy [DE-SC0004993] FX This work was supported through the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U. S. Department of Energy under Award number DE-SC0004993. NR 44 TC 27 Z9 28 U1 7 U2 77 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 APR PY 2014 VL 7 IS 4 BP 1468 EP 1476 DI 10.1039/c3ee43807d PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AD4GI UT WOS:000333205800025 ER PT J AU Khnayzer, RS Thoi, VS Nippe, M King, AE Jurss, JW El Roz, KA Long, JR Chang, CJ Castellano, FN AF Khnayzer, R. S. Thoi, V. S. Nippe, M. King, A. E. Jurss, J. W. El Roz, K. A. Long, J. R. Chang, C. J. Castellano, F. N. TI Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(II) polypyridyl catalysts SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID HYDROPHILIC PHOSPHATRIAZAADAMANTANE LIGAND; METAL-COMPLEXES; H-2 PRODUCTION; ELECTROCATALYTIC REDUCTION; HOMOGENEOUS CATALYSIS; GENERATING HYDROGEN; AQUEOUS-SOLUTIONS; PHOTO-REDUCTION; RECENT PROGRESS; CARBON-DIOXIDE AB Homogeneous aqueous solutions of photocatalytic ensembles, consisting of [Ru(bpy)3](2+) as a photosensitizer, ascorbic acid/ascorbate as the electron source, and 10 distinct Co2+-based molecular catalysts, were evaluated for visible-light induced hydrogen evolution using high-throughput screening. The combined results demonstrate that Co2+ complexes bearing tetradentate ligands yield more active photocatalytic compositions than their congeners with pentadentate ligands while operating with high catalyst stability. Additionally, molecular Co2+ catalysts with cis open coordination sites appear to be significantly more active for hydrogen evolution than those with trans open sites. As evidenced by mass spectrometric analysis of the reactor headspace and associated deuteration experiments, the H-2 gas generated in all instances was derived from aqueous protons. One of the most promising cis-disposed Co2+ species, [Co(bpyPY2Me)(CH3CN)(CF3SO3)](CF3SO3) (1), engages in highly efficient hydrogen evolving photocatalysis, achieving a turnover number of 4200 (H-2/Co) and a turnover frequency of 3200 (H-2/Co per h) at pH 4 under simulated sunlight (AM 1.5G, 100 mW cm (-2)) at room temperature. At equimolar concentrations of photosensitizer and 1, the total hydrogen produced appears to be exclusively limited by the photostability of [Ru(bpy)(3)] (2+), which was observed to decompose into an Ru(bpy)(2)-ascorbate adduct, as evidenced by HPLC and ESI-MS experiments. Lowering the operating temperature from 27 to 5 degrees C significantly attenuates bpy dissociation from the sensitizer, resulting in a net similar to two-fold increase in hydrogen production from this composition. The primary electron transfer steps of this photocatalytic ensemble were investigated by nanosecond transient absorption spectroscopy. Photoexcited [Ru(bpy)(3)](2+) undergoes reductive quenching by ascorbic acid/ascorbate (k(q) = 2.6 x 107 M (1) s (1)), releasing [Ru(bpy)(3)](2+) from the encounter solvent cage with an efficiency of 55 +/- 5%. In the presence of catalyst 1, [Ru(bpy)(3)](+) generated in the initial flash-quench experiment transfers an electron (k(et)= 2 x 109 M-1 s(-1)) at an efficiency of 85 +/- 10% to the catalyst, which is believed to enter the hydrogen evolution cycle subsequently. Using a combinatorial approach, all ten Co2+ catalysts were evaluated for their potential to operate under neutral pH 7.0 conditions. Catalyst 7, [Co(PY4MeH(2))(CH3CN)(CF3SO3)](CF3SO3), was revealed to be most promising, as its performance metrics were only marginally affected by pH and turnover numbers greater than 1000 were easily obtained in photocatalytic hydrogen generation. These comprehensive findings provide guidelines for the development of molecular compositions capable of evolving hydrogen from purely aqueous media. C1 [Khnayzer, R. S.; El Roz, K. A.; Castellano, F. N.] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. [Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; Long, J. R.; Chang, C. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Chang, C. J.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; Chang, C. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Long, J. R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Chang, C. J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Khnayzer, R. S.] Lebanese Amer Univ, Dept Nat Sci, Beirut 11022801, Lebanon. RP Khnayzer, RS (reprint author), N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. EM jrlong@berkeley.edu; chrischang@berkeley.edu; fncastel@ncsu.edu RI Nippe, Michael/A-6222-2015; OI Nippe, Michael/0000-0003-1091-4677; Khnayzer, Rony/0000-0001-7775-0027; Castellano, Felix/0000-0001-7546-8618 FU DOE/LBNL Grant [403801]; NSF grant [CHE-1111900, CHE-1012487]; National Science Foundation FX This work was supported by DOE/LBNL Grant 403801 (C.J.C.), NSF grant CHE-1111900 (J.R.L.), and NSF grant CHE-1012487 (F.N.C.). V.S.T. thanks Profs. T. Don Tilley and Richard Andersen for insightful discussions as well as the National Science Foundation for a graduate fellowship. We acknowledge Babatunde S. Olaiya for considerable help with photocatalytic experiments. C.J.C. is an Investigator with the Howard Hughes Medical Institute. NR 71 TC 55 Z9 55 U1 18 U2 173 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 APR PY 2014 VL 7 IS 4 BP 1477 EP 1488 DI 10.1039/c3ee43982h PG 12 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AD4GI UT WOS:000333205800026 ER PT J AU McManamay, RA Orth, DJ Jager, HI AF McManamay, R. A. Orth, D. J. Jager, H. I. TI Accounting for variation in species detection in fish community monitoring SO FISHERIES MANAGEMENT AND ECOLOGY LA English DT Article ID ESTIMATING SITE OCCUPANCY; DETECTION PROBABILITIES; STREAM FISHES; ASSEMBLAGE STRUCTURE; CAPTURE PROBABILITY; PRESENCE-ABSENCE; SMALLMOUTH BASS; RIVER-BASIN; HABITAT USE; ABUNDANCE C1 [McManamay, R. A.; Jager, H. I.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Orth, D. J.] Virginia Tech, Dept Fish & Wildlife Conservat, Blacksburg, VA USA. RP McManamay, RA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bldg 1505 Off 338, Oak Ridge, TN 37831 USA. EM mcmanamayra@ornl.gov OI Orth, Donald/0000-0002-9236-0147 FU Cheoah Fund Board; USDA Forest Service; U.S. Forest Service FX This work was funded by the Cheoah Fund Board, a multiagency collaboration between Alcoa Power, USDA Forest Service, US Fish and Wildlife Service, North Carolina Wildlife Resources Commission, and the NC Division of Water Resources-DENR and other grants provided by the USDA Forest Service. Mesohabitat delineations were taken from joint work by ENTRIX, Inc. and Forest One, Inc.; produced under contract for the U.S. Forest Service. Three anonymous reviewers provided comments that improved the manuscript considerably. We would like to sincerely thank Toby Coyner, Tyler Young, David Belkoski, Brad Collins, Jason Emmel and McKeever Henley for their help in the field. We also thank Chris Goodreau, Steve Fraley and Collin Krause for providing recommendations on different sampling protocols. NR 70 TC 4 Z9 4 U1 2 U2 39 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0969-997X EI 1365-2400 J9 FISHERIES MANAG ECOL JI Fisheries Manag. Ecol. PD APR PY 2014 VL 21 IS 2 BP 96 EP 112 PG 17 WC Fisheries SC Fisheries GA AC3ID UT WOS:000332409600002 ER PT J AU Rasmussen, JA Post, DMB Gibson, BW Lindemann, SR Apicella, MA Meyerholz, DK Jones, BD AF Rasmussen, Jed A. Post, Deborah M. B. Gibson, Bradford W. Lindemann, Stephen R. Apicella, Michael A. Meyerholz, David K. Jones, Bradley D. TI Francisella tularensis Schu S4 Lipopolysaccharide Core Sugar and O-Antigen Mutants Are Attenuated in a Mouse Model of Tularemia SO INFECTION AND IMMUNITY LA English DT Article ID ESCHERICHIA-COLI K-12; TOLL-LIKE RECEPTORS; SALMONELLA-TYPHIMURIUM; OUTER-MEMBRANE; LIPID-A; FUNCTIONAL-CHARACTERIZATION; TOPOLOGY PREDICTION; IN-VITRO; PROTEIN; BIOSYNTHESIS AB The virulence factors mediating Francisella pathogenesis are being investigated, with an emphasis on understanding how the organism evades innate immunity mechanisms. Francisella tularensis produces a lipopolysaccharide (LPS) that is essentially inert and a polysaccharide capsule that helps the organism to evade detection by components of innate immunity. Using an F. tularensis Schu S4 mutant library, we identified strains that are disrupted for capsule and O-antigen production. These serum-sensitive strains lack both capsule production and O-antigen laddering. Analysis of the predicted protein sequences for the disrupted genes (FTT1236 and FTT1238c) revealed similarity to those for waa (rfa) biosynthetic genes in other bacteria. Mass spectrometry further revealed that these proteins are involved in LPS core sugar biosynthesis and the ligation of O antigen to the LPS core sugars. The 50% lethal dose (LD50) values of these strains are increased 100- to 1,000-fold for mice. Histopathology revealed that the immune response to the F. tularensis mutant strains was significantly different from that observed with wild-type-infected mice. The lung tissue from mutant-infected mice had widespread necrotic debris, but the spleens lacked necrosis and displayed neutrophilia. In contrast, the lungs of wild-type-infected mice had nominal necrosis, but the spleens had widespread necrosis. These data indicate that murine death caused by wild-type strains occurs by a mechanism different from that by which the mutant strains kill mice. Mice immunized with these mutant strains displayed > 10-fold protective effects against virulent type A F. tularensis challenge. C1 [Rasmussen, Jed A.; Apicella, Michael A.; Jones, Bradley D.] Univ Iowa, Dept Microbiol, Carver Coll Med, Iowa City, IA 52242 USA. [Meyerholz, David K.] Univ Iowa, Dept Pathol, Carver Coll Med, Iowa City, IA 52242 USA. [Jones, Bradley D.] Univ Iowa, Genet Program, Carver Coll Med, Iowa City, IA USA. [Lindemann, Stephen R.] Pacific NW Natl Lab, Biol Sci Div Microbiol, Richland, WA 99352 USA. [Post, Deborah M. B.; Gibson, Bradford W.] Buck Inst Age Res, Novato, CA USA. [Gibson, Bradford W.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA USA. [Jones, Bradley D.] Washington Univ, Midwest Reg Ctr Excellence Biodef & Emerging Infe, St Louis, MO USA. RP Jones, BD (reprint author), Univ Iowa, Dept Microbiol, Carver Coll Med, Iowa City, IA 52242 USA. EM bradley-jones@uiowa.edu RI Lindemann, Steve/H-6088-2016 OI Lindemann, Steve/0000-0002-3788-5389 FU NIH [2PO1 AI044642, 2U54 AI057160]; project 14 of the Midwest Regional Center of Excellence (MRCE); Biodefense and Emerging Infectious Disease Research FX Financial support for this work was provided by NIH grants 2PO1 AI044642 (B.D.J., M.A.A., and B. W. G.) and 2U54 AI057160 and by project 14 of the Midwest Regional Center of Excellence (MRCE) for Biodefense and Emerging Infectious Disease Research to B.D.J. NR 59 TC 9 Z9 9 U1 1 U2 6 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0019-9567 EI 1098-5522 J9 INFECT IMMUN JI Infect. Immun. PD APR PY 2014 VL 82 IS 4 BP 1523 EP 1539 DI 10.1128/IAI.01640-13 PG 17 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA AD4BX UT WOS:000333192300019 PM 24452684 ER PT J AU Gittel, A Barta, J Kohoutova, I Mikutta, R Owens, S Gilbert, J Schnecker, J Wild, B Hannisdal, B Maerz, J Lashchinskiy, N Capek, P Santruckova, H Gentsch, N Shibistova, O Guggenberger, G Richter, A Torsvik, VL Schleper, C Urich, T AF Gittel, Antje Barta, Jiri Kohoutova, Iva Mikutta, Robert Owens, Sarah Gilbert, Jack Schnecker, Joerg Wild, Birgit Hannisdal, Bjarte Maerz, Joeran Lashchinskiy, Nikolay Capek, Petr Santruckova, Hana Gentsch, Norman Shibistova, Olga Guggenberger, Georg Richter, Andreas Torsvik, Vigdis L. Schleper, Christa Urich, Tim TI Distinct microbial communities associated with buried soils in the Siberian tundra SO ISME JOURNAL LA English DT Article DE carbon storage; climate change; cryoturbation; microbial communities; permafrost-affected soil; soil organic matter (SOM) ID MYCORRHIZAL FUNGI; ORGANIC-MATTER; CLIMATE-CHANGE; BOREAL FOREST; COMPOSITIONAL DATA; CARBON-CYCLE; DECOMPOSITION; BACTERIAL; NITROGEN; DEPTH AB Cryoturbation, the burial of topsoil material into deeper soil horizons by repeated freeze-thaw events, is an important storage mechanism for soil organic matter (SOM) in permafrost-affected soils. Besides abiotic conditions, microbial community structure and the accessibility of SOM to the decomposer community are hypothesized to control SOM decomposition and thus have a crucial role in SOM accumulation in buried soils. We surveyed the microbial community structure in cryoturbated soils from nine soil profiles in the northeastern Siberian tundra using high-throughput sequencing and quantification of bacterial, archaeal and fungal marker genes. We found that bacterial abundances in buried topsoils were as high as in unburied topsoils. In contrast, fungal abundances decreased with depth and were significantly lower in buried than in unburied topsoils resulting in remarkably low fungal to bacterial ratios in buried topsoils. Fungal community profiling revealed an associated decrease in presumably ectomycorrhizal (ECM) fungi. The abiotic conditions (low to subzero temperatures, anoxia) and the reduced abundance of fungi likely provide a niche for bacterial, facultative anaerobic decomposers of SOM such as members of the Actinobacteria, which were found in significantly higher relative abundances in buried than in unburied topsoils. Our study expands the knowledge on the microbial community structure in soils of Northern latitude permafrost regions, and attributes the delayed decomposition of SOM in buried soils to specific microbial taxa, and particularly to a decrease in abundance and activity of ECM fungi, and to the extent to which bacterial decomposers are able to act as their functional substitutes. C1 [Gittel, Antje; Torsvik, Vigdis L.; Schleper, Christa] Univ Bergen, Dept Biol, Ctr Geobiol, Bergen, Norway. [Gittel, Antje; Schnecker, Joerg; Wild, Birgit; Richter, Andreas; Schleper, Christa; Urich, Tim] Austrian Polar Res Inst, Vienna, Austria. [Barta, Jiri; Kohoutova, Iva; Capek, Petr; Santruckova, Hana] Univ South Bohemia, Dept Ecosyst Biol, Ceske Budejovice, Czech Republic. [Mikutta, Robert; Gentsch, Norman; Shibistova, Olga; Guggenberger, Georg] Leibniz Univ Hannover, Inst Bodenkunde, D-30167 Hannover, Germany. [Owens, Sarah; Gilbert, Jack] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Owens, Sarah] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Gilbert, Jack] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Schnecker, Joerg; Wild, Birgit; Richter, Andreas] Univ Vienna, Dept Microbiol & Ecosyst Sci, Div Terr Ecosyst Res, A-1090 Vienna, Austria. [Hannisdal, Bjarte] Univ Bergen, Dept Earth Sci, Ctr Geobiol, Bergen, Norway. [Maerz, Joeran] Helmholtz Zentrum Geesthacht, Inst Coastal Res, Div Ecosyst Modelling, Geesthacht, Germany. [Lashchinskiy, Nikolay] Russian Acad Sci, Cent Siberian Bot Garden, Siberian Branch, Novosibirsk, Russia. [Shibistova, Olga] Russian Acad Sci, VN Sukachev Inst Forest, Siberian Branch, Akademgorodok, Russia. [Schleper, Christa; Urich, Tim] Univ Vienna, Dept Ecogen & Syst Biol, Div Archaea Biol & Ecogen, A-1090 Vienna, Austria. RP Gittel, A (reprint author), Ctr Geomicrobiol, Dept Biosci, Ny Munkegade 114,Bldg 1540, DK-8000 Aarhus C, Denmark. EM antjegittel80@gmail.com; tim.urich@univie.ac.at RI Richter, Andreas/D-8483-2012; Wild, Birgit/E-6476-2012; Schnecker, Jorg/E-6546-2012; Capek, Petr/I-1518-2016; Urich, Tim/J-8241-2016 OI Richter, Andreas/0000-0003-3282-4808; Wild, Birgit/0000-0002-9611-0815; Schnecker, Jorg/0000-0002-5160-2701; Capek, Petr/0000-0001-9362-6384; FU Research Council of Norway as a part of the International Program CryoCARB (Long-term Carbon Storage in Cryoturbated Arctic Soils) [NFR-200411]; EU Action program (Austria-Czech Republic) [60p14]; Austrian Science Fund [FWF I370-B17] FX We thank all members of the CryoCARB consortium that participated in field work in Cherskii in 2010 and their invaluable contributions to this manuscript by fruitful discussions. Sergey A Zimov is highly acknowledged for providing facilities at the Northeast Science Station (Cherskii, Russia) and access to the sampling site. Kristyna Kvardova is thanked for help with nucleic acid extractions. This work was funded by the Research Council of Norway as a part of the International Program CryoCARB (Long-term Carbon Storage in Cryoturbated Arctic Soils; NFR-200411). Jiri Barta and Tim Urich received financial support from the EU Action program (Austria-Czech Republic, ID 60p14). Andreas Richter acknowledges the support of the Austrian Science Fund (FWF I370-B17). NR 68 TC 26 Z9 27 U1 9 U2 128 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD APR PY 2014 VL 8 IS 4 BP 841 EP 853 DI 10.1038/ismej.2013.219 PG 13 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA AD4BA UT WOS:000333189700010 PM 24335828 ER PT J AU Singh, VP Khedun, CP Mishra, AK AF Singh, Vijay P. Khedun, Chundun Prakash Mishra, Ashok K. TI Water, Environment, Energy, and Population Growth: Implications for Water Sustainability under Climate Change SO JOURNAL OF HYDROLOGIC ENGINEERING LA English DT Article ID WORLD; MANAGEMENT; IMPACTS; DAMS AB Forum papers are thought-provoking opinion pieces or essays founded in fact, sometimes containing speculation, on a civil engineering topic of general interest and relevance to the readership of the journal. The views expressed in this Forum article do not necessarily reflect the views of ASCE or the Editorial Board of the journal. C1 [Singh, Vijay P.] Texas A&M Univ, Dept Biol & Agr Engn, Zachry Dept Civil Engn, College Stn, TX 77843 USA. [Khedun, Chundun Prakash] Texas A&M Univ, College Stn, TX 77843 USA. [Mishra, Ashok K.] Clemson Univ, Glenn Dept Civil Engn, Clemson, SC 29634 USA. [Mishra, Ashok K.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Khedun, CP (reprint author), Texas A&M Univ, 321E Scoates Hall,MS 2117, College Stn, TX 77843 USA. EM vsingh@tamu.edu; pkhedun@tamu.edu; akm.pce@gmail.com NR 48 TC 7 Z9 8 U1 3 U2 31 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 1084-0699 EI 1943-5584 J9 J HYDROL ENG JI J. Hydrol. Eng. PD APR 1 PY 2014 VL 19 IS 4 BP 667 EP 673 DI 10.1061/(ASCE)HE.1943-5584.0000866 PG 7 WC Engineering, Civil; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA AC8GB UT WOS:000332770400001 ER PT J AU Huang, K Kammerer, CC Keiser, DD Sohn, YH AF Huang, K. Kammerer, C. C. Keiser, D. D., Jr. Sohn, Y. H. TI Diffusion Barrier Selection from Refractory Metals (Zr, Mo and Nb) Via Interdiffusion Investigation for U-Mo RERTR Fuel Alloy SO JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION LA English DT Article DE diffusion barrier; interdiffusion; multicomponent diffusion; nuclear ID URANIUM-MOLYBDENUM ALLOY; DISPERSION FUEL; HIGH-DENSITY; MATRIX; AL AB U-Mo alloys are being developed as low enrichment monolithic fuel under the Reduced Enrichment for Research and Test Reactor (RERTR) program. Diffusional interactions between the U-Mo fuel alloy and Al-alloy cladding within the monolithic fuel plate construct necessitate incorporation of a barrier layer. Fundamentally, a diffusion barrier candidate must have good thermal conductivity, high melting point, minimal metallurgical interaction, and good irradiation performance. Refractory metals, Zr, Mo, and Nb are considered based on their physical properties, and the diffusion behavior must be carefully examined first with U-Mo fuel alloy. Solid-to-solid U-10 wt.%Mo versus Mo, Zr, or Nb diffusion couples were assembled and annealed at 600, 700, 800, 900 and 1000 A degrees C for various times. The interdiffusion microstructures and chemical composition were examined via scanning electron microscopy and electron probe microanalysis, respectively. For all three systems, the growth rate of interdiffusion zone were calculated at 1000, 900 and 800 A degrees C under the assumption of parabolic growth, and calculated for lower temperature of 700, 600 and 500 A degrees C according to Arrhenius relationship. The growth rate was determined to be about 10(3) times slower for Zr, 10(5) times slower for Mo and 10(6) times slower for Nb, than the growth rates reported for the interaction between the U-Mo fuel alloy and pure Al or Al-Si cladding alloys. Zr, however was selected as the barrier metal due to a concern for thermo-mechanical behavior of UMo/Nb interface observed from diffusion couples, and for ductile-to-brittle transition of Mo near room temperature. C1 [Huang, K.; Kammerer, C. C.; Sohn, Y. H.] Univ Cent Florida, Dept Mat Sci & Engn, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Keiser, D. D., Jr.] Idaho Natl Lab, Nucl Fuels & Mat Div, Idaho Falls, ID 83415 USA. RP Huang, K (reprint author), Univ Cent Florida, Dept Mat Sci & Engn, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. EM Yongho.Sohn@ucf.edu RI Sohn, Yongho/A-8517-2010 OI Sohn, Yongho/0000-0003-3723-4743 FU U.S. Department of Energy, Office of Nuclear Materials Threat Reduction [NA-212]; National Nuclear Security Administration, under DOE-NE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Materials Threat Reduction (NA-212), National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. Accordingly, the U.S. Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. NR 31 TC 2 Z9 2 U1 3 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1547-7037 EI 1863-7345 J9 J PHASE EQUILIB DIFF JI J. Phase Equilib. Diffus. PD APR PY 2014 VL 35 IS 2 BP 146 EP 156 DI 10.1007/s11669-013-0270-x PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA AD2VL UT WOS:000333093800005 ER PT J AU Ouerfelli, N Das, D Latrous, H Ammar, M Oliver, J AF Ouerfelli, N. Das, D. Latrous, H. Ammar, M. Oliver, J. TI Transport behaviour of the lanthanide Eu-152(III), Gd-153(III) and Tm-170(III) and transplutonium element Es-254(III), Cm-244(III), Am-241(III), Cf-249(III) and Bk-249(III) ions in aqueous solutions at 298 K SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Self-diffusion coefficient; Open end capillary method; Lanthanide and actinide trivalent ions; Onsager law; Asymmetrical 3:1 electrolyte ID SELF-DIFFUSION COEFFICIENTS; TRIVALENT LANTHANIDE; WATER; BERKELIUM AB Ionic self-diffusion coefficients (D) for trivalent radiotracers, lanthanide and actinide ions have been determined in concentrated aqueous solutions of supporting electrolytes of Gd(NO3)(3)-HNO3 or Nd(ClO3)(4)-HClO4 up to 1.5 mol L-1 at 298.15 K and pH 2.50 by the open-end capillary method. The data obtained in large range of concentrations, allow to derive the limiting value DA degrees, the validity of the Onsager limiting law and a more extended law. This study contributes to demonstrate similarities in transport and structure properties between 4f and 5f trivalent ions explained by a similar electronic configuration, ionic radius and hydration number. An empirical equation is suggested for predicting ionic hydration number with a good precision. C1 [Ouerfelli, N.] Girls Coll Sci, Dept Chem, Dammam 31113, Saudi Arabia. [Ouerfelli, N.; Latrous, H.; Ammar, M.] Univ Tunis El Manar, Lab Biophys & Technol Med, Inst Super Technol Med Tunis, Tunis 1006, Tunisia. [Das, D.] Dinhata Coll, Dept Chem, Cooch Behar 736135, W Bengal, India. [Oliver, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Das, D (reprint author), Dinhata Coll, Dept Chem, Cooch Behar 736135, W Bengal, India. EM debu_nbu@rediffmail.com RI Ouerfelli, Noureddine/F-4194-2011 OI Ouerfelli, Noureddine/0000-0002-8343-0510 NR 20 TC 2 Z9 2 U1 0 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD APR PY 2014 VL 300 IS 1 BP 51 EP 55 DI 10.1007/s10967-014-2965-9 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AD3EW UT WOS:000333122100009 ER PT J AU Kenney-Hunt, J Lewandowski, A Glenn, TC Glenn, JL Tsyusko, OV O'Neill, RJ Brown, J Ramsdell, CM Nguyen, Q Phan, T Shorter, KR Dewey, MJ Szalai, G Vrana, PB Felder, MR AF Kenney-Hunt, Jane Lewandowski, Adrienne Glenn, Travis C. Glenn, Julie L. Tsyusko, Olga V. O'Neill, Rachel J. Brown, Judy Ramsdell, Clifton M. Quang Nguyen Phan, Tony Shorter, Kimberly R. Dewey, Michael J. Szalai, Gabor Vrana, Paul B. Felder, Michael R. TI A genetic map of Peromyscus with chromosomal assignment of linkage groups (a Peromyscus genetic map) SO MAMMALIAN GENOME LA English DT Article ID WHITE-FOOTED MICE; DEER MICE; FOOD RESTRICTION; MUS-MUSCULUS; MOUSE; MANICULATUS; LEUCOPUS; BEHAVIOR; GENOME; RESPONSES AB The rodent genus Peromyscus is the most numerous and species-rich mammalian group in North America. The naturally occurring diversity within this genus allows opportunities to investigate the genetic basis of adaptation, monogamy, behavioral and physiological phenotypes, growth control, genomic imprinting, and disease processes. Increased genomic resources including a high quality genetic map are needed to capitalize on these opportunities. We produced interspecific hybrids between the prairie deer mouse (P. maniculatus bairdii) and the oldfield mouse (P. polionotus) and scored meiotic recombination events in backcross progeny. A genetic map was constructed by genotyping of backcross progeny at 185 gene-based and 155 microsatellite markers representing all autosomes and the X-chromosome. Comparison of the constructed genetic map with the molecular maps of Mus and Rattus and consideration of previous results from interspecific reciprocal whole chromosome painting allowed most linkage groups to be unambiguously assigned to specific Peromyscus chromosomes. Based on genomic comparisons, this Peromyscus genetic map covers similar to 83 % of the Rattus genome and 79 % of the Mus genome. This map supports previous results that the Peromyscus genome is more similar to Rattus than Mus. For example, coverage of the 20 Rattus autosomes and the X-chromosome is accomplished with only 28 segments of the Peromyscus map, but coverage of the 19 Mus autosomes and the X-chromosome requires 40 chromosomal segments of the Peromyscus map. Furthermore, a single Peromyscus linkage group corresponds to about 91 % of the rat and only 76 % of the mouse X-chromosomes. C1 [Kenney-Hunt, Jane; Lewandowski, Adrienne; Glenn, Julie L.; Ramsdell, Clifton M.; Shorter, Kimberly R.; Dewey, Michael J.; Szalai, Gabor; Vrana, Paul B.; Felder, Michael R.] Univ S Carolina, Dept Biol Sci & Peromyscus Genet Stock Ctr, Columbia, SC 29208 USA. [Glenn, Travis C.; Glenn, Julie L.; Tsyusko, Olga V.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29801 USA. [O'Neill, Rachel J.; Brown, Judy] Univ Connecticut, Dept Mol & Cell Biol, Storrs, CT 06269 USA. [Quang Nguyen; Phan, Tony] Univ Calif Irvine, Dept Biol Chem, Irvine, CA 92799 USA. RP Vrana, PB (reprint author), Univ S Carolina, Dept Biol Sci & Peromyscus Genet Stock Ctr, Columbia, SC 29208 USA. EM vranap@mailbox.sc.edu; mrfelder@mailbox.sc.edu OI Tsyusko, Olga/0000-0001-8196-1062 FU NIH [GM069601, P40 OD010961]; NSF [0444165] FX This work was supported primarily by NIH GM069601 (MJD, TG), and also by NIH P40 OD010961 (MRF, GS) and NSF 0444165 (MRF, GS). We thank the Colony Manager of the Peromyscus Genetic Stock Center, Janet Crossland, for invaluable help in breeding and record keeping of the animals. We thank M. Peters, T. Tuberville, S. Lance, K. Jones, and A. McKee for assistance in genotyping of microsatellite loci. NR 55 TC 9 Z9 9 U1 0 U2 20 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0938-8990 EI 1432-1777 J9 MAMM GENOME JI Mamm. Genome PD APR PY 2014 VL 25 IS 3-4 BP 160 EP 179 DI 10.1007/s00335-014-9500-8 PG 20 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA AD3ZC UT WOS:000333184000007 PM 24445420 ER PT J AU Reiner, A Isacoff, EY AF Reiner, Andreas Isacoff, Ehud Y. TI Tethered ligands reveal glutamate receptor desensitization depends on subunit occupancy SO NATURE CHEMICAL BIOLOGY LA English DT Article ID HETEROMERIC KAINATE RECEPTORS; MOSSY-FIBER SYNAPSES; ENDOPLASMIC-RETICULUM; SURFACE EXPRESSION; AMPA RECEPTORS; KA-2 SUBUNIT; ION CHANNELS; GLUR6; MECHANISM; TRAFFICKING AB Cell signaling is often mediated by the binding of multiple ligands to multisubunit receptors. The probabilistic nature and sometimes slow rate of binding encountered with diffusible ligands can impede attempts to determine how the ligand occupancy controls signaling in such protein complexes. We describe a solution to this problem that uses a photoswitched tethered ligand as a `ligand clamp' to induce rapid and stable binding and unbinding at defined subsets of subunits. We applied the approach to study gating in ionotropic glutamate receptors (iGluRs), ligand-gated ion channels that mediate excitatory neurotransmission and plasticity at glutamatergic synapses in the brain. We probed gating in two kainate-type iGluRs, GluK2 homotetramers and GluK2-GluK5 heterotetramers. Ultrafast (submillisecond) photoswitching of an azobenzene-based ligand on specific subunits provided a real-time measure of gating and revealed that partially occupied receptors can activate without desensitizing. The findings have implications for signaling by locally released and spillover glutamate. C1 [Reiner, Andreas; Isacoff, Ehud Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Isacoff, Ehud Y.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Reiner, A (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM ehud@berkeley.edu RI Reiner, Andreas/E-4897-2011 OI Reiner, Andreas/0000-0003-0802-7278 FU US National Institutes of Health [2PN2EY018241, U24NS057631]; Deutsche Forschungsgemeinschaft (DFG) [RE 3101/1-1] FX We thank J. Levitz for discussion, and we are grateful to K.M. Partin (Colorado State University) and P.H. Seeburg (Max Planck Institute Heidelberg) for the gift of clones as well as to D. Trauner (Ludwig-Maximilians-Universitat Munchen) for the gift of L-MAG-0 and many stimulating discussions. This work was supported by grants to E.Y.I. from the US National Institutes of Health (2PN2EY018241 and U24NS057631) as well as a postdoctoral fellowship to A.R. from the Deutsche Forschungsgemeinschaft (DFG RE 3101/1-1). NR 59 TC 18 Z9 18 U1 3 U2 18 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1552-4450 EI 1552-4469 J9 NAT CHEM BIOL JI Nat. Chem. Biol. PD APR PY 2014 VL 10 IS 4 BP 273 EP + DI 10.1038/NCHEMBIO.1458 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AD3UY UT WOS:000333172900009 PM 24561661 ER PT J AU Zhang, M de Respinis, M Frei, H AF Zhang, Miao de Respinis, Moreno Frei, Heinz TI Time-resolved observations of water oxidation intermediates on a cobalt oxide nanoparticle catalyst SO NATURE CHEMISTRY LA English DT Article ID OXYGEN-EVOLVING CATALYSTS; RESONANCE RAMAN; DEPENDENT ACTIVITY; CRYSTAL-STRUCTURE; MOLECULAR-OXYGEN; DIOXYGEN ADDUCTS; SOLID-SOLUTIONS; NEUTRAL PH; COMPLEXES; EVOLUTION AB In any artificial photosynthetic system, the oxidation of water to molecular oxygen provides the electrons needed for the reduction of protons or carbon dioxide to a fuel. Understanding how this four-electron reaction works in detail is important for the development of improved robust catalysts made of Earth-abundant materials, like first-row transition-metal oxides. Here, using time-resolved Fourier-transform infrared spectroscopy and under reaction conditions, we identify intermediates of water oxidation catalysed by an abundant metal-oxide catalyst, cobalt oxide (Co3O4). One intermediate is a surface superoxide (three-electron oxidation intermediate absorbing at 1,013 cm(-1)), whereas a second observed intermediate is attributed to an oxo Co(IV) site (one-electron oxidation intermediate absorbing at 840 cm(-1)). The temporal behaviour of the intermediates reveals that they belong to different catalytic sites. Knowledge of the structure and kinetics of surface intermediates will enable the design of improved metal-oxide materials for more efficient water oxidation catalysis. C1 [Zhang, Miao; de Respinis, Moreno; Frei, Heinz] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Zhang, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM hmfrei@lbl.gov FU Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the US Department of Energy (contract no. DE-AC02-05CH11231). NR 57 TC 173 Z9 173 U1 35 U2 344 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD APR PY 2014 VL 6 IS 4 BP 362 EP 367 DI 10.1038/NCHEM.1874 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AD6UH UT WOS:000333396200028 PM 24651205 ER PT J AU Stewart, KD Saenz, JA Hogg, AM Hughes, GO Griffiths, RW AF Stewart, K. D. Saenz, J. A. Hogg, A. Mcc Hughes, G. O. Griffiths, R. W. TI Effect of topographic barriers on the rates of available potential energy conversion of the oceans SO OCEAN MODELLING LA English DT Article DE Meridional overturning circulation; Available potential energy; Surface buoyancy forcing; Ocean energetics; Bottom topography ID OVERTURNING CIRCULATION; WORLD OCEAN; ENERGETICS; SIMULATION; CYCLE; MODEL AB Determining the energy budget of the oceans requires evaluating the rates of available potential energy conversion in the circulation. Calculating these conversion rates depends upon the definition of an appropriate "reference'' state of the density field, but this definition is complicated in the oceans by the presence of bottom topography. The trapping of dense fluid by topographic barriers means that there are multiple definitions for the reference state. The approach taken in this paper is to examine the sensitivity of the available potential energy budget to several methods for defining the reference state. The first method makes allowances for restrictions imposed on the flow by topography, however it is computationally intensive. The second method is proposed as an inexpensive alternative to the first. These new methods are used to evaluate the energy budget of a model overturning circulation maintained by surface buoyancy forcing. The results are compared with those obtained from two existing methods; one which employs an adiabatic resorting procedure ignoring topography, and one which uses a reference profile developed from the horizontal average of the density field. In our model, the rates of available potential energy conversion are insensitive to the reference state definition providing the reference state is developed from an adiabatic resorting of the domain. These results suggest that any of the adiabatic resorting methods proposed here would be sufficient to evaluate the rates of energy conversion in the ocean. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Stewart, K. D.] Johns Hopkins Univ, Dept Earth & Planetary Sci, Baltimore, MD 21218 USA. [Saenz, J. A.; Hogg, A. Mcc; Hughes, G. O.; Griffiths, R. W.] Australian Natl Univ, Res Sch Earth Sci, Acton, ACT, Australia. [Saenz, J. A.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Theoret Div, Los Alamos, NM USA. [Hogg, A. Mcc] Australian Natl Univ, ARC Ctr Excellence Climate Syst Sci, Acton, ACT, Australia. RP Stewart, KD (reprint author), Johns Hopkins Univ, Dept Earth & Planetary Sci, Baltimore, MD 21218 USA. EM kialstewart@jhu.edu RI Hogg, Andy/A-7553-2011; griffiths, ross/E-6121-2010; Hughes, Graham/B-5960-2011; Stewart, Kial/P-6684-2016 OI Hogg, Andy/0000-0001-5898-7635; griffiths, ross/0000-0002-5291-1178; Hughes, Graham/0000-0003-4925-8822; Stewart, Kial/0000-0002-9947-1958 FU Australian Research Council [DP1094542, DP120102744, FT120100842, FT100100869] FX We are grateful to Fabien Roquet and an anonymous referee for their helpful comments that have improved this manuscript. This work was funded by the Australian Research Council DP1094542 and DP120102744. AMH and GOH were also supported by Australian Research Council Future Fellowships FT120100842 and FT100100869, respectively. Numerical computations were conducted using the National Facility of the Australian National Computational Infrastructure. NR 26 TC 6 Z9 6 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 EI 1463-5011 J9 OCEAN MODEL JI Ocean Model. PD APR PY 2014 VL 76 BP 31 EP 42 DI 10.1016/j.ocemod.2014.02.001 PG 12 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA AD7QC UT WOS:000333458000003 ER PT J AU Pristas, G Gabani, S Gazo, E Komanicky, V Orendac, M You, H AF Pristas, Gabriel Gabani, Slavomir Gazo, Emil Komanicky, Vladimir Orendac, Matus You, Hoydoo TI Influence of hydrostatic pressure on superconducting properties of niobium thin film SO THIN SOLID FILMS LA English DT Article DE Superconductivity; Niobium; High pressure; Thin films ID TRANSITION AB We have studied superconducting properties of niobium thin films under hydrostatic pressures up to 3 GPa. The films with thickness of 100 nm were prepared in the high vacuum DC magnetron sputtering system (with critical temperature TC = 8.95 K at ambient pressure). The produced high quality films have been characterized using electrical resistivity and magnetization measurements, X-ray diffraction, and atomic force microscope imaging. We have observed increase of TC with increasing value of applied pressure (dTC/dp = 73 mK/GPa) up to 3 GPa. This observation is different to pressure effect observed on bulk sample of Nb. In this paper we are discussing the origin of this discrepancy. (C) 2014 Elsevier B.V. All rights reserved. C1 [Pristas, Gabriel; Gabani, Slavomir; Gazo, Emil] Slovak Acad Sci, Inst Expt Phys, Ctr Low Temp Phys, Kosice 04001, Slovakia. [Komanicky, Vladimir; Orendac, Matus] Safarik Univ, Fac Sci, Ctr Low Temp, Kosice SK-04154, Slovakia. [You, Hoydoo] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Pristas, G (reprint author), Slovak Acad Sci, Inst Expt Phys, Ctr Low Temp Phys, Watsonova 47, Kosice 04001, Slovakia. RI You, Hoydoo/A-6201-2011; Orendac, Martin/H-4923-2016 OI You, Hoydoo/0000-0003-2996-9483; FU CFNT MVEP - the Center of Excellence of the Slovak Academy of Sciences [VEGA 2/0135/13, VEGA 1/0782/12, APVV 0036-11, APVV-VVCE 0058]; 7th FP EU-Microkelvin; EU [ERDF-ITMS26220120047]; U.S. Steel Kosice, S.R.O. FX This work has been supported by the project VEGA 2/0135/13, VEGA 1/0782/12, APVV 0036-11, APVV-VVCE 0058, CFNT MVEP - the Center of Excellence of the Slovak Academy of Sciences, 7th FP EU-Microkelvin and the EU ERDF-ITMS26220120047. We would like to thank to Dominik Jenik for help with AFM pictures analysis. The liquid nitrogen for the experiment has been sponsored by the U.S. Steel Kosice, S.R.O. NR 16 TC 6 Z9 6 U1 0 U2 18 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 APR 1 PY 2014 VL 556 BP 470 EP 474 DI 10.1016/j.tsf.2014.01.062 PG 5 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA AD2SO UT WOS:000333085700075 ER PT J AU Platt, HAS Li, YJ Novak, JP van Hest, MFAM AF Platt, Heather A. S. Li, Yunjun Novak, James P. van Hest, Maikel F. A. M. TI Non-contact printed aluminum for metallization of Si photovoltaics SO THIN SOLID FILMS LA English DT Article DE Non-contact printing; Wafer silicon solar cell; Aluminum ink ID SILICON SOLAR-CELLS; BACK-SURFACE FIELD AB Aerosol jet printing is a contactless deposition technique that is ideally suited to depositing features on very thin and fragile substrates such as Si wafers. It can also be used to optimize device geometries including the Al back contact of a Si wafer solar cell quickly. A printable Al ink is required for this process, and we report lines and solar cells prepared with such a material. The resistivities of the printed Al lines approach bulk after appropriate sintering. Al lines printed on Si wafers have been heated over a wide temperature range of 550 to 800 degrees C to form low resistance contacts suitable for current extraction. Aerosol jet printed Al contacts to industrially produced 21 cm(2) polycrystalline Si solar cells performed on par with all screen printed contacts on similar cells. These promising results demonstrate the potential for non-contact printed Al to contribute to the fabrication of low-cost photovoltaic devices and modules. (C) 2014 Published by Elsevier B.V. C1 [Platt, Heather A. S.; van Hest, Maikel F. A. M.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. [Li, Yunjun; Novak, James P.] Appl Nanotech Inc, Austin, TX 78758 USA. RP van Hest, MFAM (reprint author), Natl Renewable Energy Lab, Natl Ctr Photovolta, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM maikel.van.hest@nrel.gov FU US Department of Energy [DE-FG02-08ER85085] FX The authors would like to thank the US Department of Energy for funding this work under contract DE-FG02-08ER85085. NR 15 TC 0 Z9 0 U1 1 U2 15 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 APR 1 PY 2014 VL 556 BP 525 EP 528 DI 10.1016/j.tsf.2014.01.060 PG 4 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA AD2SO UT WOS:000333085700084 ER PT J AU Zhao, RN Han, JG Duan, YH AF Zhao, Run-Ning Han, Ju-Guang Duan, Yuhua TI Density Functional theory investigations on the geometrical and electronic properties and growth patterns of Si-n (n=10-20) clusters with bimetal Pd-2 impurities SO THIN SOLID FILMS LA English DT Article DE Bimetal doping; Palladium; Silicon; Clusters; Growth-pattern geometry; Stability; Density functional theory ID PHOTOELECTRON-SPECTROSCOPY; SILICON; STABILITIES; POTENTIALS; BEHAVIOR; CAGE; BI AB The geometrical and electronic properties and growth patterns of the bimetal Pd-2 doped Si-n (n = 10-20) clusters have been studied systematically by density functional theory. The growth-pattern behaviors, relative stabilities, and chemical bonding of these clusters are presented and discussed. The optimized geometries exhibit that the dominant growth patterns of Pd2Sin (n = 10-20) are based on the pentagonal prism PdSi10. The bimetal Pd-2 is doped on the opened cage-like silicon clusters (Si-n) with the range of size n = 10-15, while doped on bigger silicon clusters (Si-n, n = 16-20), the Pd-2 are completely encapsulated inside Si-n frames. The geometrical configurations of the encapsulated Pd-2 in the Si-n frames are varied due to the interactions between Pd-2 and Si-n frames. The calculated fragmentation energies reveal that the remarkable stable Pd2Sin clusters with n = 11, 13, 16, 18, and 20 are observed. Among all different-size clusters, the Pd-2-doped Si-16 is the most stable cluster. Particularly, the cage-like Pd2Si16 geometry is obviously distinct as compared to the single transition metal doped silicon cluster. Interestingly, the critical size of geometry transition is explored at n = 16. Natural population analysis manifests that the charge-transfer phenomena in the Pd-2-doped Si-n clusters are similar to those of the single TM doped silicon clusters. In addition, the Pd2Sin (n = 10, 13, 14, 16, and 17) isomers have enhanced chemical stabilities because of their larger gaps between the highest occupied orbital and the lowest unoccupied orbital. (C) 2014 Elsevier B.V. All rights reserved. C1 [Zhao, Run-Ning] Shanghai DianJi Univ, Inst Appl Math & Phys, Shanghai 201306, Peoples R China. [Han, Ju-Guang] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China. [Duan, Yuhua] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Han, JG (reprint author), Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China. EM jghan@ustc.edu.cn RI Duan, Yuhua/D-6072-2011 OI Duan, Yuhua/0000-0001-7447-0142 FU Chinese National Natural Science Fund [11179035, 10979048, 10875126]; 973 fund of the Chinese Ministry of Science and Technology [2010CB934504]; Physical Electronics Disciplines [12XKJC01]; Innovation Progrom of Shanghai Municipal Education Commission [14YZ164] FX This work is supported by Chinese National Natural Science Fund (11179035, 10979048, 10875126) and the 973 fund of the Chinese Ministry of Science and Technology (2010CB934504) as well as Physical Electronics Disciplines (No: 12XKJC01) and Innovation Progrom of Shanghai Municipal Education Commission (14YZ164). The computational work of this paper performed partly on the Supercomputing Center of University of Science and Technology of China. NR 33 TC 14 Z9 14 U1 4 U2 38 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 APR 1 PY 2014 VL 556 BP 571 EP 579 DI 10.1016/j.tsf.2014.02.019 PG 9 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA AD2SO UT WOS:000333085700092 ER PT J AU Tong, ZX Fu, PC Zhou, SP Dafalias, YF AF Tong, Zhaoxia Fu, Pengcheng Zhou, Shaopeng Dafalias, Yannis F. TI Experimental investigation of shear strength of sands with inherent fabric anisotropy SO ACTA GEOTECHNICA LA English DT Article DE Anisotropic strength; Direct shear test; Fabric anisotropy; Sand strength; Shear strength ID GRANULAR-MATERIALS; BEARING CAPACITY; SOILS; MODEL; PARTICLES; STABILITY; BEHAVIOR; TESTS AB Loading direction-dependent strength of sand has been traditionally characterized in the principal stress space as a direct extension of the Mohr-Coulomb criterion. A recent study found that it is more appropriate to define anisotropic strength of sand on failure/shear planes, but this proposition has only been demonstrated with discrete element method (DEM) simulations. The present study experimentally investigates anisotropic shear strength of sands in this new framework. Three granular materials with distinct grain characteristics ranging from smooth and rounded particles to flaky and angular particles are tested with the bedding plane inclination angle psi (b) varying over the full range of 0A degrees-180A degrees. The main objective is to study how the peak friction angle I center dot (p) of sand is affected by the psi (b) angle and how the psi (b)-I center dot (p) relationship evolves with the change of characteristics of constituent sand particles. We find that the general trend of psi (b)-I center dot (p) curves for real sands resembles what was predicted by DEM in a previous study, whereas rich anisotropic strength behavior is revealed by the laboratory data. The effects of normal stress and initial density, as well as shear dilation behavior at different shear directions, are also studied. C1 [Tong, Zhaoxia; Zhou, Shaopeng] Beihang Univ, Sch Transportat Sci & Engn, Beijing 100191, Peoples R China. [Fu, Pengcheng] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. [Dafalias, Yannis F.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. [Dafalias, Yannis F.] Natl Tech Univ Athens, Dept Mech, Sch Appl Math & Phys Sci, GR-15773 Athens, Greece. RP Fu, PC (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. EM tongzx@buaa.edu.cn; fu4@llnl.gov; zhoushaoepng1987@163.com; jfdafalias@ucdavis.edu RI Fu, Pengcheng/D-7483-2012 OI Fu, Pengcheng/0000-0002-7408-3350 FU National Basic Research Program of China (973 Program) [2014CB047006]; Beijing Natural Science Foundation [8133053]; National Natural Science Foundation of China [10902005, 51079075]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-564293]; European Research Council under the European Union's Seventh Framework Program [290963]; US NSF [CMMI-1162096] FX This work was made possible through extensive international collaboration. The laboratory work was performed by Tong and Zhou at Beihang University, supported by National Basic Research Program of China (973 Program) (contract number 2014CB047006), Beijing Natural Science Foundation (contract number 8133053) and the National Natural Science Foundation of China (contract number 10902005 and 51079075). Fu's work was partly performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL release number: LLNL-JRNL-564293). Y. F. Dafalias acknowledges support by the European Research Council under the European Union's Seventh Framework Program (FP7/2007-2013)/ERC IDEAS Advanced Grant Agreement No. 290963 (SOMEF) and partial support by the US NSF project CMMI-1162096. NR 39 TC 12 Z9 12 U1 3 U2 31 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1861-1125 EI 1861-1133 J9 ACTA GEOTECH JI Acta Geotech. PD APR PY 2014 VL 9 IS 2 BP 257 EP 275 DI 10.1007/s11440-014-0303-6 PG 19 WC Engineering, Geological SC Engineering GA AD3GL UT WOS:000333126200006 ER PT J AU Parra-Vasquez, ANG Duque, JG Green, MJ Pasquali, M AF Parra-Vasquez, A. Nicholas G. Duque, Juan G. Green, Micah J. Pasquali, Matteo TI Assessment of length and bundle distribution of dilute single-walled carbon nanotubes by viscosity measurements SO AICHE JOURNAL LA English DT Article DE carbon nanotubes; atomic force microscopy; shear thinning; polydispersity; rheology ID DYNAMIC LIGHT-SCATTERING; HIPCO PROCESS; IN-VITRO; FILMS; TRANSPARENT; SUSPENSIONS; DISPERSION; FLUORESCENCE; AGGREGATION; PARTICLES AB Rheological measurements have long been an invaluable technique in studying mechanical and structural properties of polymers. Measurements on dilute, noninteracting polymer solutions allow the determination of macromolecular structural information, such as molecular weight. This analysis has been complicated by molecular polydispersity; thus, average effects are more commonly reported. Here, we demonstrate polydispersity characterization for rod-like polymers like single-walled carbon nanotubes (SWCNTs). By extending the theory of the rheological behavior of rigid rods, we determine the distribution of length and bundle size in suspensions of SWCNTs by a simple rheological method. The method is based on measuring the viscosity of dilute suspended SWCNTs over a shear rate range spanning the Newtonian and shear-thinning regimes. We show that a log-normal distribution in length with minimal bundling accurately describes the viscosity measurements. This rapid new method yields the SWCNT length distribution while relying on bulk samples, which are less prone to artifacts. (c) 2014 American Institute of Chemical Engineers AIChE J, 60: 1499-1508, 2014 C1 [Parra-Vasquez, A. Nicholas G.; Duque, Juan G.; Green, Micah J.; Pasquali, Matteo] Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA. [Parra-Vasquez, A. Nicholas G.; Duque, Juan G.; Green, Micah J.; Pasquali, Matteo] Rice Univ, Richard E Smalley Inst Nanoscale Sci & Technol, Houston, TX 77005 USA. [Parra-Vasquez, A. Nicholas G.; Duque, Juan G.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. [Green, Micah J.] Texas Tech Univ, Dept Chem Engn, Lubbock, TX 79409 USA. [Pasquali, Matteo] Rice Univ, Dept Chem, Houston, TX 77005 USA. [Pasquali, Matteo] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA. RP Pasquali, M (reprint author), Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA. EM mp@rice.edu RI Pasquali, Matteo/A-2489-2008; Green, Micah/C-7647-2011 OI Pasquali, Matteo/0000-0001-5951-395X; Green, Micah/0000-0001-5691-0861 FU AFOSR Grants [FA9550-06-1-0207, FA9550-09-1-0590]; Robert A. Welch Foundation Grant [C-1668]; Evans-Attwell Welch Postdoctoral Fellowship FX We acknowledge J.A. Fagan at NIST, Gaithersburg, MD, for providing nanotube samples for measurement. We wish to acknowledge funding from AFOSR Grants FA9550-06-1-0207 and FA9550-09-1-0590, the Robert A. Welch Foundation Grant C-1668, and the Evans-Attwell Welch Postdoctoral Fellowship. We thank Stephen Doorn of LANL for access to Raman instrumentation. NR 60 TC 6 Z9 6 U1 2 U2 38 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0001-1541 EI 1547-5905 J9 AICHE J JI AICHE J. PD APR PY 2014 VL 60 IS 4 BP 1499 EP 1508 DI 10.1002/aic.14325 PG 10 WC Engineering, Chemical SC Engineering GA AC5YH UT WOS:000332596400027 ER PT J AU Welsh, A Chee-Sanford, JC Connor, LM Loffler, FE Sanford, RA AF Welsh, Allana Chee-Sanford, Joanne C. Connor, Lynn M. Loeffler, Frank E. Sanford, Robert A. TI Refined NrfA Phylogeny Improves PCR-Based nrfA Gene Detection SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID C NITRITE REDUCTASE; DISSIMILATORY NITRATE REDUCTION; MULTIPLE SEQUENCE ALIGNMENT; NOV SP-NOV; NITROGEN-CYCLE; WOLINELLA-SUCCINOGENES; CAMPYLOBACTER-JEJUNI; ESCHERICHIA-COLI; CYTOCHROME; EVOLUTION AB Dissimilatory nitrate reduction to ammonium (DNRA) and denitrification are contrasting microbial processes in the terrestrial nitrogen (N) cycle, in that the former promotes N retention and the latter leads to N loss (i.e., the formation of gaseous products). The nitrite reductase NrfA catalyzes nitrite reduction to ammonium, the enzyme associated with respiratory nitrite ammonification and the key step in DNRA. Although well studied biochemically, the diversity and phylogeny of this enzyme had not been rigorously analyzed. A phylogenetic analysis of 272 full-length NrfA protein sequences distinguished 18 NrfA clades with robust statistical support (>90% Bayesian posterior probabilities). Three clades possessed a CXXCH motif in the first heme-binding domain, whereas all other clades had a CXXCK motif in this location. The analysis further identified a KXRH or KXQH motif between the third and fourth heme-binding motifs as a conserved and diagnostic feature of all pentaheme NrfA proteins. PCR primers targeting a portion of the heme-binding motifs that flank this diagnostic region yielded the expected 250-bp-long amplicons with template DNA from eight pure cultures and 16 new nrfA-containing isolates. nrfA amplicons obtained with template DNA from two geomorphically distinct agricultural soils could be assigned to one of the 18 NrfA clades, providing support for this expanded classification. The extended NrfA phylogeny revealed novel diagnostic features of DNRA populations and will be useful to assess nitrate/nitrite fate in natural and engineered ecosystems. C1 [Welsh, Allana; Chee-Sanford, Joanne C.; Sanford, Robert A.] Univ Illinois, Urbana, IL 61801 USA. [Chee-Sanford, Joanne C.; Connor, Lynn M.] USDA ARS, Urbana, IL USA. [Loeffler, Frank E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Loeffler, Frank E.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37932 USA. [Loeffler, Frank E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA. [Loeffler, Frank E.] Univ Tennessee, Oak Ridge, TN USA. [Loeffler, Frank E.] JIBS, Oak Ridge Natl Lab UT ORNL, Oak Ridge, TN USA. [Loeffler, Frank E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Welsh, A (reprint author), Univ Illinois, Urbana, IL 61801 USA. EM welsh@illinois.edu FU U.S. Department of Energy, Office of Biological and Environmental Research, Genomic Science Program [DE-SC0006662]; USDA-ARS CRIS [3611-12220-008-00D] FX This research was supported by the U.S. Department of Energy, Office of Biological and Environmental Research, Genomic Science Program, award DE-SC0006662, and USDA-ARS CRIS Project 3611-12220-008-00D. NR 75 TC 17 Z9 17 U1 5 U2 58 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 APR PY 2014 VL 80 IS 7 BP 2110 EP 2119 DI 10.1128/AEM.03443-13 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AC9FV UT WOS:000332840700008 PM 24463965 ER PT J AU Men, YJ Seth, EC Yi, S Allen, RH Taga, ME Alvarez-Cohen, L AF Men, Yujie Seth, Erica C. Yi, Shan Allen, Robert H. Taga, Michiko E. Alvarez-Cohen, Lisa TI Sustainable Growth of Dehalococcoides mccartyi 195 by Corrinoid Salvaging and Remodeling in Defined Lactate-Fermenting Consortia SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID DESULFOVIBRIO-VULGARIS HILDENBOROUGH; ETHENOGENES STRAIN 195; TRANSCRIPTOMIC MICROARRAY ANALYSIS; EUBACTERIUM-LIMOSUM; ANAEROBIC-BACTERIA; 5,6-DIMETHYLBENZIMIDAZOLE MOIETY; CARBON-TETRACHLORIDE; ENRICHMENT CULTURE; GENOME SEQUENCE; SPOROMUSA-OVATA AB Corrinoids are essential cofactors of reductive dehalogenases in Dehalococcoides mccartyi, an important bacterium in bioremediation, yet sequenced D. mccartyi strains do not possess the complete pathway for de novo corrinoid biosynthesis. Pelosinus sp. and Desulfovibrio sp. have been detected in dechlorinating communities enriched from contaminated groundwater without exogenous cobalamin corrinoid. To investigate the corrinoid-related interactions among key members of these communities, we constructed consortia by growing D. mccartyi strain 195 (Dhc195) in cobalamin-free, trichloroethene (TCE)- and lactate-amended medium in cocultures with Desulfovibrio vulgaris Hildenborough (DvH) or Pelosinus fermentans R7 (PfR7) and with both in tricultures. Only the triculture exhibited sustainable dechlorination and cell growth when a physiological level of 5,6-dimethylbenzimidazole (DMB), the lower ligand of cobalamin, was provided. In the triculture, DvH provided hydrogen while PfR7 provided corrinoids to Dhc195, and the initiation of dechlorination and Dhc195 cell growth was highly dependent on the growth of PfR7. Corrinoid analysis indicated that Dhc195 imported and remodeled the phenolic corrinoids produced by PfR7 into cobalamin in the presence of DMB. Transcriptomic analyses of Dhc195 showed the induction of the CbiZ-dependent corrinoid-remodeling pathway and BtuFCD corrinoid ABC transporter genes during corrinoid salvaging and remodeling. In contrast, another operon annotated to encode a putative iron/cobalamin ABC transporter (DET1174-DET1176) was induced when cobalamin was exogenously provided. Interestingly, a global upregulation of phage-related genes was observed when PfR7 was present. These findings provide insights into both the gene regulation of corrinoid salvaging and remodeling in Dhc195 when it is grown without exogenous cobalamin and microbe-to-microbe interactions in dechlorinating microbial communities. C1 [Men, Yujie; Yi, Shan; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Seth, Erica C.; Taga, Michiko E.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Allen, Robert H.] Univ Colorado, Dept Med, Div Hematol, Aurora, CO USA. [Alvarez-Cohen, Lisa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Alvarez-Cohen, L (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM alvarez@ce.berkeley.edu RI Yi, Shan/I-4589-2012 OI Yi, Shan/0000-0003-1371-0418 FU NIEHS [P42ES004705] FX This research was supported by NIEHS Superfund project P42ES004705. NR 51 TC 14 Z9 14 U1 9 U2 44 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 APR PY 2014 VL 80 IS 7 BP 2133 EP 2141 DI 10.1128/AEM.03477-13 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AC9FV UT WOS:000332840700011 PM 24463969 ER PT J AU Erbilgin, O McDonald, KL Kerfeld, CA AF Erbilgin, Onur McDonald, Kent L. Kerfeld, Cheryl A. TI Characterization of a Planctomycetal Organelle: a Novel Bacterial Microcompartment for the Aerobic Degradation of Plant Saccharides SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID B-12-DEPENDENT 1,2-PROPANEDIOL DEGRADATION; MULTIPLE SEQUENCE ALIGNMENT; SEROVAR TYPHIMURIUM LT2; L-RHAMNOSE PATHWAY; SALMONELLA-ENTERICA; CARBOXYSOME SHELL; ESCHERICHIA-COLI; L-FUCOSE; ETHANOLAMINE UTILIZATION; PHYLOGENETIC ANALYSIS AB Bacterial microcompartments (BMCs) are organelles that encapsulate functionally linked enzymes within a proteinaceous shell. The prototypical example is the carboxysome, which functions in carbon fixation in cyanobacteria and some chemoautotrophs. It is increasingly apparent that diverse heterotrophic bacteria contain BMCs that are involved in catabolic reactions, and many of the BMCs are predicted to have novel functions. However, most of these putative organelles have not been experimentally characterized. In this study, we sought to discover the function of a conserved BMC gene cluster encoded in the majority of the sequenced planctomycete genomes. This BMC is especially notable for its relatively simple genetic composition, its remote phylogenetic position relative to characterized BMCs, and its apparent exclusivity to the enigmatic Verrucomicrobia and Planctomycetes. Members of the phylum Planctomycetes are known for their morphological dissimilarity to the rest of the bacterial domain: internal membranes, reproduction by budding, and lack of peptidoglycan. As a result, they are ripe for many discoveries, but currently the tools for genetic studies are very limited. We expanded the genetic toolbox for the planctomycetes and generated directed gene knockouts of BMC-related genes in Planctomyces limnophilus. A metabolic activity screen revealed that BMC gene products are involved in the degradation of a number of plant and algal cell wall sugars. Among these sugars, we confirmed that BMCs are formed and required for growth on L-fucose and L-rhamnose. Our results shed light on the functional diversity of BMCs as well as their ecological role in the planctomycetes, which are commonly associated with algae. C1 [Erbilgin, Onur; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [McDonald, Kent L.] Univ Calif Berkeley, Robert D Ogg Electron Microscope Lab, Berkeley, CA USA. [McDonald, Kent L.] Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kerfeld, CA (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM ckerfeld@lbl.gov OI erbilgin, onur/0000-0002-6122-6156 FU NSF [EF1105892] FX This work was supported by the NSF (EF1105892). NR 89 TC 26 Z9 26 U1 7 U2 41 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 APR PY 2014 VL 80 IS 7 BP 2193 EP 2205 DI 10.1128/AEM.03887-13 PG 13 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AC9FV UT WOS:000332840700018 PM 24487526 ER PT J AU Fletcher, DE Lindell, AH Stillings, GK Mills, GL Blas, SA McArthur, JV AF Fletcher, Dean E. Lindell, Angela H. Stillings, Garrett K. Mills, Gary L. Blas, Susan A. McArthur, J. Vaun TI Variation in Trace-Element Accumulation in Predatory Fishes from a Stream Contaminated by Coal Combustion Waste SO ARCHIVES OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY LA English DT Article ID ASH SETTLING BASIN; MERCURY CONCENTRATIONS; METAL CONCENTRATIONS; CORBICULA-FLUMINEA; POLLUTION GRADIENT; ORAL DEFORMITIES; LARGEMOUTH BASS; UNITED-STATES; POWER-PLANT; FOOD-WEB AB Extensive and critical evaluation can be required to assess contaminant bioaccumulation in large predatory fishes. Species differences in habitat use, resource use, and trophic level, often influenced by body form, can result in diverging contaminant bioaccumulation patterns. Moreover, the broad size ranges inherent with large-bodied fish provide opportunity for trophic and habitat shifts within species that can further influence contaminant exposure. We compared contaminant bioaccumulation in four fish species, as well as two herbivorous invertebrates, from a coal combustion waste contaminated stream. Muscle, liver, and gonad tissue were analyzed from fish stratified across the broadest size ranges available. Effects of trophic position (delta N-15), carbon sources (delta C-13), and body size varied among and within species. Mercury and cesium concentrations were lowest in the invertebrates and increased with trophic level both among and within fish species. Other elements, such as vanadium, cadmium, barium, nickel, and lead, had greater levels in herbivorous invertebrates than in fish muscle. Sequestration by the fish livers averted accumulation in muscle. Consequently, fish liver tissue appeared to be a more sensitive indicator of bioavailability, but exceptions existed. Despite liver sequestration, within fishes, muscle concentrations of many elements still tended to increase by trophic level. Notable variation within some species was observed. These results illustrate the utility of stable isotope data in exploring differences of bioaccumulation within taxa. Our analyses suggest a need for further evaluation of the underlying sources of this variability to better understand contaminant bioaccumulation in large predatory fishes. C1 [Fletcher, Dean E.; Lindell, Angela H.; Stillings, Garrett K.; Mills, Gary L.; McArthur, J. Vaun] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Blas, Susan A.] Savannah River Nucl Solut, Area Complet Projects, Aiken, SC 29808 USA. RP Fletcher, DE (reprint author), Univ Georgia, Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. EM fletcher@srel.uga.edu FU Area Completion Projects-SRNS; Department of Energy [DE-FC09-07SR22506] FX Funding was provided by the Area Completion Projects-SRNS. This work was also supported by the Department of Energy with the patient under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. We thank Gary Meffe for insightful comments that improved this manuscript and David Kling, Cynthia Tant, Beryl Walker, and Chandler Tuckfield for field and laboratory assistance, Tracye Murphy and John Seaman for trace element analysis, and Tom Maddox for SIA. 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 62 TC 2 Z9 2 U1 1 U2 41 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0090-4341 EI 1432-0703 J9 ARCH ENVIRON CON TOX JI Arch. Environ. Contam. Toxicol. PD APR PY 2014 VL 66 IS 3 BP 341 EP 360 DI 10.1007/s00244-013-9984-3 PG 20 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA AC8MP UT WOS:000332787500003 PM 24384693 ER PT J AU Gallant, MA Brown, DM Hammond, M Wallace, JM Du, J Deymier-Black, AC Almer, JD Stock, SR Allen, MR Burr, DB AF Gallant, Maxime A. Brown, Drew M. Hammond, Max Wallace, Joseph M. Du, Jiang Deymier-Black, Alix C. Almer, Jonathan D. Stock, Stuart R. Allen, Matthew R. Burr, David B. TI Bone cell-independent benefits of raloxifene on the skeleton: A novel mechanism for improving bone material properties SO BONE LA English DT Article DE Raloxifene; Mechanical testing; Toughness; Water ID ESTROGEN-RECEPTOR MODULATORS; HUMAN CORTICAL BONE; IN-VITRO; POSTMENOPAUSAL WOMEN; TOUGHNESS; STRENGTH; COLLAGEN; WATER; OSTEOPOROSIS; APOPTOSIS AB Raloxifene is an FDA approved agent used to treat bone loss and decrease fracture risk. In clinical trials and animal studies, raloxifene reduces fracture risk and improves bone mechanical properties, but the mechanisms of action remain unclear because these benefits occur largely independent of changes to bone mass. Using a novel experimental approach, machined bone beams, both from mature male canine and human male donors, were depleted of living cells and then exposed to raloxifene ex vivo. Our data show that ex vivo exposure of non-viable bone to raloxifene improves intrinsic toughness, both in canine and human cortical bone beams tested by 4-point bending. These effects are cell-independent and appear to be mediated by an increase in matrix bound water, assessed using basic gravimetric weighing and sophisticated ultrashort echo time magnetic resonance imaging. The hydroxyl groups (-OH) on raloxifene were shown to be important in both the water and toughness increases. Wide and small angle X-ray scattering patterns during 4-pt bending show that raloxifene alters the transfer of load between the collagen matrix and the mineral crystals, placing lower strains on the mineral, and allowing greater overall deformation prior to failure. Collectively, these findings provide a possible mechanistic explanation for the therapeutic effect of raloxifene and more importantly identify a cell-independent mechanism that can be utilized for novel pharmacological approaches for enhancing bone strength. (C) 2014 Elsevier Inc. All rights reserved. C1 [Gallant, Maxime A.; Brown, Drew M.; Allen, Matthew R.; Burr, David B.] Indiana Univ Sch Med, Dept Anat & Cell Biol, Indianapolis, IN 46202 USA. [Hammond, Max] Purdue Univ, Weldon Sch Biomed Engn, W Lafayette, IN 47907 USA. [Wallace, Joseph M.; Burr, David B.] Indiana Univ Purdue Univ, Dept Biomed Engn, Indianapolis, IN 46202 USA. [Du, Jiang] Univ Calif San Diego, Dept Radiol, San Diego, CA 92103 USA. [Deymier-Black, Alix C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Almer, Jonathan D.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Stock, Stuart R.] Northwestern Univ, Feinberg Sch Med, Dept Mol Pharmacol & Biol Chem, Chicago, IL 60611 USA. RP Burr, DB (reprint author), Indiana Univ Sch Med, Dept Anat & Cell Biol, 635 Barnhill Dr,MS-5035, Indianapolis, IN 46202 USA. EM dburr@iupui.edu RI Du, jiang/J-8286-2014; Wallace, Joseph/G-7906-2012; OI Du, jiang/0000-0002-9203-2450; Hammond, Max/0000-0003-2103-7884 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH1135]; NIH FX The authors would like to thank Dr. Paul K. Hansma (Department of Physics, University of California, Santa Barbara), for suggesting the soaking technique and Dr. John Okasinski, Advanced Photon Source, for helping collect the WAXS data. Raloxifene was kindly provided by Eli Lilly (Indianapolis, IN, USA) under a Material Transfer Agreement to D.B.B. Eli Lilly was not involved in the study design, analyses or interpretation of the results. We are grateful to Dr. Susan J. Gunst for sharing dog tissue. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This work was supported by NIH grants to D.B.B. and M.R.A. NR 37 TC 26 Z9 26 U1 0 U2 5 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 8756-3282 EI 1873-2763 J9 BONE JI Bone PD APR PY 2014 VL 61 BP 191 EP 200 DI 10.1016/j.bone.2014.01.009 PG 10 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA AC8WL UT WOS:000332815700025 PM 24468719 ER PT J AU Yazdanpanah, F Sokhansanj, S Lim, J Lau, A Bi, XT Lam, PY Melin, S AF Yazdanpanah, Fahimeh Sokhansanj, Shahab Lim, Jim Lau, Anthony Bi, Xiaotao Lam, Pak Yiu Melin, Staffan TI Potential for Flammability of Gases Emitted From Stored Wood Pellets SO CANADIAN JOURNAL OF CHEMICAL ENGINEERING LA English DT Article DE wood pellet; storage; off-gassing; storage temperature; moisture content; flammability ID CARBON-MONOXIDE; OXYGEN DEPLETION; EMISSIONS; STORAGE; TRANSPORTATION; HEADSPACE AB Previous measurements have shown that freshly made wood pellets continued to emit flammable gases such as CO, H-2 and CH4 during storage and handling. The research reported in this paper examines whether the concentration of these emitted gases and the available oxygen within enclosed wood pellet spaces can reach flammable levels. Glass jars filled to 75% volume with pellets were sealed and placed in controlled environments at 25, 40 and 60 degrees C for a period of 9 weeks. Each batch of the stored pellet had a moisture content of 4%, 9%, 15%, 35% or 50% (wet mass basis). The concentrations of carbon monoxide (CO), carbon dioxide (CO2), methane (CH4), oxygen (O-2), nitrogen (N-2) and hydrogen (H-2) were determined using gas chromatography. The flammability of the gas mixtures in the container headspace was calculated using ISO 10156 Standard Gases and gas mixturesDetermination of fire and oxidizing ability for selection of cylinder valve outlets.' It was concluded that the composition of the gas mixture does not reach flammable concentrations under all experimental conditions. C1 [Yazdanpanah, Fahimeh; Sokhansanj, Shahab; Lim, Jim; Lau, Anthony; Bi, Xiaotao; Lam, Pak Yiu; Melin, Staffan] Univ British Columbia, Chem & Biol Engn Dept, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Melin, Staffan] Delta Res Corp, Delta, BC, Canada. RP Yazdanpanah, F (reprint author), Univ British Columbia, Chem & Biol Engn Dept, Vancouver, BC V6T 1Z3, Canada. EM fyazdanpanah@chbe.ubc.ca RI Lau, Anthony/J-8519-2015 FU Wood pellet Association of Canada; Natural Sciences and Engineering Research Council of Canada FX This research was funded in parts by the Wood pellet Association of Canada, and by Natural Sciences and Engineering Research Council of Canada. Pellets were provided by Pinnacle Renewable Energy Group, Inc., Vancouver, BC, Canada. NR 20 TC 2 Z9 2 U1 6 U2 21 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 APR PY 2014 VL 92 IS 4 BP 603 EP 609 DI 10.1002/cjce.21909 PG 7 WC Engineering, Chemical SC Engineering GA AC4PQ UT WOS:000332503600003 ER PT J AU Tomasi, D Volkow, ND AF Tomasi, Dardo Volkow, Nora D. TI Functional Connectivity of Substantia Nigra and Ventral Tegmental Area: Maturation During Adolescence and Effects of ADHD SO CEREBRAL CORTEX LA English DT Article DE addiction; attention-deficit; hyperactivity disorder; connectivity; dopamine; maturation ID DEFAULT MODE NETWORK; DEFICIT/HYPERACTIVITY DISORDER; INDIVIDUAL-DIFFERENCES; PREFRONTAL CORTEX; DOPAMINE; ATTENTION; FMRI; ACTIVATION; CHILDREN; METHYLPHENIDATE AB Dopaminergic (DArgic) pathways play crucial roles in brain function and their disruption is implicated in various neuropsychiatric diseases. Here, we demonstrate in 402 healthy children/adolescents (12 3 years) and 704 healthy young adults (23 5 years) that the functional connectivity of DA pathways matures significantly from childhood to adulthood and is different for healthy children and children with attention-deficit/hyperactivity disorder (ADHD; N 203; 12 3 years). This transition is characterized by age-related increases in the functional connectivity of the ventral tegmental area (VTA) with limbic regions and with the default mode network and by decreases in the connectivity of the substantia nigra (SN) with motor and medial temporal cortices. The changes from a predominant influence of SN in childhood/adolescence to a combined influence of SN and VTA in young adulthood might explain the increased vulnerability to psychiatric disorders, such as ADHD, early in life. We also show that VTA and SN connectivity networks were highly reproducible, which highlights their potential value as biomarkers for evaluating DArgic dysfunction in neuropsychiatric disorders. C1 [Tomasi, Dardo; Volkow, Nora D.] NIAAA, Bethesda, MD USA. [Tomasi, Dardo; Volkow, Nora D.] Brookhaven Natl Lab, Lab Neuroimaging LNI NIAAA, Dept Med, Upton, NY 11973 USA. [Volkow, Nora D.] NIA, Bethesda, MD 20892 USA. RP Tomasi, D (reprint author), Brookhaven Natl Lab, Lab Neuroimaging LNI NIAAA, Dept Med, Bldg 490,30 Bell Ave, Upton, NY 11973 USA. EM tomasi@bnl.gov RI Tomasi, Dardo/J-2127-2015 FU National Institute on Alcohol Abuse and Alcoholism [2RO1AA09481] FX This work was accomplished with support from the National Institute on Alcohol Abuse and Alcoholism (2RO1AA09481). NR 48 TC 23 Z9 23 U1 1 U2 16 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1047-3211 EI 1460-2199 J9 CEREB CORTEX JI Cereb. Cortex PD APR PY 2014 VL 24 IS 4 BP 935 EP 944 DI 10.1093/cercor/bhs382 PG 10 WC Neurosciences SC Neurosciences & Neurology GA AD2FC UT WOS:000333048200008 PM 23242198 ER PT J AU Karewar, SV Gupta, N Caro, A Srinivasan, SG AF Karewar, S. V. Gupta, N. Caro, A. Srinivasan, S. G. TI A concentration dependent embedded atom method potential for the Mg-Li system SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Interatomic potentials; CD-EAM; Atomistic simulations; Molecular dynamics; Phase diagram ID MAGNESIUM SOLID SOLUTIONS; INTERATOMIC POTENTIALS; ELASTIC-CONSTANTS; ENERGY CALCULATIONS; ALLOYS; LITHIUM; METALS; ALUMINUM; MODEL; AL AB We have developed a thermodynamically and mechanically reliable concentration dependent embedded atom method interatomic potential for the Mg-Li system using first principles and experimental inputs. Pure elemental potentials from first principles theory and heat of mixing from the experiments are the inputs to the cross pair interaction. This simple potential is able to predict various properties of the Mg-Li alloy such as lattice parameter, heat of mixing, stacking fault energy and bulk modulus as a function of composition and temperature, in good agreement with literature data. Most importantly, it can reproduce experimental Mg-Li phase diagram. We demonstrate its transferability for thermal and mechanical behavior studies across entire concentration range in large-scale atomistic simulations. (C) 2013 Elsevier B.V. All rights reserved. C1 [Karewar, S. V.; Gupta, N.; Srinivasan, S. G.] Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA. [Caro, A.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Srinivasan, SG (reprint author), Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA. EM srinivasan.srivilliputhur@unt.edu FU National Science Foundation [0846444]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences through the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center [2008LANL1026] FX SVK and SGS acknowledge the funding by National Science Foundation Grant 0846444. AC acknowledges partial financial support by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. 2008LANL1026 through the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center. We would like to acknowledge the useful discussions with Liang Zhang (MIT, USA), Alberto Fraile (INF, Spain), Dr. Enrique Martinez (LANL, USA) and Dr. Priya Gopal (UNT, USA). NR 41 TC 4 Z9 4 U1 5 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD APR 1 PY 2014 VL 85 BP 172 EP 178 DI 10.1016/j.commatsci.2013.12.037 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA AB3XR UT WOS:000331724000023 ER PT J AU Gerboth, M Setyawan, W Henager, CH AF Gerboth, Matthew Setyawan, Wahyu Henager, Charles H., Jr. TI Displacement threshold energy and recovery in an Al-Ti nanolayered system with intrinsic point defect partitioning SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Radiation damage; Nanostructured multilayers; Displacement threshold energy; Pseudo-random direction ID TRANSMISSION ELECTRON-MICROSCOPY; MOLECULAR-DYNAMICS SIMULATIONS; NANOSTRUCTURED FERRITIC ALLOY; AUGMENTED-WAVE METHOD; RADIATION-DAMAGE; ION-IRRADIATION; HELIUM; HE; COMPOSITES; MULTILAYERS AB A method is established and validated using molecular dynamics (MD) to determine the displacement threshold energies as E-d in nanolayered, multilayered systems of dissimilar metals. The method is applied to specifically oriented nanolayered films of Al-Ti where the crystal structure and interface orientations are varied in atomic models and E-d is calculated. Methods for defect detection are developed and discussed based on prior research in the literature and based on specific crystallographic directions available in the nanolayered systems. These are compared and contrasted to similar calculations in corresponding bulk materials, including fcc Al, fcc Ti, hcp Al, and hcp Ti. In all cases, the calculated E-d in the multilayers are intermediate to the corresponding bulk values but exhibit some important directionality. In the nanolayer, defect detection demonstrated systematic differences in the behavior of E-d in each layer. Importantly, collision cascade damage exhibits significant defect partitioning within the Al and Ti layers that is hypothesized to be an intrinsic property of dissimilar nanolayered systems. This type of partitioning could be partly responsible for observed asymmetric radiation damage responses in many multilayered systems. In addition, a pseudo-random direction was introduced to approximate the average Ed without performing numerous simulations with random directions. Published by Elsevier B.V. C1 [Gerboth, Matthew; Setyawan, Wahyu; Henager, Charles H., Jr.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Setyawan, W (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM wahyu.setyawan@pnnl.gov OI Henager, Chuck/0000-0002-8600-6803 FU Defense Threat Reduction Agency (DTRA) [BRCALL08-Per4-E-1-0062]; Department of Energy's Office of Biological and Environmental Research FX This research was supported by the award BRCALL08-Per4-E-1-0062 from Defense Threat Reduction Agency (DTRA). A portion of this research was performed using Olympus supercomputer at EMSL (#44724), 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 46 TC 0 Z9 0 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD APR 1 PY 2014 VL 85 BP 269 EP 279 DI 10.1016/j.commatsci.2014.01.008 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA AB3XR UT WOS:000331724000037 ER PT J AU Hu, XH Sun, X Golovashchenko, SF AF Hu, X. H. Sun, X. Golovashchenko, S. F. TI Predicting tensile stretchability of trimmed AA6111-T4 sheets SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Trimming; Stretchability; Finite element simulations; Aluminum alloys; Edge cracking; Material inhomogeneity ID ALUMINUM EXTRUSIONS; STRAIN LOCALIZATION; DUCTILE FRACTURE; HOLE EXPANSION; EDGE CRACKING; DUAL-PHASE; FAILURE; SIMULATION; BEHAVIOR; STEELS AB An integrated manufacturing process simulation framework has been developed to predict the trimmed edge tensile stretchability of AA6111-T4 sheets by incorporating the burr geometry, damage, and plastic strain from trimming simulations into subsequent tensile stretchability simulations. The influence of the trimming die clearances on the predicted tensile stretching ductility (stretchability) is studied and quantitatively compared with experimental measurements. Stretchability is found to decrease with increasing cutting clearances, and simulation results have successfully captured experimentally observed edge crack initiation and failure mode variations for different trimming clearances. Subsequent computational sensitivity studies reveal that while deburring of previously trimmed edges has little influence on tensile stretchability, removal of trimmed edge initial plastic strain may significantly enhance the subsequent trimmed edge stretchability. (C) 2014 Elsevier B.V. All rights reserved. C1 [Hu, X. H.; Sun, X.] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99354 USA. [Golovashchenko, S. F.] Ford Res & Adv Engn, Sci Res Lab, Mfg & Proc Dept, Dearborn, MI 48124 USA. RP Hu, XH (reprint author), Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99354 USA. EM Xiaohua.hu@pnnl.gov RI Hu, Xiaohua/J-6519-2012 OI Hu, Xiaohua/0000-0002-7735-5091 FU US Department of Energy (DOE) [DE-AC05-76RL01830]; DOE's Office of FreedomCAR and Vehicle Technologies under the Automotive Lightweighting Materials Program FX Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US Department of Energy (DOE) under Contract No. DE-AC05-76RL01830. This work was partially funded by the DOE's Office of FreedomCAR and Vehicle Technologies under the Automotive Lightweighting Materials Program managed by Mr. William Joost. NR 40 TC 3 Z9 3 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD APR 1 PY 2014 VL 85 BP 409 EP 419 DI 10.1016/j.commatsci.2014.01.015 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA AB3XR UT WOS:000331724000050 ER PT J AU Versino, D Mourad, HM Williams, TO AF Versino, Daniele Mourad, Hashem M. Williams, Todd O. TI A global-local discontinuous Galerkin shell finite element for small-deformation analysis of multi-layered composites SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Laminated composites; Structural dynamics; Global local shell theory; Discontinuous Galerkin methods; Finite element analysis ID ONE-POINT QUADRATURE; OPTIMAL SOLID SHELLS; PLATE THEORIES; THEORETICAL FRAMEWORK; REDUCED INTEGRATION; UNIFIED FORMULATION; CYLINDRICAL-SHELLS; STRAIN FORMULATION; INCOMPATIBLE MODES; NONLINEAR ANALYSES AB This paper focuses on the development of a global local doubly-curved shell element, suitable for small-deformation implicit and/or explicit dynamic analysis of laminated composite structures. The global local framework is based on the superposition of a global displacement field, spanning the thickness of the entire laminate, and local (layerwise) displacement fields associated with each layer of the laminate. This approach affords highly-resolved representations in regions of critical interest, and allows a smooth transition from higher to lower resolution zones. Continuity between adjacent layers is enforced by means of discontinuous Galerkin fluxes. Parasitic phenomena characteristic of bilinear shell elements, such as shear locking, are alleviated with the aid of assumed natural strain techniques. Performance characteristics of the proposed finite element are examined with the aid of several numerical examples involving static and dynamic analysis of thick as well as thin shells. (c) 2013 Elsevier B.V. All rights reserved. C1 [Versino, Daniele; Mourad, Hashem M.; Williams, Todd O.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Mourad, HM (reprint author), Los Alamos Natl Lab, Div Theoret, T-3,MS B216, Los Alamos, NM 87545 USA. EM hmourad@lanl.gov OI versino, daniele/0000-0002-5451-5355 NR 83 TC 1 Z9 1 U1 0 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PD APR 1 PY 2014 VL 271 BP 269 EP 295 DI 10.1016/j.cma.2013.12.007 PG 27 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA AC4MY UT WOS:000332496600014 ER PT J AU Robson, MH Artyushkova, K Patterson, W Atanassov, P Hibbs, MR AF Robson, Michael H. Artyushkova, Kateryna Patterson, Wendy Atanassov, Plamen Hibbs, Michael R. TI Non-platinum Carbon-Supported Oxygen Reduction Catalyst Ink Evaluation Based on Poly(sulfone) and Poly(phenylene)-Derived Ionomers in Alkaline Media SO ELECTROCATALYSIS LA English DT Article DE AFC; Cyanamide; Non-PGM electrocatalysts; Ionomers ID ANION-EXCHANGE MEMBRANES; FUEL-CELL CATHODE; TEMPERATURE-DEPENDENCE; TRANSPORT-PROPERTIES; ELECTRODE-KINETICS; METAL CATALYST; ELECTROCATALYSTS; METHANOL; MACROCYCLES; INTERFACE AB Described in this work is an electrochemical evaluation of novel alkaline ionomers employed as catalyst binder for non-platinum group metal electrocatalysts based on cyanamide precursor. Electrochemical evaluation of the non-platinum group metal (non-PGM) catalyst bound with the featured alkaline ionomer classes over a range of conditions gives insight into how they behave, as well as provide information on how the varying functionalities enhance or inhibit the rate of oxygen reduction. We are showing that the polymer backbone structure has a larger influence on facilitating favorable reaction kinetics than ionomer to catalysts ratio. The poly(sulfone)-derived ionomers result in a worse activity than electrocatalysts with NafionA (R) and poly(phenylene)-derived ionomers. They also exhibited more peroxide desorption and greater limitation in the mass transport regime. The poly(phenylene)-derived polymers performed in line with the benchmark ionomer, NafionA (R). The poly(phenylene)-derived ionomers show promise as fruitful line of research in establishing an anion-conducting ionomer for alkaline electrolyte fuel cells. C1 [Robson, Michael H.; Artyushkova, Kateryna; Patterson, Wendy; Atanassov, Plamen] Univ New Mexico, Univ New Mexico 1, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Hibbs, Michael R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Artyushkova, K (reprint author), Univ New Mexico, Univ New Mexico 1, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. EM kartyush@unm.edu RI Artyushkova, Kateryna/B-4709-2008; OI Artyushkova, Kateryna/0000-0002-2611-0422; Patterson, Wendy/0000-0002-8761-8457 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 41 TC 3 Z9 3 U1 4 U2 30 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1868-2529 EI 1868-5994 J9 ELECTROCATALYSIS-US JI Electrocatalysis PD APR PY 2014 VL 5 IS 2 BP 148 EP 158 DI 10.1007/s12678-013-0179-5 PG 11 WC Chemistry, Physical; Electrochemistry SC Chemistry; Electrochemistry GA AD1WN UT WOS:000333024500005 ER PT J AU Romankiewicz, J Marnay, C Zhou, N Qu, M AF Romankiewicz, John Marnay, Chris Zhou, Nan Qu, Min TI Lessons from international experience for China's microgrid demonstration program SO ENERGY POLICY LA English DT Article DE Microgrids; Distributed energy resources; Policy ID CHALLENGES; POWER AB Microgrids can provide an avenue for increasing the amount of distributed generation (DG) and delivery of electricity, where control is more dispersed and quality of service is locally tailored to end-use requirements, with applications from military bases to campuses to commercial office buildings. Many studies have been done to date on microgrid technology and operations, but fewer studies exist on demonstration programs and commercial microgrid development. As China prepares to launch the largest microgrid demonstration program in the world, we review progress made by demonstration programs across Europe, Asia, and the Americas as well as microgrid benefits and barriers. Through case studies, we highlight the difference in experience for microgrids developed under the auspices of a government-sponsored demonstration program versus those that were commercially developed. Lastly, we provide recommendations oriented towards creating a successful microgrid demonstration program. Published by Elsevier Ltd. C1 [Romankiewicz, John; Marnay, Chris; Zhou, Nan; Qu, Min] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Energy Anal & Environm Impacts Dept, Berkeley, CA 94720 USA. [Qu, Min] Xian Polytech Univ, Xian 710048, Shaanxi Provinc, Peoples R China. RP Romankiewicz, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Energy Anal & Environm Impacts Dept, 1 Cyclotron Rd,MS 90R2002, Berkeley, CA 94720 USA. EM jpromankiewicz@lbl.gov FU Energy Foundation's (EF) China Sustainable Energy Program (CSEP); CSEP of EF through the U.S. Department of Energy [DE-AC02-05CH11231] FX We would like to express our deep appreciation to Energy Foundation's (EF) China Sustainable Energy Program (CSEP) for providing funding for this project. We thank Wang Sicheng at the Energy Research Institute under the National Development and Reform Commission; Lv Fang, Yu Jinhui, Xu Honghua, Wang Yibo, and Zhang Jia from the Institute of Electrical Engineering within the Chinese Academy of Sciences; Wang Weisheng from the China Electric Power Research Institute under the State Grid Corporation; Professor Wang Chengshan from Tianjin University, and Lu Hong and Wang Man from EF for their comments and review. This work was supported by CSEP of EF through the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 29 TC 3 Z9 3 U1 2 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD APR PY 2014 VL 67 BP 198 EP 208 DI 10.1016/j.enpol.2013.11.059 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AC8WH UT WOS:000332815300020 ER PT J AU Darghouth, NR Barbose, G Wiser, RH AF Darghouth, Naim R. Barbose, Galen Wiser, Ryan H. TI Customer-economics of residential photovoltaic systems (Part 1): The impact of high renewable energy penetrations on electricity bill savings with net metering SO ENERGY POLICY LA English DT Article DE Photovoltaics; Net metering; Electricity rate design ID GENERATION; CALIFORNIA; PRICES AB Residential photovoltaic (PV) systems in the US are often compensated at the customer's underlying retail electricity rate through net metering. Given the uncertainty in future retail rates and the inherent links between rates and the customer-economics of behind-the-meter PV, there is growing interest in understanding how potential changes in rates may impact the value of bill savings from PV. In this article, we first use a production cost and capacity expansion model to project California hourly wholesale electricity market prices under two potential electricity market scenarios, including a reference and a 33% renewables scenario. Second, based on the wholesale electricity market prices generated by the model, we develop retail rates (i.e., flat, time-of-use, and real-time pricing) for each future scenario based on standard retail rate design principles. Finally, based on these retail rates, the bill savings from PV is estimated for 226 California residential customers under two types of net metering, for each scenario. We find that high renewable penetrations can drive substantial changes in residential retail rates and that these changes, together with variations in retail rate structures and PV compensation mechanisms, interact to place substantial uncertainty on the future value of bill savings from residential PV. Published by Elsevier Ltd. C1 [Darghouth, Naim R.; Barbose, Galen; Wiser, Ryan H.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Darghouth, NR (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 90R4000, Berkeley, CA 94720 USA. EM ndarghouth@lbl.gov FU Office of Energy Efficiency and Renewable Energy (Solar Energy Technologies Program); Office of Electricity Delivery and Energy Reliability (National Electricity Delivery Division) of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Office of Energy Efficiency and Renewable Energy (Solar Energy Technologies Program) and the Office of Electricity Delivery and Energy Reliability (National Electricity Delivery Division) of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 46 TC 16 Z9 16 U1 0 U2 27 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD APR PY 2014 VL 67 BP 290 EP 300 DI 10.1016/j.enpol.2013.12.042 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AC8WH UT WOS:000332815300029 ER PT J AU Barbose, GL Sanstad, AH Goldman, CA AF Barbose, Galen L. Sanstad, Alan H. Goldman, Charles A. TI Incorporating energy efficiency into electric power transmission planning: A western United States case study SO ENERGY POLICY LA English DT Article DE Electric power transmission planning; Energy efficiency; Policy AB Driven by system reliability goals and the need to integrate significantly increased renewable power generation, long-range, bulk-power transmission planning processes in the United States are undergoing major changes. At the same time, energy efficiency is an increasing share of the electricity resource mix in many regions, and has become a centerpiece of many utility resource plans and state policies as a means of meeting electricity demand, complementing supply-side sources, and reducing carbon dioxide emissions from the electric power system. The paper describes an innovative project in the western United States to explicitly incorporate end-use efficiency into load forecasts - projections of electricity consumption and demand - that are a critical input into transmission planning and transmission planning studies. Institutional and regulatory background and context are reviewed, along with a detailed discussion of data sources and analytical procedures used to integrate efficiency into load forecasts. The analysis is intended as a practical example to illustrate the kinds of technical and institutional issues that must be addressed in order to incorporate energy efficiency into regional transmission planning activities. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Barbose, Galen L.; Sanstad, Alan H.; Goldman, Charles A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Barbose, GL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mailstop 90-4000,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM glbarbose@lbl.gov; ahsanstad@lbl.gov; cagoldman@lbl.gov FU Office of Electricity Delivery and Energy Reliability of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by Office of Electricity Delivery and Energy Reliability of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. We would like to offer our thanks for the invaluable comments of three anonymous reviewers. NR 23 TC 0 Z9 0 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD APR PY 2014 VL 67 BP 319 EP 329 DI 10.1016/j.enpol.2013.12.051 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AC8WH UT WOS:000332815300031 ER PT J AU Nurre, SG Bent, R Pan, F Sharkey, TC AF Nurre, Sarah G. Bent, Russell Pan, Feng Sharkey, Thomas C. TI Managing operations of plug-in hybrid electric vehicle (PHEV) exchange stations for use with a smart grid SO ENERGY POLICY LA English DT Article DE Plug-in hybrid electric vehicle charging; Deterministic optimization model; Variability reduction ID DEMAND RESPONSE; INFRASTRUCTURE; IMPACTS; DESIGN; POWER AB We consider a deterministic integer programming model for determining the optimal operations of multiple plug-in hybrid electric vehicle (PHEV) battery exchange stations over time. The operations include the number of batteries to charge, discharge, and exchange at each point in time over a set time horizon. We allow discharging of batteries back to the power grid, through vehicle-to-grid technology. We incorporate the exchange station's dependence on the power network, transportation network, and other exchange stations. The charging and discharging at these exchange stations lead to a greater amount of variability which creates a less predictable and flat power generation curve. We introduce and test three policies to smooth the power generation curve by balancing its load. Further, tests are conducted evaluating these policies while factoring wind energy into the power generation curve. These computational tests use realistic data and analysis of the results suggest general operating procedures for exchange stations and evaluate the effectiveness of these power flattening policies. Published by Elsevier Ltd. C1 [Nurre, Sarah G.] Air Force Inst Technol, Dept Operat Sci, Wright Patterson AFB, OH USA. [Bent, Russell; Pan, Feng] Los Alamos Natl Lab, Def Syst & Anal Div, Los Alamos, NM USA. [Sharkey, Thomas C.] Rensselaer Polytech Inst, Dept Ind & Syst Engn, Troy, NY USA. RP Nurre, SG (reprint author), Air Force Inst Technol, Dept Operat Sci, Wright Patterson AFB, OH USA. EM Sarah.Nurre@gmail.com OI Bent, Russell/0000-0002-7300-151X FU Sandia National Laboratories; Rensselaer Polytechnic Institute Excellence in Engineering Research Fellowship FX This author was supported by a Sandia National Laboratories and Rensselaer Polytechnic Institute Excellence in Engineering Research Fellowship. NR 52 TC 9 Z9 9 U1 1 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD APR PY 2014 VL 67 BP 364 EP 377 DI 10.1016/j.enpol.2013.11.052 PG 14 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AC8WH UT WOS:000332815300035 ER PT J AU Sun, M Gao, CX Shen, B AF Sun, Mei Gao, Cuixia Shen, Bo TI Quantifying China's oil import risks and the impact on the national economy SO ENERGY POLICY LA English DT Article DE Oil import risks; Cost; Input-output analysis ID INPUT-OUTPUT-ANALYSIS AB With an increase in China's oil imports, China's oil supply will also continue to be effected by the socioeconomic stability of oil-exporting countries and the safety of oil transport routes. This paper introduces a systematic and quantitative method to evaluate the influence of China's oil import risks (OIR) on the national economy and industrial sectors from a perspective of apply chain process. For this analysis, China's OIR is quantified by integrating oil exporting country risk and the risks from oil transportation routes. Country risk is defined as the oil-exporting country's political risk caused by political changes or internal conflicts. Transport risk is defined as the risk of shipping routes affected by pirate attacks and geopolitics. Second, the relationship between China's OIR and oil import costs is analyzed using a multiple linear approach. Third, an input-output analysis method is used to research the effect of the cost of China's oil imports on the cost of investment within China's domestic sectors. This research finds that the corresponding impact on GDP is 3494.5 million dollars given an increasing by 10% of China's OIR. And the impact on domestic sectors differs from sector to sector. Finally, this paper puts forth recommendations to improve long-term oil supply security in China. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Sun, Mei; Gao, Cuixia] Jiangsu Univ, Ctr Energy Dev & Environm Protect, Zhenjiang 212013, Jiangsu, Peoples R China. [Shen, Bo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, China Energy Grp,Energy Anal & Environm Impact As, Berkeley, CA 94720 USA. RP Sun, M (reprint author), Jiangsu Univ, Ctr Energy Dev & Environm Protect, Zhenjiang 212013, Jiangsu, Peoples R China. EM sunm@ujs.edu.cn OI Gao, Cuixia/0000-0002-4345-2934 FU National Nature Science Foundation of China [71073072, 71273119]; National Social Science Foundation of China [12ZD062]; Major Program of Social Science Foundation of Jiangsu Education Office [2010-2-10] FX This research was supported by both the National Nature Science Foundation of China (No. 71073072 and No. 71273119), the National Social Science Foundation of China (No.12&ZD062) and Major Program of Social Science Foundation of Jiangsu Education Office (No. 2010-2-10). NR 18 TC 5 Z9 5 U1 2 U2 34 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD APR PY 2014 VL 67 BP 605 EP 611 DI 10.1016/j.enpol.2013.12.061 PG 7 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AC8WH UT WOS:000332815300058 ER PT J AU Yu, S Eom, J Evans, M Clarke, L AF Yu, Sha Eom, Jiyong Evans, Meredydd Clarke, Leon TI A long-term, integrated impact assessment of alternative building energy code scenarios in China SO ENERGY POLICY LA English DT Article DE Integrated assessment modeling; Building energy codes; China ID CLIMATE-CHANGE; EMISSIONS; DEMAND; CCSM3; MODEL AB China is the second largest building energy user in the world, ranking first and third in residential and commercial energy consumption. Beginning in the early 1980s, the Chinese government has developed a variety of building energy codes to improve building energy efficiency and reduce total energy demand. This paper studies the impact of building energy codes on energy use and CO2 emissions by using a detailed building energy model that represents four distinct climate zones each with three building types, nested in a long-term integrated assessment framework GCAM. An advanced building stock module, coupled with the building energy model, is developed to reflect the characteristics of future building stock and its interaction with the development of building energy codes in China. This paper also evaluates the impacts of building codes on building energy demand in the presence of economy-wide carbon policy. We find that building energy codes would reduce Chinese building energy use by 13-22% depending on building code scenarios, with a similar effect preserved even under the carbon policy. The impact of building energy codes shows regional and sectoral variation due to regionally differentiated responses of heating and cooling services to shell efficiency improvement. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Yu, Sha; Evans, Meredydd; Clarke, Leon] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Eom, Jiyong] Korea Adv Inst Sci & Technol, Sch Business, Grad Sch Green Growth, Seoul, South Korea. RP Yu, S (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. EM sha.yu@pnnl.gov RI Eom, Jiyong/A-1161-2014 FU Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy; Global Technology Strategy Program; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX The authors are grateful for research support provided by the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy and the Global Technology Strategy Program. The authors acknowledge long-term support for GCAM development from the Integrated Assessment Research Program in the Office of Science of the U.S. Department of Energy. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. The views and opinions expressed in this paper are those of the authors alone. NR 57 TC 8 Z9 8 U1 1 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD APR PY 2014 VL 67 BP 626 EP 639 DI 10.1016/j.enpol.2013.11.009 PG 14 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AC8WH UT WOS:000332815300061 ER PT J AU Lu, JHC Song, IH Quadros, WR Shimada, K AF Lu, Jean Hsiang-Chun Song, Inho Quadros, William Roshan Shimada, Kenji TI Geometric reasoning in sketch-based volumetric decomposition framework for hexahedral meshing SO ENGINEERING WITH COMPUTERS LA English DT Article DE 3D medial object; Geometric reasoning; Hexahedral meshing; Sketch-based decomposition ID MEDIAL SURFACE SUBDIVISION; ELEMENT MESHES; GENERATION; REDUCTION; INTERFACE; ALGORITHM; SOLIDS; EDGES AB This paper presents a sketch-based volumetric decomposition framework using geometric reasoning to assist in hex meshing. The sketch-based user interface makes the framework user-friendly and intuitive, and the geometric reasoning engine makes the framework smarter and improves the usability. The system first generates a database that contains both the B-rep and 3D medial object to capture the exterior and interior of the input model, respectively. Next, the geometric reasoning process determines sweeping direction and two types of sweepable regions and provides visual aids to assist the user in developing decomposition solutions. The user conducts decomposition via the sketch-based user interface, which understands the user's intent through freehand stroke inputs for smart decomposition. Imprint and merge operations are then performed on the decomposed model before passing it to the sweeping algorithm to create hex meshes. The proposed framework has been tested on industrial models. C1 [Lu, Jean Hsiang-Chun; Song, Inho; Shimada, Kenji] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Quadros, William Roshan] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lu, JHC (reprint author), Carnegie Mellon Univ, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM hsiangcl@andrew.cmu.edu; songphd@andrew.cmu.edu; wrquadr@sandia.gov; shimada@andrew.cmu.edu OI Song, Inho/0000-0002-4108-7179 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 35 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0177-0667 EI 1435-5663 J9 ENG COMPUT-GERMANY JI Eng. Comput. PD APR PY 2014 VL 30 IS 2 SI SI BP 237 EP 252 DI 10.1007/s00366-013-0332-z PG 16 WC Computer Science, Interdisciplinary Applications; Engineering, Mechanical SC Computer Science; Engineering GA AD1SI UT WOS:000333013500007 ER PT J AU Fang, ZF Hou, ZS Lin, G Engel, D Fang, YL Eslinger, P AF Fang, Zhufeng Hou, Zhangshuan Lin, Guang Engel, Dave Fang, Yilin Eslinger, Paul TI Exploring the effects of data quality, data worth, and redundancy of CO2 gas pressure and saturation data on reservoir characterization through PEST inversion SO ENVIRONMENTAL EARTH SCIENCES LA English DT Article DE Carbon sequestration; Inversion; Monitoring network; Reservoir characterization ID MONITORING NETWORK DESIGN; MARINE SEISMIC AVA; CSEM DATA; FLUID-FLOW; SEQUESTRATION; INJECTION; LEAKAGE; MODEL AB This study examined the impacts of reservoir properties on carbon dioxide (CO2) migration after subsurface injection and evaluated the possibility of characterizing reservoir properties using CO2 monitoring data such as spatial-temporal distributions of gas pressure, which can be reasonably monitored in practice. The injection reservoir was assumed to be located 1,400-1,500 m below the ground surface such that CO2 remained in the supercritical state. The reservoir was assumed to contain layers with alternating conductive and resistive properties, which is analogous to actual geological formations such as the Mount Simon Sandstone unit. The CO2 injection simulation used a cylindrical grid setting in which the injection well was situated at the center of the domain, which extended out 8,000 m from the injection well. The CO2 migration was simulated using the latest version of the simulator, subsurface transport over multiple phases (the water-salt-CO2-energy module), developed by Pacific Northwest National Laboratory. A nonlinear parameter estimation and optimization modeling software package, Parameter ESTimation (PEST), is adopted for automated reservoir parameter estimation. The effects of data quality, data worth, and data redundancy were explored regarding the detectability of reservoir parameters using gas pressure monitoring data, by comparing PEST inversion results using data with different levels of noises, various numbers of monitoring wells and locations, and different data collection spacing and temporal sampling intervals. This study yielded insight into the use of CO2 monitoring data for reservoir characterization and how to design the monitoring system to optimize data worth and reduce data redundancy. The feasibility of using CO2 saturation data for improving reservoir characterization was also discussed. C1 [Fang, Zhufeng; Hou, Zhangshuan; Fang, Yilin; Eslinger, Paul] Pacific NW Natl Lab, Earth Syst Sci Div, Richland, WA 99352 USA. [Lin, Guang; Engel, Dave] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA. RP Hou, ZS (reprint author), Pacific NW Natl Lab, Earth Syst Sci Div, POB 999, Richland, WA 99352 USA. EM zhangshuan.hou@pnnl.gov RI Hou, Zhangshuan/B-1546-2014; Fang, Yilin/J-5137-2015; OI Hou, Zhangshuan/0000-0002-9388-6060; Fang, Zhufeng/0000-0002-7085-8016 FU US Department of Energy (DOE) Office of Science; Pacific Northwest National Laboratory (PNNL) Laboratory Directed Research and Development project; DOE [DE-AC05-76RL01830] FX This work was supported by the US Department of Energy (DOE) Office of Science and the Pacific Northwest National Laboratory (PNNL) Laboratory Directed Research and Development project, "Uncertainty Quantification and Risk Assessment Pipeline''. PNNL is operated by Battelle for DOE under Contract DE-AC05-76RL01830. NR 24 TC 1 Z9 1 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1866-6280 EI 1866-6299 J9 ENVIRON EARTH SCI JI Environ. Earth Sci. PD APR PY 2014 VL 71 IS 7 BP 3025 EP 3037 DI 10.1007/s12665-013-2680-9 PG 13 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA AD1SS UT WOS:000333014500005 ER PT J AU Quinn, NWT Epshtein, O AF Quinn, Nigel W. T. Epshtein, Olga TI Seasonally-managed wetland footprint delineation using Landsat ETM plus satellite imagery SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE Remote sensing; Environmental decision support; Water resource management; Wetlands; Ecohydrology; Basin hydrology ID DIFFERENCE WATER INDEX; ENERGY BALANCE ALGORITHM; VEGETATION DYNAMICS; TM IMAGERY; NDVI; EVAPOTRANSPIRATION; CLASSIFICATION; RESPONSES; SENSITIVITY; RAINFALL AB One major challenge in water resource management is the estimation of evapotranspiration losses from seasonally managed wetlands. Quantifying these losses is complicated by the dynamic nature of the wetlands' areal footprint during the periods of flood-up and drawdown. We present a data-lean solution to this problem using an example application in the San Joaquin Basin, California. Through analysis of high-resolution Landsat Enhanced Thematic Mapper Plus (ETM+) satellite imagery, we develop a metric to better capture the extent of total flooded wetland area. The procedure is validated using year-long, continuously-logged field datasets for two wetlands within the study area. The proposed classification which uses a Landsat ETM + Band 5 (mid-IR wavelength) to Band 2 (visible green wavelength) ratio improves estimates by 30-50% relative to previous wetland delineation studies. Requiring modest ancillary data, the study results provide a practical and efficient option for wetland management in data-sparse regions or un-gauged watersheds. (c) 2013 Elsevier Ltd. All rights reserved. C1 [Quinn, Nigel W. T.; Epshtein, Olga] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Epshtein, Olga] Arizona State Univ, Sch Sustainable Engn & Built Environm, Tempe, AZ 85287 USA. RP Quinn, NWT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,Bld 14-132, Berkeley, CA 94720 USA. EM nwquinn@lbl.gov RI Quinn, Nigel/G-2407-2015 OI Quinn, Nigel/0000-0003-3333-4763 FU U.S. Department of Energy; Center for Science and Engineering Education; US Bureau of Reclamation's Science and Technology Program and the Resource Management Division [MP-400] FX This work was supported by the U.S. Department of Energy, Center for Science and Engineering Education and the US Bureau of Reclamation's Science and Technology Program and the Resource Management Division (MP-400). Our gratitude is extended to Chuck Johnson for his continued support of our wetland ET research program and to Linda Colella, MP-400 for maintaining the wetland sensor research program initiated by the late Mike Heaton. Thanks to Ric Ortega, General Manager, Grassland Water District for his technical support and provision of south Grassland Water District wetland monitoring data. Thanks also to Professor Luis Garcia, Director of the Integrated Decision Support Group at Colorado State University and Dr. Aymn Elhaddad for provision of the ReSET model and for user support. We also wish to acknowledge Dr. Richard Snyder and Professor Susan Ustin (Department of Land, Air and Water Resources, University of California, Davis), for valuable input. NR 76 TC 3 Z9 3 U1 2 U2 36 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1364-8152 EI 1873-6726 J9 ENVIRON MODELL SOFTW JI Environ. Modell. Softw. PD APR PY 2014 VL 54 BP 9 EP 23 DI 10.1016/j.envsoft.2013.12.012 PG 15 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA AC1PA UT WOS:000332267300002 ER PT J AU Shyam, A Blau, P Jordan, T Yang, N AF Shyam, A. Blau, P. Jordan, T. Yang, N. TI Effect of submillimeter size holes on the fatigue limit of a high strength tool steel SO FATIGUE & FRACTURE OF ENGINEERING MATERIALS & STRUCTURES LA English DT Article DE very high cycle fatigue; steel; fatigue at notches; fatigue limit; small crack growth ID CRACK-GROWTH; CAST-ALUMINUM; MATERIAL DEFECTS; PROPAGATION; MODEL; MECHANISMS; INITIATION; BLOCKING; FAILURE; REGIME AB The very high cycle fatigue and small fatigue crack growth behaviour of a generic tool steel material for diesel fuel injector application are described. The small crack growth tests for the tool steel material with and without the hardening heat treatment revealed the mechanisms of crack propagation and threshold behaviour. Based on the small fatigue crack propagation threshold value, an elastic plastic fracture mechanics methodology for the prediction of the endurance limit of specimens with submillimeter holes is proposed. The advantages of the new methodology are discussed in relation to existing methodologies for endurance limit prediction of specimens with small holes. C1 [Shyam, A.; Blau, P.; Jordan, T.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Yang, N.] Caterpillar Inc, Peoria, IL 61629 USA. RP Shyam, A (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM shyama@ornl.gov OI Shyam, Amit/0000-0002-6722-4709 FU U.S. Department of Energy; Office of Energy Efficiency and Renewable Energy; Office of Vehicle Technologies, as part of the Propulsion Materials Program FX This effort was supported in part by the U.S. Department of Energy, the Office of Energy Efficiency and Renewable Energy and the Office of Vehicle Technologies, as part of the Propulsion Materials Program. We thank Fei Ren and Don Erdman (ORNL) for reviewing the manuscript. NR 34 TC 3 Z9 3 U1 0 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 8756-758X EI 1460-2695 J9 FATIGUE FRACT ENG M JI Fatigue Fract. Eng. Mater. Struct. PD APR PY 2014 VL 37 IS 4 BP 368 EP 379 DI 10.1111/ffe.12119 PG 12 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA AD1VO UT WOS:000333022000003 ER PT J AU Blumenthal, DJ Sugarman, SL Christensen, DM Wiley, AL Livingston, GK Glassman, ES Koerner, JF Sullivan, JM Hinds, S AF Blumenthal, Daniel J. Sugarman, Stephen L. Christensen, Doran M. Wiley, Albert L. Livingston, Gordon K. Glassman, Erik S. Koerner, John F. Sullivan, Julie M. Hinds, Sidney TI ROLE OF DICENTRIC ANALYSIS IN AN OVERARCHING BIODOSIMETRY STRATEGY FOR USE FOLLOWING A NUCLEAR DETONATION IN AN URBAN ENVIRONMENT SO HEALTH PHYSICS LA English DT Article DE biodosimetry; cytogenetics; emergencies; radiological; radiation dose ID ACUTE-RADIATION-SYNDROME; CHROMOSOME ASSAY; MASS CASUALTIES; DOSIMETRY; EVENTS; TRIAGE AB In the moments immediately following a nuclear detonation, casualties with a variety of injuries including trauma, burns, radiation exposure, and combined injuries would require immediate assistance. Accurate and timely radiation dose assessments, based on patient history and laboratory testing, are absolutely critical to support adequately the triage and treatment of those affected. This capability is also essential for ensuring the proper allocation of scarce resources and will support longitudinal evaluation of radiation-exposed individuals and populations. To maximize saving lives, casualties must be systematically triaged to determine what medical interventions are needed, the nature of those interventions, and who requires intervention immediately. In the National Strategy for Improving the Response and Recovery for an Improvised Nuclear Device (IND) Attack, the U.S. Department of Homeland Security recognized laboratory capacity for radiation biodosimetry as having a significant gap for performing mass radiation dose assessment. The anticipated demand for radiation biodosimetry exceeds its supply, and this gap is partly linked to the limited number and analytical complexity of laboratory methods for determining radiation doses within patients. The dicentric assay is a key component of a cytogenetic biodosimetry response asset, as it has the necessary sensitivity and specificity for assessing medically significant radiation doses. To address these shortfalls, the authors have developed a multimodal strategy to expand dicentric assay capacity. This strategy includes the development of an internet-based cytogenetics network that would address immediately the labor intensive burden of the dicentric chromosome assay by increasing the number of skilled personnel to conduct the analysis. An additional option that will require more time includes improving surge capabilities by combining resources available within the country's 150 clinical cytogenetics laboratories. Key to this intermediate term effort is the fact that geneticists and technicians may be experts in matters related to identifying chromosomal abnormalities related to genetic disorders, but they are not familiar with dosimetry for which training and retraining will be required. Finally, long-term options are presented to improve capacity focus on ways to automate parts of the dicentric chromosome assay method. C1 [Blumenthal, Daniel J.] US DOE, Washington, DC 20585 USA. [Sugarman, Stephen L.; Christensen, Doran M.; Wiley, Albert L.; Livingston, Gordon K.] Radiat Emergency Assistance Ctr, Oak Ridge, TN 37831 USA. [Glassman, Erik S.] Oak Ridge Associated Univ, Arlington, VA 22203 USA. [Koerner, John F.; Sullivan, Julie M.] US Dept HHS, Washington, DC 20201 USA. [Hinds, Sidney] Armed Forces Radiobiol Res Inst, Bethesda, MD 20889 USA. RP Livingston, GK (reprint author), Radiat Emergency Assistance Ctr, Training Site,POB 117,MS-39, Oak Ridge, TN 37831 USA. EM Gordon.Livingston@orau.org FU United States Government under U.S. Department of Energy (DOE) [DE-AC05-06OR23100] FX Part of this document was prepared as an account of work sponsored by the United States Government funded under U.S. Department of Energy (DOE) contract number DE-AC05-06OR23100 between the DOE and Oak Ridge Associated Universities (ORAU), which operates the Oak Ridge Institute for Science and Education (ORISE) for the DOE. Neither the United States Government nor the DOE, nor any of their employees, makes any warranty, expressed 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 on privately owned rights. 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 15 TC 5 Z9 5 U1 0 U2 2 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 APR PY 2014 VL 106 IS 4 BP 516 EP 522 DI 10.1097/HP.0b013e3182a5f94f PG 7 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 AC2JX UT WOS:000332328000008 PM 24562072 ER PT J AU Qin, YF Ji, J Du, GZ Wu, W Dai, JC Hu, ZB Sha, JH Hang, B Lu, CC Xia, YK Wang, XR AF Qin, Yufeng Ji, Juan Du, Guizhen Wu, Wei Dai, Juncheng Hu, Zhibin Sha, Jiahao Hang, Bo Lu, Chuncheng Xia, Yankai Wang, Xinru TI Comprehensive pathway-based analysis identifies associations of BCL2, GNAO1 and CHD2 with non-obstructive azoospermia risk SO HUMAN REPRODUCTION LA English DT Article DE non-obstructive azoospermia; pathway-based analysis; SNP; male infertility ID GENOME-WIDE ASSOCIATION; CONGENITAL DIAPHRAGMATIC-HERNIA; GERM-CELL APOPTOSIS; MALE-INFERTILITY; HYPOGONADOTROPIC HYPOGONADISM; CHINESE POPULATION; KALLMANN-SYNDROME; GENETIC-VARIANTS; MEN; SUSCEPTIBILITY AB Do genetic variants in known canonical pathways that have been widely suggested to affect spermatogenesis confer susceptibility to non-obstructive azoospermia (NOA)? Rs1406714 in CHD2, rs2126986 in GNAO1 and rs7226979 in BCL2 were associated with NOA in Han Chinese men at a significant level after multiple testing corrections. Previous genome-wide association studies (GWASs) have identified three loci for NOA, whereas less attention has been given to those markers that did not exceed the genome-wide significance threshold. We conducted a two-stage association study containing 1653 NOA cases and 2329 controls to investigate the susceptibility markers for NOA. Imputation and pathway-based approaches can be applied to identify additional causal makers with small effects on NOA. We performed a candidate pathway-based association study using imputed-genotyping data for 24 238 single nucleotide polymorphisms estimated from NOA GWAS. Remarkably, 40 markers were associated with NOA in both imputation analysis and NOA GWAS (Stage 1) after linkage disequilibrium analysis and selected for validation (Stage 2) in another population. Based on the literature, genes from 11 biological pathways known or hypothesized to be important in spermatogenesis were selected. Combined analysis using directly genotyped data for Stages 1 and 2 revealed that rs1406714 in CHD2 was associated with decreased risk of NOA [odds ratio (OR) 0.78, 95 confidence interval (CI) 0.680.89, P-meta 1.7E04], whereas rs2126986 in GNAO1 and rs7226979 in BCL2 were both risk makers for NOA (rs2126986: OR 1.28, 95 CI 1.151.41, P-meta 2.3E06; rs7226979: OR 1.21, 95 CI 1.111.33, P-meta 4.5E05). Our analysis of genes in the pathways studied was not exhaustive. Our study opens new avenues for the identification of other novel causal markers that are related to NOA. It will also provide a new paradigm for understanding the etiology of male infertility and contribute to the development of targeted therapies. This study was supported in part by National Basic Research Program of China (973 Program, 2011CB944304); National Science Fund for Outstanding Young Scholars (81322039); National Natural Science Foundation (31371524); Distinguished Young Scholars of Jiangsu Province (BK20130041); The Program for Postgraduates Research Innovation in University of Jiangsu Province (CXZZ12-0600). Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD). There were no competing interests. C1 [Qin, Yufeng; Ji, Juan; Du, Guizhen; Wu, Wei; Dai, Juncheng; Hu, Zhibin; Sha, Jiahao; Lu, Chuncheng; Xia, Yankai; Wang, Xinru] Nanjing Med Univ, Inst Toxicol, State Key Lab Reprod Med, Nanjing 211166, Jiangsu, Peoples R China. [Qin, Yufeng; Ji, Juan; Du, Guizhen; Wu, Wei; Hu, Zhibin; Lu, Chuncheng; Xia, Yankai; Wang, Xinru] Nanjing Med Univ, Sch Publ Hlth, Key Lab Modern Toxicol, Minist Educ, Nanjing 211166, Jiangsu, Peoples R China. [Hang, Bo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Lu, CC (reprint author), Nanjing Med Univ, Inst Toxicol, State Key Lab Reprod Med, 818 East Tianyuan Rd, Nanjing 211166, Jiangsu, Peoples R China. EM chunchenglu@njmu.edu.cn FU National Basic Research Program of China (973 Program) [2011CB944304]; National Science Fund for Outstanding Young Scholars [81322039]; National Natural Science Foundation [31371524]; Distinguished Young Scholars of Jiangsu Province [BK20130041]; Program for Postgraduates Research Innovation in University of Jiangsu Province [CXZZ12-0600]; Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD) FX This study was supported in part by National Basic Research Program of China (973 Program, 2011CB944304); National Science Fund for Outstanding Young Scholars (81322039); National Natural Science Foundation (31371524); Distinguished Young Scholars of Jiangsu Province (BK20130041); The Program for Postgraduates Research Innovation in University of Jiangsu Province (CXZZ12-0600). Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD). NR 32 TC 6 Z9 6 U1 1 U2 16 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0268-1161 EI 1460-2350 J9 HUM REPROD JI Hum. Reprod. PD APR PY 2014 VL 29 IS 4 BP 860 EP 866 DI 10.1093/humrep/deu013 PG 7 WC Obstetrics & Gynecology; Reproductive Biology SC Obstetrics & Gynecology; Reproductive Biology GA AD2GC UT WOS:000333051200024 PM 24549219 ER PT J AU Crawford, BA Maerz, JC Nibbelink, NP Buhlmann, KA Norton, TM AF Crawford, Brian A. Maerz, John C. Nibbelink, Nathan P. Buhlmann, Kurt A. Norton, Terry M. TI Estimating the consequences of multiple threats and management strategies for semi- aquatic turtles SO JOURNAL OF APPLIED ECOLOGY LA English DT Article DE diamondback terrapin; Malaclemys terrapin; matrix model; nest predation; population growth rate; road mortality; roads ID WILDLIFE-VEHICLE COLLISIONS; DIAMONDBACK TERRAPIN; MALACLEMYS-TERRAPIN; ROAD-MORTALITY; POPULATION-GROWTH; SEX DETERMINATION; CRAB POTS; CONSERVATION; HERPETOFAUNA; FLORIDA AB 1. Roads are pervasive fixtures on most landscapes but are typically among many factors contributing to wildlife population declines. Addressing road mortality as part of larger conservation efforts is challenging because it can be difficult to measure per capita mortality from roads and other concurrent threats. 2. We used 4 years of mark-recapture-recovery data for diamondback terrapins Malaclemys terrapin on a causeway in Georgia, USA, to directly estimate threats of adult road mortality and nest predation, contrast the consequences to population growth using stage-based matrix models and make management recommendations to stabilize the population. 3. Mean estimated annual adult road mortality was 11.1% (range = 4.4-16.4%). Estimated annual nest predation was 61.9%. We estimated that the population was declining (lambda < 0.98) in all scenarios where both threats were included. Variation in adult survival was the most influential (highest elasticity) contributor to population growth relative to other demographic rates; however, lambda would remain below 1 with any nest predation rate exceeding our estimate even if actions to mitigate road mortality were 100% effective. 4. Synthesis and applications. Our study provides some of the first direct estimates of vehicle mortality rates and shows that mortality can remain sufficiently high among years to cause population declines. We also demonstrate that management actions focused on singular threats are inadequate for recovering populations. We conclude that integrated road and predator management is necessary to conserve turtle populations, and we suggest alternative strategies to compensate for some vehicle mortality and nest depredation. C1 [Crawford, Brian A.; Maerz, John C.; Nibbelink, Nathan P.] Univ Georgia, Warnell Sch Forestry & Nat Resources, Athens, GA 30602 USA. [Buhlmann, Kurt A.] Univ Georgia, Odum Sch Ecol, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Norton, Terry M.] Jekyll Isl Author, Georgia Sea Turtle Ctr, Jekyll Isl, GA 31527 USA. RP Crawford, BA (reprint author), Univ Georgia, Warnell Sch Forestry & Nat Resources, Athens, GA 30602 USA. EM bcrawfor@uga.edu FU Georgia Department of Natural Resources, Coastal Resources Division; Daniel B. Warnell School of Forestry and Natural Resources, University of Georgia; Jekyll Island Foundation FX Funding to support this research was provided by a State Wildlife Grant to J.C.M. from the Georgia Department of Natural Resources, Coastal Resources Division, by the Daniel B. Warnell School of Forestry and Natural Resources, University of Georgia and Jekyll Island Foundation through an assistantship to B.A.C. We thank GSTC staff and volunteers for their assistance throughout the project - especially M. Kaylor, A. Grosse, S. Diltz, L. Rodriguez and D. Quinn. We thank associates at the Savannah River Ecology Laboratory and the Jekyll Island Authority for their continued collaborations. All methods were conducted in accordance with the recommendations for humane treatment of these animals for research and have been approved by the University of Georgia Institution Animal Care and Use Committee (Animal Use Protocol no.: A2009 10-189, expires 24 November 2012). NR 50 TC 9 Z9 9 U1 5 U2 57 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8901 EI 1365-2664 J9 J APPL ECOL JI J. Appl. Ecol. PD APR PY 2014 VL 51 IS 2 BP 359 EP 366 DI 10.1111/1365-2664.12194 PG 8 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA AC9DX UT WOS:000332835600009 ER PT J AU Crawford, BA Maerz, JC Nibbelink, NP Buhlmann, KA Norton, TM Albeke, SE AF Crawford, Brian A. Maerz, John C. Nibbelink, Nathan P. Buhlmann, Kurt A. Norton, Terry M. Albeke, Shannon E. TI Hot spots and hot moments of diamondback terrapin road- crossing activity SO JOURNAL OF APPLIED ECOLOGY LA English DT Article DE diamondback terrapin; Georgia; hot moment; hot spot; Malaclemys terrapin; road mortality; roads; turtle ID MALACLEMYS-TERRAPIN; TURTLE POPULATIONS; MORTALITY; ECOLOGY; RISK; CONSERVATION; HERPETOFAUNA; MANAGEMENT; SELECTION; WILDLIFE AB 1. Road mortality is a major component of human impacts on wildlife populations, and the pervasiveness of roads on the landscape presents a substantial challenge for managing those impacts. The feasibility of methods to reduce road mortality depends on the degree to which this threat is spatially or temporally concentrated, which can be based on habitat, human activities or species' ecology. Diamondback terrapins Malaclemys terrapin are a species of conservation concern across their range, and road mortality is a major threat contributing to local population declines. 2. We used intensive road surveys of the 8.7-km Downing-Musgrove Causeway to Jekyll Island, Georgia, USA, over 2 years to determine whether road activity and mortality was diffused or concentrated spatially (hot spots) or temporally (hot moments) in order to guide efficient management. 3. In 2009 and 2010, we documented 636 terrapin crossings that were temporally and spatially condensed. Temporally, there was a 70-80% chance of a terrapin occurring on the road within a 3-h period around the diurnal high tide and within the first 30 days of the 75 day nesting season. Over the two nesting seasons, 52% of terrapin occurrences on the road occurred within the 3-h period around high tide. Spatially, 30% of terrapins were observed crossing in three hot spots that composed less than 10% of the length of the entire causeway, and the percentage of unvegetated high marsh was negatively associated with the number of terrapins that occurred on a section of road. 4. Synthesis and applications. Our results demonstrate that hot spots and hot moments can be identified for species at finer scales than those found by other studies and are related, strongly or weakly, to specific temporal processes or habitat features. We found patterns of road mortality, like most threats, can be diffused or concentrated; therefore, complementary management tools that focus on hot spots or moments and also address the more diffused component of road mortality will be required to reduce this threat for at-risk wildlife. C1 [Crawford, Brian A.; Maerz, John C.; Nibbelink, Nathan P.] Univ Georgia, Warnell Sch Forestry & Nat Resources, Athens, GA 30602 USA. [Buhlmann, Kurt A.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Norton, Terry M.] Jekyll Isl Author, Georgia Sea Turtle Ctr, Jekyll Isl, GA 31527 USA. [Albeke, Shannon E.] Univ Wyoming, Wyoming Geog Informat Sci Ctr, Laramie, WY 82071 USA. RP Crawford, BA (reprint author), Univ Georgia, Warnell Sch Forestry & Nat Resources, Athens, GA 30602 USA. EM bcrawfor@uga.edu FU Georgia Department of Natural Resources, Coastal Resources Division; Daniel B. Warnell School of Forestry and Natural Resources, University of Georgia; Jekyll Island Foundation FX Funding for this research was provided by a State Wildlife Grant to J.C.M. from the Georgia Department of Natural Resources, Coastal Resources Division, by the Daniel B. Warnell School of Forestry and Natural Resources, University of Georgia and Jekyll Island Foundation through an assistantship to B.A.C. We thank GSTC staff and volunteers for their assistance throughout the project - especially M. Kaylor, A. Grosse, S. Diltz, L. Rodriguez and D. Quinn. We thank associates at the Savannah River Ecology Laboratory and the Jekyll Island Authority for their continued collaborations. All methods were conducted in accordance with the recommendations for humane treatment of these animals for research and have been approved by the University of Georgia Institution Animal Care and Use Committee (Animal Use Protocol #: A2009 10-189, expires 24 November 2012). NR 39 TC 11 Z9 11 U1 2 U2 27 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8901 EI 1365-2664 J9 J APPL ECOL JI J. Appl. Ecol. PD APR PY 2014 VL 51 IS 2 BP 367 EP 375 DI 10.1111/1365-2664.12195 PG 9 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA AC9DX UT WOS:000332835600010 ER PT J AU Nagendra, K Tafti, DK AF Nagendra, Krishnamurthy Tafti, Danesh K. TI Flows Through Reconstructed Porous Media Using Immersed Boundary Methods SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE immersed boundary method; porous flow; Darcy-Forchheimer equation; pressure drop; stochastic reconstruction ID CIRCULAR-CYLINDER; STOCHASTIC RECONSTRUCTION; FORCED-CONVECTION; RANDOM ARRAYS; STOKES-FLOW; SIMULATIONS; INERTIA; COMPLEX; SPHERES; HEART AB Understanding flow through real porous media is of considerable importance given their significance in a wide range of applications. Direct numerical simulations of such flows are very useful in their fundamental understanding. Past works have focused mainly on ordered and disordered arrays of regular shaped structures such as cylinders or spheres to emulate porous media. More recently, extension of these studies to more realistic pore spaces are available in the literature highlighting the enormous potential of such studies in helping the fundamental understanding of pore-level flow physics. In an effort to advance the simulation of realistic porous media flows further, an immersed boundary method (IBM) framework capable of simulating flows through arbitrary surface contours is used in conjunction with a stochastic reconstruction procedure based on simulated annealing. The developed framework is tested in a two-dimensional channel with two types of porous sections-one created using a random assembly of square blocks and another using the stochastic reconstruction procedure. Numerous simulations are performed to demonstrate the capability of the developed framework. The computed pressure drops across the porous section are compared with predictions from the Darcy-Forchheimer equation for media composed of different structure sizes. Finally, the developed methodology is applied to study CO2 diffusion in porous spherical particles of varying porosities. C1 [Nagendra, Krishnamurthy; Tafti, Danesh K.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Nagendra, Krishnamurthy; Tafti, Danesh K.] Virginia Tech, Blacksburg, VA 24061 USA. RP Tafti, DK (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM dtafti@vt.edu RI Tafti, Danesh/A-7486-2009; OI Krishnamurthy, Nagendra/0000-0002-8047-282X NR 39 TC 1 Z9 1 U1 1 U2 21 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD APR PY 2014 VL 136 IS 4 AR 040908 DI 10.1115/1.4026102 PG 9 WC Engineering, Mechanical SC Engineering GA AD2XW UT WOS:000333101200009 ER PT J AU Wei, ZA Zheng, ZC Yang, XF AF Wei, Zhenglun Alan Zheng, Zhongquan Charlie Yang, Xiaofan TI Computation of Flow Through a Three-Dimensional Periodic Array of Porous Structures by a Parallel Immersed-Boundary Method SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE porous media; IB method; parallel computing; PETSc; species transport ID LARGE-EDDY SIMULATION; WIND NOISE-REDUCTION; FLUID-FLOW; TURBULENT-FLOW; HEAT-TRANSFER; MEDIA; CYLINDER; TRANSPORT; EQUATION; ABSORPTION AB A parallel implementation of an immersed-boundary (IB) method is presented for low Reynolds number flow simulations in a representative elementary volume (REV) of porous media that are composed of a periodic array of regularly arranged structures. The material of the structure in the REV can be solid (impermeable) or microporous (permeable). Flows both outside and inside the microporous media are computed simultaneously by using an IB method to solve a combination of the Navier-Stokes equation (outside the microporous medium) and the Zwikker-Kosten equation (inside the microporous medium). The numerical simulation is firstly validated using flow through the REVs of impermeable structures, including square rods, circular rods, cubes, and spheres. The resultant pressure gradient over the REVs is compared with analytical solutions of the Ergun equation or Darcy-Forchheimer law. The good agreements demonstrate the validity of the numerical method to simulate the macroscopic flow behavior in porous media. In addition, with the assistance of a scientific parallel computational library, PETSc, good parallel performances are achieved. Finally, the IB method is extended to simulate species transport by coupling with the REV flow simulation. The species sorption behaviors in an REV with impermeable/solid and permeable/microporous materials are then studied. C1 [Wei, Zhenglun Alan; Zheng, Zhongquan Charlie] Univ Kansas, Dept Aerosp Engn, Lawrence, KS 66045 USA. [Yang, Xiaofan] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wei, ZA (reprint author), Univ Kansas, Dept Aerosp Engn, Lawrence, KS 66045 USA. EM alanwei@ku.edu; zzheng@ku.edu; Xiaofan.Yang@pnnl.gov RI Yang, Xiaofan/L-6472-2015 OI Yang, Xiaofan/0000-0003-4514-0229 NR 56 TC 1 Z9 1 U1 3 U2 16 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD APR PY 2014 VL 136 IS 4 AR 040905 DI 10.1115/1.4026357 PG 10 WC Engineering, Mechanical SC Engineering GA AD2XW UT WOS:000333101200006 ER PT J AU Edwards, MC Williams, T Pattathil, S Hahn, MG Doran-Peterson, J AF Edwards, M. C. Williams, T. Pattathil, S. Hahn, M. G. Doran-Peterson, J. TI Replacing a suite of commercial pectinases with a single enzyme, pectate lyase B, in Saccharomyces cerevisiae fermentations of cull peaches SO JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY LA English DT Article DE Saccharomyces cerevisiae; PelB; Glycome profile; Ethanol ID PLANT-CELL WALLS; SIMULTANEOUS SACCHARIFICATION; PROTEINS; EPITOPES; ETHANOL; SUGARS AB Fermentation of pectin-rich biomass with low concentrations of polysaccharides requires some treatment of the pectin, but does not need complete degradation of the polysaccharide to reach maximum ethanol yields. Cull peaches, whole rotten fruits that are not suitable for sale, contain high concentrations of glucose (27.7 % dw) and fructose (29.3 % dw) and low amounts of cellulose (2.8 % dw), hemicellulose (4.5 % dw) and pectin (5.6 % dw). Amounts of commercial saccharification enzymes, cellulase and cellobiase can be significantly decreased and commercial pectinase mixtures can be replaced completely with a single enzyme, pectate lyase (PelB), while maintaining ethanol yields above 90 % of the theoretical maximum. PelB does not completely degrade pectin; it only releases short chain oligogalacturonides. However, the activity of PelB is sufficient for the fermentation process, and its addition to fermentations without commercial pectinase increases ethanol production by similar to 12 %. C1 [Edwards, M. C.; Williams, T.; Doran-Peterson, J.] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. [Pattathil, S.; Hahn, M. G.] Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 USA. [Pattathil, S.; Hahn, M. G.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. [Hahn, M. G.] Univ Georgia, Dept Plant Biol, Athens, GA 30602 USA. RP Doran-Peterson, J (reprint author), Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. EM jpeterso@uga.edu OI Hahn, Michael/0000-0003-2136-5191; , Sivakumar Pattathil/0000-0003-3870-4137 FU University of Georgia Graduate Student Assistantship; Center for Undergraduate Research Opportunities at the University of Georgia; US Department of Energy, Energy Efficiency and Renewable Energy [DE-EE0000410]; Bio-Energy Science Center; Office of Biological and Environmental Research, Office of Science, US Department of Energy [DE-AC05-00OR22725]; NSF Plant Genome Program [DBI-0421683, IOS-0923992] FX This research was funded in part by a University of Georgia Graduate Student Assistantship to M. C. Edwards, and the Center for Undergraduate Research Opportunities at the University of Georgia provided partial funding to support T. D. Williams. We thank Alyssa Balles for her assistance with the saccharifications. All authors have agreed to submit this manuscript to the "Journal of Industrial Microbiology and Biotechnology." Fermentations and characterization of pectinases were partially supported by a grant from the US Department of Energy, Energy Efficiency and Renewable Energy (DE-EE0000410). The glycome profiling was supported by the Bio-Energy Science Center administered by Oak Ridge National Laboratory and funded by a grant (DE-AC05-00OR22725) from the Office of Biological and Environmental Research, Office of Science, US Department of Energy. The generation of the CCRC series of plant cell wall glycan-directed monoclonal antibodies used in this work was supported by the NSF Plant Genome Program (DBI-0421683 and IOS-0923992). NR 24 TC 0 Z9 1 U1 2 U2 14 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1367-5435 EI 1476-5535 J9 J IND MICROBIOL BIOT JI J. Ind. Microbiol. Biotechnol. PD APR PY 2014 VL 41 IS 4 BP 679 EP 686 DI 10.1007/s10295-013-1394-z PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AD2IE UT WOS:000333057300008 PM 24585204 ER PT J AU Verdal, N Her, JH Stavila, V Soloninin, AV Babanova, OA Skripov, AV Udovic, TJ Rush, JJ AF Verdal, Nina Her, Jae-Hyuk Stavila, Vitalie Soloninin, Alexei V. Babanova, Olga A. Skripov, Alexander V. Udovic, Terrence J. Rush, John J. TI Complex high-temperature phase transitions in Li2B12H12 and Na2B12H12 SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Dodecaborate; Neutron powder diffraction; Orientational disorder; Phase transition; Ion mobility; Superionic conductor ID DODECAHYDRO-CLOSO-DODECABORATE; CRYSTAL-STRUCTURE; INTERATOMIC DISTANCES; NMR; DECOMPOSITION; STABILITY; SYSTEM; LIBH4 AB Differential scanning calorimety measurements of Li2B12H12 and Na2B12H12 indicate hysteretic transformations to high-temperature phases at approximate to 615 K and 529 K, respectively, upon heating (1 K/min) from room temperature. X-ray and neutron powder diffraction measurements corroborate the phase-change behavior. For Li2B12H12, the diffraction data are consistent with a previous study suggesting that the overall face-centered-cubic arrangement of icosahedral B12H12- anions is maintained upon transformation to the high-temperature polymorph, although the anions are now orientationally disordered and the Li+ cations crystallographically disordered within an enlarged lattice. For Na2B12H12, the diffraction data indicate the existence of three different high-temperature phases in addition to the known low-temperature monoclinic phase. The highest-temperature structure possesses Im (3) over barm symmetry and exhibits a body-centered-cubic arrangement of orientationally disordered anions. The interstitial, disordered Na+ cations appear to favor off-center positions within the distorted tetrahedral sites formed by the anions in this structure. An intermediate Pm (3) over barn-symmetric phase at lower temperature is the result of a partial ordering of this higher-temperature structure. A third, minor, face-centered-cubic phase coexists with these high-temperature polymorphs. H-1 NMR measurements of Li2B12H12 and Na2B12H12 reveal an approximately two-orders-of-magnitude increase in the reorientational jump rate of the anions in both cases upon transformation to their high-temperature structures. The enhanced anion mobilities were corroborated by neutron scattering fixed-window scans across the respective phase boundaries. The inherent cation disorder associated with these high-temperature polymorphs suggests their potential use as superionic conductors. (C) 2014 Elsevier Inc. All rights reserved. C1 [Verdal, Nina; Udovic, Terrence J.; Rush, John J.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Verdal, Nina; Rush, John J.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Her, Jae-Hyuk] GE Global Res, Niskayuna, NY 12309 USA. [Stavila, Vitalie] Sandia Natl Labs, Livermore, CA 94551 USA. [Soloninin, Alexei V.; Babanova, Olga A.; Skripov, Alexander V.] Russian Acad Sci, Ural Branch, Inst Met Phys, Ekaterinburg 620990, Russia. RP Verdal, N (reprint author), NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. EM nina.verdal@nist.gov RI Babanova, Olga/J-4821-2013; Skripov, Alexander/K-4525-2013; Soloninin, Alexey/J-8580-2013 OI Babanova, Olga/0000-0002-2422-3263; Skripov, Alexander/0000-0002-0610-5538; Soloninin, Alexey/0000-0001-7127-9641 FU DOE EERE [DE-EE0002978, DE-AI-01-05EE11104, DE-AC04-94AL85000]; Russian Foundation for Basic Research [12-03-00078]; U.S. Civilian Research & Development Foundation (CRDF Global) [RUP1-7076-EK-12]; National Science Foundation [OISE-9531011, DMR-0944772] FX This work was partially supported by the DOE EERE through Grant Nos. DE-EE0002978, DE-AI-01-05EE11104, and DE-AC04-94AL85000 and by the Russian Foundation for Basic Research under Grant No. 12-03-00078, the U.S. Civilian Research & Development Foundation (CRDF Global) under Award No. RUP1-7076-EK-12 and the National Science Foundation under Cooperative Agreement No. OISE-9531011. This work utilized facilities supported in part by the National Science Foundation under Agreement DMR-0944772. NR 40 TC 23 Z9 23 U1 10 U2 56 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 EI 1095-726X J9 J SOLID STATE CHEM JI J. Solid State Chem. PD APR PY 2014 VL 212 BP 81 EP 91 DI 10.1016/j.jssc.2014.01.006 PG 11 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA AD2NC UT WOS:000333071400013 ER PT J AU Alie, D Gedvilas, L Wang, ZW Tenent, R Engtrakul, C Yan, YF Shaheen, SE Dillon, AC Ban, CM AF Alie, David Gedvilas, Lynn Wang, Zhiwei Tenent, Robert Engtrakul, Chaiwat Yan, Yanfa Shaheen, Sean E. Dillon, Anne C. Ban, Chunmei TI Direct synthesis of thermochromic VO2 through hydrothermal reaction SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Vanadium dioxide; Thermochromic; Crystal phase; VO2 (M) ID VANADIUM-OXIDES; PHASE-TRANSITION; NANOSTRUCTURES; TRANSPORT; NANORODS; FILMS; GEL AB Thermochromic VO2 was directly synthesized using hydrothermal techniques. The effects of formation conditions on the structure and morphology of the final product were studied through X-ray diffraction (XRD), and scanning electron microscopy (SEM). Unique hollow sphere morphology was observed for the synthesized VO2 powders. Ex-situ XRD studies after heat treatment confirmed the thermal stability of the VO2 structure. Thermochromic properties, as a consequence of the reversible structural transformation between monoclinic VO2 and tetragonal phases, were observed by Fourier transform infrared spectroscopy (FTIR). (C) 2014 Elsevier Inc. All rights reserved. C1 [Alie, David; Gedvilas, Lynn; Wang, Zhiwei; Tenent, Robert; Engtrakul, Chaiwat; Shaheen, Sean E.; Dillon, Anne C.; Ban, Chunmei] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Alie, David; Shaheen, Sean E.] Univ Denver, Denver, CO USA. [Wang, Zhiwei; Yan, Yanfa] Univ Toledo, Toledo, OH 43606 USA. RP Ban, CM (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM chunmei.ban@nrel.gov RI Shaheen, Sean/M-7893-2013 FU U.S. Department of Energy (DOE) under DOE Office of Energy Efficiency and Renewable Energy, Office of Building Technologies Program [DE-AC36-08GO28308] FX The authors acknowledge the funding support from the U.S. Department of Energy (DOE) under subcontract number DE-AC36-08GO28308 through the DOE Office of Energy Efficiency and Renewable Energy, Office of Building Technologies Program. The authors also thank Bobby To, Dr. Houwen Tang for help with Scanning Electron Microscopy. NR 29 TC 10 Z9 12 U1 11 U2 128 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 EI 1095-726X J9 J SOLID STATE CHEM JI J. Solid State Chem. PD APR PY 2014 VL 212 BP 237 EP 241 DI 10.1016/j.jssc.2013.10.023 PG 5 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA AD2NC UT WOS:000333071400035 ER PT J AU Webb, IK Chen, TC Danielson, WF Ibrahim, YM Tang, KQ Anderson, GA Smith, RD AF Webb, Ian K. Chen, Tsung-Chi Danielson, William F. Ibrahim, Yehia M. Tang, Keqi Anderson, Gordon A. Smith, Richard D. TI Implementation of Dipolar Resonant Excitation for Collision Induced Dissociation with Ion Mobility/Time-of-Flight MS SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE Ion mobility spectrometry; Collision induced dissociation; Peptide dissociation ID TANDEM MASS-SPECTROMETRY; ELECTROSPRAY-IONIZATION; PEPTIDE MIXTURES; LIQUID-CHROMATOGRAPHY; FUNNEL INTERFACE; AMINO-ACIDS; QUADRUPOLE; TRAP; ACTIVATION; GAS AB An ion mobility/time-of-flight mass spectrometer (IMS/TOF MS) platform that allows for resonant excitation collision induced dissociation (CID) is presented. Highly efficient, mass-resolved fragmentation without additional excitation of product ions was accomplished and over-fragmentation common in beam-type CID experiments was alleviated. A quadrupole ion guide was modified to apply a dipolar AC signal across a pair of rods for resonant excitation. The method was characterized with singly protonated methionine enkephalin and triply protonated peptide angiotensin I, yielding maximum CID efficiencies of 44 % and 84 %, respectively. The Mathieu q(x,y) parameter was set at 0.707 for these experiments to maximize pseudopotential well depths and CID efficiencies. Resonant excitation CID was compared with beam-type CID for the peptide mixture. The ability to apply resonant waveforms in mobility-resolved windows is demonstrated with a peptide mixture yielding fragmentation over a range of mass-to-charge (m/z) ratios within a single IMS-MS analysis. C1 [Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM rds@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU US Department of Energy (DOE) Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics project; NIH National Institute of General Medical Sciences [GM103493]; DOE [DE-AC05-76RL0 1830] FX Portions of this research were supported by the US Department of Energy (DOE) Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics project, and the NIH National Institute of General Medical Sciences (GM103493). This work was performed in the Environmental Molecular Science Laboratory (EMSL), a DOE national scientific user facility at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the DOE under contract DE-AC05-76RL0 1830. NR 60 TC 4 Z9 4 U1 0 U2 27 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 EI 1879-1123 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD APR PY 2014 VL 25 IS 4 BP 563 EP 571 DI 10.1007/s13361-013-0815-6 PG 9 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA AD2IL UT WOS:000333058100007 PM 24470195 ER PT J AU Marti, X Fina, I Frontera, C Liu, J Wadley, P He, Q Paull, RJ Clarkson, JD Kudrnovsky, J Turek, I Kunes, J Yi, D Chu, JH Nelson, CT You, L Arenholz, E Salahuddin, S Fontcuberta, J Jungwirth, T Ramesh, R AF Marti, X. Fina, I. Frontera, C. Liu, Jian Wadley, P. He, Q. Paull, R. J. Clarkson, J. D. Kudrnovsky, J. Turek, I. Kunes, J. Yi, D. Chu, J-H. Nelson, C. T. You, L. Arenholz, E. Salahuddin, S. Fontcuberta, J. Jungwirth, T. Ramesh, R. TI Room-temperature antiferromagnetic memory resistor SO NATURE MATERIALS LA English DT Article ID ANISOTROPIC MAGNETORESISTANCE; TUNNEL-JUNCTION; ALLOYS; PRINCIPLES AB The bistability of ordered spin states in ferromagnets provides the basis for magnetic memory functionality. The latest generation of magnetic random access memories rely on an efficient approach in which magnetic fields are replaced by electrical means for writing and reading the information in ferromagnets. This concept may eventually reduce the sensitivity of ferromagnets to magnetic field perturbations to being a weakness for data retention and the ferromagnetic stray fields to an obstacle for high-density memory integration. Here we report a room-temperature bistable antiferromagnetic (AFM) memory that produces negligible stray fields and is insensitive to strong magnetic fields. We use a resistor made of a FeRh AFM, which orders ferromagnetically roughly 100 K above room temperature, and therefore allows us to set different collective directions for the Fe moments by applied magnetic field. On cooling to room temperature, AFM order sets in with the direction of the AFM moments predetermined by the field and moment direction in the high-temperature ferromagnetic state. For electrical reading, we use an AFM analogue of the anisotropic magnetoresistance. Our microscopic theory modelling confirms that this archetypical spintronic effect, discovered more than 150 years ago in ferromagnets, is also present in AFMs. Our work demonstrates the feasibility of fabricating room-temperature spintronic memories with AFMs, which in turn expands the base of available magnetic materials for devices with properties that cannot be achieved with ferromagnets. C1 [Marti, X.; Paull, R. J.; Clarkson, J. D.; Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Marti, X.; Paull, R. J.; Clarkson, J. D.; Ramesh, R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Marti, X.; Turek, I.] Charles Univ Prague, Fac Math & Phys, Dept Condensed Matter Phys, CR-12116 Prague 2, Czech Republic. [Marti, X.; Wadley, P.; Kunes, J.; Jungwirth, T.] Inst Phys ASCR, Vvi, Prague 16253 6, Czech Republic. [Fina, I.; Frontera, C.; Fontcuberta, J.] ICMAB CSIC, Inst Ciencia Mat Barcelona, E-08193 Bellaterra, Spain. [Fina, I.] Max Planck Inst Microstruct Phys, D-06120 Halle, Germany. [Liu, Jian; Yi, D.; Chu, J-H.; Ramesh, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wadley, P.; Jungwirth, T.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. [He, Q.; Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Kudrnovsky, J.] Inst Phys ASCR, Vvi, Prague 18221 8, Czech Republic. [Turek, I.] Inst Phys Mat ASCR, Vvi, Brno 61662, Czech Republic. [Nelson, C. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [You, L.; Salahuddin, S.] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. RP Marti, X (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM xavi.marti@igsresearch.com RI Fontcuberta, Josep /A-7114-2013; Frontera, Carlos/B-4910-2008; Kunes, Jan/B-4484-2008; Fina, Ignasi/G-2210-2011; Foundry, Molecular/G-9968-2014; Marti, Xavier/E-1103-2014; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014; Jungwirth, Tomas/G-8952-2014; Liu, Jian/I-6746-2013; He, Qing/E-3202-2010 OI Fontcuberta, Josep/0000-0002-7955-2320; Frontera, Carlos/0000-0002-0091-4756; Kunes, Jan/0000-0001-9682-7640; Fina, Ignasi/0000-0003-4182-6194; Marti, Xavier/0000-0003-1653-5619; KUDRNOVSKY, Josef/0000-0002-9968-6748; Jungwirth, Tomas/0000-0002-9910-1674; Liu, Jian/0000-0001-7962-2547; FU NSF (Nanosystems Engineering Research Center for Translational Applications of Nanoscale Multiferroic Systems) [EEC-1160504]; DOE; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231]; Spanish Government [MAT2011-29269-C03, CSD2007-00041, MAT2012-33207]; Generalitat de Catalunya [SGR 00376]; Beatriu de Pinos postdoctoral scholarship [BP-A 00220]; Catalan Agency for Management of University; AGAUR-Generalitat de Catalunya; Grant Agency of the Czech Republic [P204/11/P339]; EPSRC [EP/K027808/1]; ERC [268066]; Praemium Academiae of the Academy of Sciences of the Czech Republic; Ministry of Education of the Czech Republic Grant [LM2011026]; STARnet FAME; I.T. acknowledge the Czech Science Foundation [P204/11/1228] FX The authors acknowledge the support from the NSF (Nanosystems Engineering Research Center for Translational Applications of Nanoscale Multiferroic Systems, Cooperative Agreement Award EEC-1160504) and DOE. Transmission electron microscopy characterization was performed at NCEM, which is supported by the Office of Science, Office of Basic Energy Sciences of the US Department of Energy under Contract No. DE-AC02-05CH11231. J.F. acknowledges financial support from the Spanish Government (Projects MAT2011-29269-C03, CSD2007-00041) and Generalitat de Catalunya (2009 SGR 00376); C. F. acknowledges financial support from the Spanish Government (Projects MAT2012-33207, CSD2007-00041). I. F. acknowledges a Beatriu de Pinos postdoctoral scholarship (2011 BP-A 00220) and the Catalan Agency for Management of University and Research Grants (AGAUR-Generalitat de Catalunya). X. M. acknowledges the Grant Agency of the Czech Republic No. P204/11/P339. Research at the University of Nottingham was funded by EPSRC grant EP/K027808/1. T.J. acknowledges support from the ERC Advanced Grant 268066, Praemium Academiae of the Academy of Sciences of the Czech Republic, and from the Ministry of Education of the Czech Republic Grant LM2011026. S. S. acknowledges funding by STARnet FAME. J. Kunes 83 and I.T. acknowledge the Czech Science Foundation No. P204/11/1228. NR 35 TC 114 Z9 114 U1 32 U2 267 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD APR PY 2014 VL 13 IS 4 BP 367 EP 374 DI 10.1038/NMAT3861 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA AD6UQ UT WOS:000333397100021 PM 24464243 ER PT J AU Xie, FL Stewart, CN Taki, FA He, QL Liu, HW Zhang, BH AF Xie, Fuliang Stewart, Charles Neal, Jr. Taki, Faten A. He, Qiuling Liu, Huawei Zhang, Baohong TI High-throughput deep sequencing shows that microRNAs play important roles in switchgrass responses to drought and salinity stress SO PLANT BIOTECHNOLOGY JOURNAL LA English DT Article DE switchgrass; high-throughput sequencing; microRNA; salt; drought; biofuel ID EXPRESSION PATTERNS; SMALL RNAS; ARABIDOPSIS-THALIANA; ORYZA-SATIVA; TRANSCRIPTION; PLANTS; GENES; OVEREXPRESSION; IDENTIFICATION; DICER-LIKE1 AB MicroRNAs (miRNAs) are an important class of small regulatory RNAs. The goal of this study was to analyse stress-responsive miRNAs in switchgrass (Panicum virgatum), the emerging biofuel crop, to facilitate choosing gene targets for improving biomass and biofuel yield. After sequencing three small RNA libraries constructed from control, salt- and drought-treated switchgrass using Illumina sequencing technology, we identified 670 known miRNA families from a total of more than 50million short reads. A total of 273 miRNAs were identified with precursors: 126 conserved miRNAs and 147 novel miRNAs. Of them, 265 miRNAs were found to have their opposite sequences (miRNA*) with 2-nt overhang on the 3 end. Of them, 194 were detected in switchgrass transcriptome sequences generated from 31 high-throughput RNA sequencing (RNA-Seq) data sets in NCBI. Many miRNAs were differentially or uniquely expressed during salinity or drought stress treatment. We also discovered 11 miRNA clusters containing 29 miRNAs. These identified miRNAs potentially targeted 28549 genes with a various function, including transcription factors, stress-response proteins and cellulose biosynthesis-related proteins. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis showed that the identified miRNAs and their targets were classified to 3779 GO terms including 1534 molecular functions, 1851 biological processes and 394 cellular components and were enriched to 147 KEGG pathways. Interestingly, 195 miRNA families and 450 targets were involved in the biosynthesis pathways of carbon, glucose, starch, fatty acid and lignin and in xylem formation, which could aid in designing next-generation switchgrass for biomass and biofuel. C1 [Xie, Fuliang; Taki, Faten A.; He, Qiuling; Liu, Huawei; Zhang, Baohong] E Carolina Univ, Dept Biol, Greenville, NC 27858 USA. [Stewart, Charles Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA. [Stewart, Charles Neal, Jr.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Zhang, BH (reprint author), E Carolina Univ, Dept Biol, Greenville, NC 27858 USA. EM zhangb@ecu.edu RI Zhang, Baohong/O-4948-2016 FU NIFA; Office of Biological and Environmental Research in the DOE Office of Science FX We greatly appreciate US Department of Energy Joint Genome Institute (JGI, http://www.jgi.doe.gov/) for switchgrass genome and its annotation produced by JGI in collaboration with the switchgrass research community. This project is partially supported by a grant from NIFA. The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 53 TC 38 Z9 42 U1 13 U2 124 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1467-7644 EI 1467-7652 J9 PLANT BIOTECHNOL J JI Plant Biotechnol. J. PD APR PY 2014 VL 12 IS 3 BP 354 EP 366 DI 10.1111/pbi.12142 PG 13 WC Biotechnology & Applied Microbiology; Plant Sciences SC Biotechnology & Applied Microbiology; Plant Sciences GA AD1XR UT WOS:000333027500008 PM 24283289 ER PT J AU Moaveni, B Barbosa, AR Conte, JP Hemez, FM AF Moaveni, Babak Barbosa, Andre R. Conte, Joel P. Hemez, Francois M. TI Uncertainty analysis of system identification results obtained for a seven-story building slice tested on the UCSD-NEES shake table SO STRUCTURAL CONTROL & HEALTH MONITORING LA English DT Article DE system identification; variability in modal parameters; uncertainty quantification ID RESPONSE SENSITIVITY-ANALYSIS; FRAME; MODELS; DAMAGE AB A full-scale seven-story reinforced concrete building section/slice was tested on the Network for Earthquake Engineering Simulation (NEES) shake table at the University of California San Diego during the period of October 2005 to January 2006. Three output-only system identification methods were used to extract the modal parameters (natural frequencies, damping ratios, and mode shapes) of the test structure at different damage states. In this study, the performance of these system identification methods is investigated in two cases: (Case I) when these methods are applied to the measured dynamic response of the structure and (Case II) when these methods are applied to the dynamic response of the structure simulated using a three-dimensional nonlinear finite element model thereof. In both cases, the uncertainty/variability of the identified modal parameters due to the variability of several input factors is quantified through analysis of variance (ANOVA). In addition to ANOVA, meta-models are used for effect screening in Case II (based on the simulated data), which also capture the effects of linear interactions of the input factors. The four input factors considered in Case I are amplitude of input excitation, spatial density of measurements, length of response data used for system identification, and model order used in the parametric system identification methods. In the second case of uncertainty analysis, in addition to these four input factors, measurement noise is also considered. The results show that for all three methods considered, the amplitude of excitation is the most significant factor explaining the variability of the identified modal parameters, especially the natural frequencies. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Moaveni, Babak] Tufts Univ, Dept Civil & Environm Engn, Medford, MA 02155 USA. [Barbosa, Andre R.] Oregon State Univ, Sch Civil & Construct Engn, Corvallis, OR 97331 USA. [Conte, Joel P.] Univ Calif San Diego, Dept Struct Engn, San Diego, CA 92103 USA. [Hemez, Francois M.] Los Alamos Natl Lab, XCP Div 1, Los Alamos, NM USA. RP Moaveni, B (reprint author), Tufts Univ, Dept Civil & Environm Engn, Medford, MA 02155 USA. EM babak.moaveni@tufts.edu RI Barbosa, Andre/H-1708-2016; Moaveni, Babak/E-9083-2011; OI Barbosa, Andre/0000-0003-4547-531X; Hemez, Francois/0000-0002-5319-4078 FU Englekirk Center Industry Advisory Board; Lawrence Livermore National Laboratory; Engineering Institute; Department of Civil Engineering of the Universidade Nova de Lisboa; Portuguese Foundation for Science and Technology [BD/17266/2004] FX Partial supports of this study by the Englekirk Center Industry Advisory Board and the Lawrence Livermore National Laboratory with Dr David McCallen as program director are acknowledged. The authors would like to thank Professors Jose Restrepo, Marios Panagiotou, and Ozgur Ozcelik as well as the technical staff at the Englekirk Center for their help in collecting the test data. The authors acknowledge the support of the Engineering Institute, a joint educational and research program between the University of California, San Diego, Jacobs School of Engineering and the Los Alamos National Laboratory. The second author would also like to acknowledge the support provided by the Department of Civil Engineering of the Universidade Nova de Lisboa and the Portuguese Foundation for Science and Technology (BD/17266/2004). Any opinions, findings, and conclusions or recommendations expressed in this paper are those of the authors and do not necessarily reflect those of the sponsors. NR 32 TC 5 Z9 5 U1 3 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1545-2255 EI 1545-2263 J9 STRUCT CONTROL HLTH JI Struct. Control. Health Monit. PD APR PY 2014 VL 21 IS 4 BP 466 EP 483 DI 10.1002/stc.1577 PG 18 WC Construction & Building Technology; Engineering, Civil; Instruments & Instrumentation SC Construction & Building Technology; Engineering; Instruments & Instrumentation GA AD1YP UT WOS:000333029900002 ER PT J AU Jermwongratanachai, T Jacobs, G Shafer, WD Ma, WP Pendyala, VRR Davis, BH Kitiyanan, B Khalid, S Cronauer, DC Kropf, AJ Marshall, CL AF Jermwongratanachai, Thani Jacobs, Gary Shafer, Wilson D. Ma, Wenping Pendyala, Venkat Ramana Rao Davis, Burtron H. Kitiyanan, Boonyarach Khalid, Syed Cronauer, Donald C. Kropf, A. Jeremy Marshall, Christopher L. TI Fischer-Tropsch Synthesis: Oxidation of a Fraction of Cobalt Crystallites in Research Catalysts at the Onset of FT at Partial Pressures Mimicking 50 % CO Conversion SO TOPICS IN CATALYSIS LA English DT Article DE Fischer-Tropsch synthesis (FTS); Gas-to-liquids (GTL); Cobalt crystallites; Size-dependent reoxidation ID PROMOTED CO/AL2O3 CATALYSTS; IN-SITU EXAFS; ALUMINATE FORMATION; DEACTIVATION; WATER; HYDROGENATION; REDUCIBILITY; PARTICLES; SUPPORT; XANES AB Freshly H-2-reduced catalyst samples and FTS catalyst samples (i.e., freshly reduced and immediately exposed to the onset of FTS conditions corresponding to 50 % CO conversion) were prepared. Each sample was coated in situ using molten polywax and solidified so that an air-protected sample was obtained, which was stored in inert gas. XAS was utilized to investigate the oxidation state of cobalt. A fraction of cobalt crystallites in the freshly reduced research catalysts having lower-than-commercial loading and smaller crystallites undergoes a degree of oxidation to CoO at the onset of FTS conditions simulating 50 % CO conversion (i.e., the H2O partial pressure is high enough to induce some oxidation). Therefore, by decreasing Co content with the aim of improving the dispersion of cobalt and Co efficiency, very small Co crystallites are obtained. Their reoxidation at the onset of FTS is an unintended consequence. Thus, catalysts should be designed to have an optimum narrow cluster size range-small enough to increase Co surface site densities, but large enough to avoid reoxidation, and the stability problems that arise from having unreduced Co in the working catalyst (e.g., a complex coalescence and reduction mechanism). C1 [Jermwongratanachai, Thani; Jacobs, Gary; Shafer, Wilson D.; Ma, Wenping; Pendyala, Venkat Ramana Rao; Davis, Burtron H.] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. [Jermwongratanachai, Thani; Kitiyanan, Boonyarach] Chulalongkorn Univ, Petr & Petrochem Coll, Bangkok 10330, Thailand. [Khalid, Syed] Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. [Cronauer, Donald C.; Kropf, A. Jeremy; Marshall, Christopher L.] Argonne Natl Lab, Argonne, IL 60439 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 Marshall, Christopher/D-1493-2015; Jacobs, Gary/M-5349-2015 OI Marshall, Christopher/0000-0002-1285-7648; Jacobs, Gary/0000-0003-0691-6717 FU NASA [NNX11AI75A]; commonwealth of Kentucky; US DOE, Division of Materials Science and Chemical Science; Fulbright-Thailand Research Fund scholarship program; U.S. DOE, Office of Fossil Energy, NETL; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was sponsored by a NASA grant (Relating FTS catalyst properties to performance No. NNX11AI75A) and the commonwealth of Kentucky. This research was carried out, in part, at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the US DOE, Division of Materials Science and Chemical Science. We are also grateful to the Fulbright-Thailand Research Fund scholarship program for financial support for Mr. Thani Jermwongratanachai. Argonne's research was supported in part by the U.S. DOE, Office of Fossil Energy, NETL. The use of the APS was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. MRCAT operations are supported by the DOE and the MRCAT member institutions. NR 33 TC 11 Z9 11 U1 0 U2 26 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2014 VL 57 IS 6-9 BP 479 EP 490 DI 10.1007/s11244-013-0204-1 PG 12 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AC9BO UT WOS:000332829200009 ER PT J AU Melaet, G Lindeman, AE Somorjai, GA AF Melaet, Gerome Lindeman, Avery E. Somorjai, Gabor A. TI Cobalt Particle Size Effects in the Fischer-Tropsch Synthesis and in the Hydrogenation of CO2 Studied with Nanoparticle Model Catalysts on Silica SO TOPICS IN CATALYSIS LA English DT Article DE Cobalt nanoparticles; Structure Sensitivity; Fischer-Tropsch; CO2 hydrogenation; Selectivity; Size dependence ID WATER-GAS SHIFT; IN-SITU DRIFTS; STRUCTURE SENSITIVITY; BIMETALLIC NANOPARTICLES; PYRROLE HYDROGENATION; REACTION SELECTIVITY; MESOPOROUS SILICA; STEADY-STATE; NM; MONODISPERSE AB We have investigated the effect of cobalt nanoparticle size in Fischer-Tropsch synthesis (CO/H-2) and have compared it to data obtained for carbon dioxide hydrogenation (CO2/H-2) using model catalysts produced by colloidal methods. Both reactions demonstrated size dependence, in which we observed an increase of the turnover frequency with increasing average particle size. In both case, a maximum activity was found for cobalt particles around 10-11 nm in size. Regarding the selectivity, no size-dependent effect has been observed for the CO2 hydrogenation, whereas CO hydrogenation selectivity depends both on the temperature and on the size of the particles. The hydrogenation of CO2 produces mainly methane and carbon monoxide for all sizes and temperatures. The Fischer-Tropsch reaction exhibited small changes in the selectivity at low temperature (below 250 A degrees C) while at high temperatures we observed an increase in chain growth with the increase of the size of cobalt particles. At 250 A degrees C, large crystallites exhibit a higher selectivity to olefin than to the paraffin equivalents, indicating a decrease in the hydrogenation activity. C1 [Melaet, Gerome; Lindeman, Avery E.; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Melaet, Gerome; Lindeman, Avery E.; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu RI Melaet, Gerome/N-4879-2015 OI Melaet, Gerome/0000-0003-1414-1683 FU Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geological and Biosciences of the US Department of Energy [DE-AC02-05CH11231]; Total FX We acknowledge support from the Director, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geological and Biosciences of the US Department of Energy under contract DE-AC02-05CH11231. Funding for the high-pressure reactor was provided by Total. NR 48 TC 20 Z9 20 U1 1 U2 92 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2014 VL 57 IS 6-9 BP 500 EP 507 DI 10.1007/s11244-013-0206-z PG 8 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AC9BO UT WOS:000332829200011 ER PT J AU da Silva, AAA Ribeiro, MC Cronauer, DC Kropf, AJ Marshall, CL Gao, P Jacobs, G Davis, BH Noronha, FB Mattos, LV AF da Silva, Andressa A. A. Ribeiro, Mauro C. Cronauer, Donald C. Kropf, A. Jeremy Marshall, Christopher L. Gao, Pei Jacobs, Gary Davis, Burtron H. Noronha, Fabio B. Mattos, Lisiane V. TI Ethanol Reforming Reactions Over Co and Cu Based Catalysts Obtained from LaCoCuO3 Perovskite-Type Oxides SO TOPICS IN CATALYSIS LA English DT Article DE Perovskite-type oxides; Combustion method; Ethanol conversion reactions; Hydrogen production; Co and Cu catalysts ID HYDROGEN-PRODUCTION; PARTIAL OXIDATION; PRODUCE HYDROGEN; BIO-ETHANOL; PT/CEZRO2 CATALYST; REACTION-MECHANISM; CARBON DEPOSITION; STEAM; METHANE; REDUCTION AB The performance of catalysts derived from LaCo1-xCuxO3 (x = 0.0 or 0.2) perovskite-type oxides for steam reforming (SR) and oxidative SR of ethanol at 773 K was evaluated. All catalysts deactivated during SR of ethanol. In the absence of Cu, the increase of calcination temperature from 873 to 1,073 K did not affect the stability of the samples. On the other hand, for the samples containing Cu, it was detected a higher rate of deactivation when the calcination temperature was increased. The loss of activity of LaCoO3 was attributed to the oxidation of Co metallic particles and amorphous carbon formation as revealed by in situ XAFS and thermogravimetric analyses. The addition of Cu favored the formation of carbon filaments. Moreover, the presence of oxygen in the feed decreased the carbon formation, improving the stability of the catalysts. C1 [da Silva, Andressa A. A.; Ribeiro, Mauro C.; Noronha, Fabio B.] Inst Nacl Tecnol, BR-20081312 Rio De Janeiro, Brazil. [da Silva, Andressa A. A.; Mattos, Lisiane V.] Univ Fed Fluminense, BR-24210240 Niteroi, RJ, Brazil. [Cronauer, Donald C.; Kropf, A. Jeremy; Marshall, Christopher L.] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. [Gao, Pei; Jacobs, Gary; Davis, Burtron H.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Mattos, LV (reprint author), Univ Fed Fluminense, Rua Passo Patria 156, BR-24210240 Niteroi, RJ, Brazil. EM lisiane@vm.uff.br RI Marshall, Christopher/D-1493-2015; Jacobs, Gary/M-5349-2015 OI Marshall, Christopher/0000-0002-1285-7648; Jacobs, Gary/0000-0003-0691-6717 FU CNPq; LNLS [D04B-XAFS-1, 14405]; Commonwealth of Kentucky; U.S. Department of Energy (DOE), Office of Fossil Energy, National Energy Technology Laboratory (NETL) [AA-10-15, 49261-00-107]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions; [CTENERG/FINEP-01.04.0525.00] FX Andressa A. A. da Silva and Mauro C. Ribeiro acknowledge the scholarship received from CNPq. This work received financial support of CTENERG/FINEP-01.04.0525.00. The authors thank also LNLS for the support and beamline time under project # D04B-XAFS-1, 14405. The work carried out at the CAER was supported in part by funding from the Commonwealth of Kentucky. Argonne's research was supported in part by the U.S. Department of Energy (DOE), Office of Fossil Energy, National Energy Technology Laboratory (NETL) under Project AA-10-15; 49261-00-107. The use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and MRCAT member institutions. NR 43 TC 2 Z9 2 U1 4 U2 41 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2014 VL 57 IS 6-9 BP 637 EP 655 DI 10.1007/s11244-013-0222-z PG 19 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AC9BO UT WOS:000332829200026 ER PT J AU Liu, CC Bolin, T Northrup, P Lee, S McEnally, C Kelleher, P Pfefferle, L Haller, GL AF Liu, Changchang Bolin, Trudy Northrup, Paul Lee, Sungchul McEnally, Charles Kelleher, Patrick Pfefferle, Lisa Haller, Gary L. TI Combined Zr and S XANES Analysis on S-ZrO2/MWCNT Solid Acid Catalyst SO TOPICS IN CATALYSIS LA English DT Article DE S XANES; First-derivative Analysis; Third-derivative analysis; Multiple-edge XANES; Sulfated zirconia; Solid acid catalyst ID SULFATED ZIRCONIA; ABSORPTION-SPECTROSCOPY; ZRO2/MWCNT COMPOSITES; CARBON NANOTUBES; RECENT PROGRESS; NANOPARTICLES; SPECTRA AB Sulfated zirconia (S-ZrO2) is a versatile solid acid catalyst that has wide application in hydrocarbon conversion reactions. In our previous work, we have developed well-dispersed ZrO2 nanoparticles supported on multi-walled carbon nanotubes (MWCNT) to form a ZrO2/MWCNT composite, which, upon sulfation, becomes a S-ZrO2/MWCNT solid acid catalyst. While X-ray absorption spectroscopy (XAS) of this composite at the C, O, Zr K-edges has been well studied in our previous reports, XAS at the S K-edge is complicated by the Zr L-edges that bracket the S K-edge. In this study, we have used conventional S XANES, together with first-derivative and third-derivative analysis, to probe the sulfur species formed during the catalyst preparation and their interaction with Zr. We have also designed combined Zr and S XANES, which spans 400 eV and covers all three Zr L-edges and the S K-edge, to study the Zr and S interaction. Such use of multiple-edge XANES to study the S-ZrO2 system at low X-ray energy (2,200-2,600 eV) was first reported in the previous publication of our research group, and in this paper we elaborate on the comprehensive study of our catalyst system using this method. C1 [Liu, Changchang; McEnally, Charles; Kelleher, Patrick; Pfefferle, Lisa; Haller, Gary L.] Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA. [Bolin, Trudy] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Northrup, Paul] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Lee, Sungchul] Samsung SDI Co Ltd, Corp R&D Ctr, Energy Lab, Yongin 446577, Gyeonggi Do, South Korea. RP Haller, GL (reprint author), Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA. EM gary.haller@yale.edu RI McEnally, Charles/N-9999-2016 OI McEnally, Charles/0000-0002-6820-921X FU DOE, Office of Basic Energy Sciences [DE-FG02-01ER15183]; AFOSR MURI [FA9550-08-0309]; U.S. DOE [DE-AC02-06CH11357]; U. S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors (C. L., L. P. and G. L. H. of Yale University) are grateful to the DOE, Office of Basic Energy Sciences, grant DE-FG02-01ER15183, and AFOSR MURI grant FA9550-08-0309 for financial support. The use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. Electron Microscopy work was carried out by Dong Su at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U. S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886, and we wish to thank the beam line scientists Dario Arena, George Sterbinsky, and Jing Liu of U4B for their onsite help. We would also like to thank Fang Fang, Gayatri Keskar, Magdalena Majewska, Fang Ren, and Nan Yi of our research group, and Hong Wang of Nanyang Technological University (Singapore) for their assistance and help in collecting data on the beamlines. NR 19 TC 4 Z9 4 U1 3 U2 29 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2014 VL 57 IS 6-9 BP 693 EP 705 DI 10.1007/s11244-013-0226-8 PG 13 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AC9BO UT WOS:000332829200030 ER PT J AU Soykal, II Sohn, H Miller, JT Ozkan, US AF Soykal, I. Ilgaz Sohn, Hyuntae Miller, Jeffrey T. Ozkan, Umit S. TI Investigation of the Reduction/Oxidation Behavior of Cobalt Supported on Nano-ceria SO TOPICS IN CATALYSIS LA English DT Article DE Cobalt; Particle size; Ceria; Reduction; Kissinger; XANES; Quantitative isothermal reduction (QIR) ID FISCHER-TROPSCH SYNTHESIS; WATER-GAS SHIFT; PREFERENTIAL OXIDATION; IN-SITU; HYDROGEN-PRODUCTION; CO/CEO2 CATALYSTS; PARTICLE-SIZE; ETHANOL; METAL; REDUCIBILITY AB The oxidation and reduction behavior of cobalt catalysts supported on nano-ceria (5-8 nm) was investigated under hydrogen, oxygen and water atmospheres. A novel quantitative isothermal reduction (QIR) technique was introduced to analyze the kinetics and activation barrier of Co reduction. CoO to Co reduction was found to be of first order in the 250-350 A degrees C temperature range. Temperature programmed reduction and oxidation experiments were conducted and the Kissinger method was used to obtain apparent activation energies for reduction and oxidation with O-2. The apparent activation energy for CoO reduction was found to agree with that obtained from the QIR technique. Re-oxidation of Co metal was found to have a slightly lower activation energy barrier than the reduction. The reduction and oxidation behavior was further investigated with in situ XANES where the reaction order for reduction was observed to change at 450 A degrees C. The pre-reduced samples were seen to re-oxidize under a water atmosphere, where the oxidation followed first order kinetics. Re-oxidation by water yielded a higher activation energy when compared to re-oxidation under oxygen. C1 [Soykal, I. Ilgaz; Sohn, Hyuntae; Ozkan, Umit S.] Ohio State Univ, Dept Chem & Biomol Engn, Columbus, OH 43210 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Ozkan, US (reprint author), Ohio State Univ, Dept Chem & Biomol Engn, 140 W 19th Ave, Columbus, OH 43210 USA. EM ozkan.1@osu.edu FU US Department of Energy [DE-FG36-05GO15033]; Dow Chemical Company; State of Illinois; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-ACO2-06CH11357] FX We gratefully acknowledge the funding from the US Department of Energy for the Grant DE-FG36-05GO15033. XAFS portion of this work was performed at the Dupont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). E.I. DuPont de Nemours & Co., The Dow Chemical Company and the State of Illinois supported DND-CAT. Use of the APS was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-ACO2-06CH11357. NR 33 TC 5 Z9 5 U1 2 U2 51 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2014 VL 57 IS 6-9 BP 785 EP 795 DI 10.1007/s11244-013-0235-7 PG 11 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AC9BO UT WOS:000332829200039 ER PT J AU Etminan, N Buchholz, BA Dreier, R Bruckner, P Torner, JC Steiger, HJ Hanggi, D Macdonald, RL AF Etminan, Nima Buchholz, Bruce A. Dreier, Rita Bruckner, Peter Torner, James C. Steiger, Hans-Jakob Haenggi, Daniel Macdonald, R. Loch TI Cerebral Aneurysms: Formation, Progression, and Developmental Chronology SO TRANSLATIONAL STROKE RESEARCH LA English DT Article DE Intracranial aneurysms; Aneurysm progression; Aneurysm formation; Developmental chronology ID UNRUPTURED INTRACRANIAL ANEURYSMS; ACCELERATOR MASS-SPECTROMETRY; BOMB C-14 DATA; SUBARACHNOID HEMORRHAGE; NATURAL-HISTORY; ENDOVASCULAR TREATMENT; COMPUTATIONAL MODEL; JAPANESE COHORT; AGE CALIBRATION; CELL TURNOVER AB The prevalence of unruptured intracranial aneurysms (UIAs) in the general population is up to 3 %. Existing epidemiological data suggests that only a small fraction of UIAs progress towards rupture over the lifetime of an individual, but the surrogates for subsequent rupture and the natural history of UIAs are discussed very controversially at present. In case of rupture of an UIA, the case fatality is up to 50 %, which therefore continues to stimulate interest in the pathogenesis of cerebral aneurysm formation and progression. Actual data on the chronological development of cerebral aneurysm has been especially difficult to obtain and, until recently, the existing knowledge in this respect is mainly derived from animal or mathematical models or short-term observational studies. Here, we review the current data on cerebral aneurysm formation and progression as well as a novel approach to investigate the developmental chronology of cerebral aneurysms. C1 [Etminan, Nima; Steiger, Hans-Jakob; Haenggi, Daniel] Univ Dusseldorf, Fac Med, Dept Neurosurg, D-40225 Dusseldorf, Germany. [Buchholz, Bruce A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Dreier, Rita; Bruckner, Peter] Univ Munster, Inst Physiol Chem & Pathobiochem, D-48149 Munster, Germany. [Torner, James C.] Univ Iowa, Dept Epidemiol, Iowa City, IA USA. [Macdonald, R. Loch] Univ Toronto, St Michaels Hosp,Keenan Res Ctr, Labatt Family Ctr Excellence Brain Injury & Traum, Div Neurosurg,Dept Surg,Li Ka Shing Knowledge Ins, Toronto, ON, Canada. RP Etminan, N (reprint author), Univ Dusseldorf, Fac Med, Dept Neurosurg, Moorenstr 5, D-40225 Dusseldorf, Germany. EM etminan@uni-duesseldorf.de FU Physicians Services Incorporated Foundation; Brain Aneurysm Foundation; Canadian Institutes of Health Research; Heart and Stroke Foundation of Ontario; NIH/NIGMS [8P41GM103483]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX NE and RLM receive grant support from the Physicians Services Incorporated Foundation. RLM receives grant support from the Brain Aneurysm Foundation, Canadian Institutes of Health Research, and the Heart and Stroke Foundation of Ontario. RLM is a consultant for Actelion Pharmaceuticals and Chief Scientific Officer of Edge Therapeutics, Inc. NE, DH, and RLM are scientific advisors/officers for Edge Therapeutics, Inc.; Support was also provided by NIH/NIGMS 8P41GM103483. This work was performed in part under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 68 TC 5 Z9 9 U1 1 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1868-4483 EI 1868-601X J9 TRANSL STROKE RES JI Transl. Stroke Res. PD APR PY 2014 VL 5 IS 2 BP 167 EP 173 DI 10.1007/s12975-013-0294-x PG 7 WC Clinical Neurology; Neurosciences SC Neurosciences & Neurology GA AD2FT UT WOS:000333050000002 PM 24323717 ER PT J AU Vilim, M Botterud, A AF Vilim, Michael Botterud, Audun TI Wind power bidding in electricity markets with high wind penetration SO APPLIED ENERGY LA English DT Article DE Wind; Power; Bidding; Pricing; Electricity; Imbalance ID UNCERTAINTY; GENERATION; ENERGY AB Objective: The optimal day-ahead bidding strategy is studied for a wind power producer operating in an electricity market with high wind penetration. Methods: A generalized electricity market is studied with minimal assumptions about the structure of the production, bidding, or consumption of electricity. Two electricity imbalance pricing schemes are investigated, the one price and the two price scheme. A stochastic market model is created to capture the price effects of wind power production and consumption. A bidding algorithm called SCOPES (Supply Curve One Price Estimation Strategy) is developed for the one price system. A bidding algorithm called MIMICS (Multivariate Interdependence Minimizing Imbalance Cost Strategy) is developed for the two price system. Results: Both bidding strategies are shown to have advantages over the assumed "default" bidding strategy, the point forecast. Conclusion: The success of these strategies even in the case of high deviation penalties in a one price system and the implicit deviation penalties of the two price system has substantial implications for power producers and system operators in electricity markets with a high level of wind penetration. Practice implications: From an electricity market design perspective, the results indicate that further penalties or regulations may be needed to reduce system imbalance. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Vilim, Michael; Botterud, Audun] Argonne Natl Lab, Lemont, IL 60439 USA. [Vilim, Michael] Univ Illinois, Champaign, IL 61820 USA. RP Vilim, M (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. EM michael.vilim@gmail.com; abotterud@anl.gov NR 29 TC 17 Z9 17 U1 1 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD APR 1 PY 2014 VL 118 BP 141 EP 155 DI 10.1016/j.apenergy.2013.11.055 PG 15 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AC3PZ UT WOS:000332435000015 ER PT J AU Dhingra, S Hsu, JF Vlassiouk, I D'Urso, B AF Dhingra, Shonali Hsu, Jen-Feng Vlassiouk, Ivan D'Urso, Brian TI Chemical vapor deposition of graphene on large-domain ultra-flat copper SO CARBON LA English DT Article ID FEW-LAYER GRAPHENE; LARGE-AREA; MONOLAYER GRAPHENE; HIGH-QUALITY; FILMS; GROWTH; FOILS; NUCLEATION; GRAPHITE; HYDROGEN AB Copper foil is the most commonly used substrate for chemical vapor deposition (CVD) growth of graphene, despite the impact of its surface roughness and polycrystalline structure on the resulting graphene. Here we present a method of preparing thick, ultra-flat copper substrates for growing graphene by CVD. We demonstrate the growth of graphene on these substrates using the common Atmospheric Pressure CVD (APCVD) and Low Pressure CVD (LPCVD) methods. We show that compared to copper foil, graphene grown on these thick ultra-flat copper substrates by APCVD results in 50 times smoother graphene on copper. Furthermore, the thick copper substrates have at least 5 times larger copper domains, compared to conventionally prepared copper foil. The evolution of the surface roughness in each growth method is also presented. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Dhingra, Shonali; Hsu, Jen-Feng; D'Urso, Brian] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Vlassiouk, Ivan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP D'Urso, B (reprint author), Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. EM dursobr@pitt.edu RI Vlassiouk, Ivan/F-9587-2010 OI Vlassiouk, Ivan/0000-0002-5494-0386 FU DARPA Young Faculty Award FX We thank W. J. Choyke and his students, D. Yates and N. Grama, for helping us with the roughness measurements on the interferometer. This research was supported by a DARPA Young Faculty Award. NR 42 TC 13 Z9 13 U1 6 U2 110 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD APR PY 2014 VL 69 BP 188 EP 193 DI 10.1016/j.carbon.2013.12.014 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AB6RT UT WOS:000331917900020 ER PT J AU Voylov, DN Agapov, AL Sokolov, AP Shulga, YM Arbuzov, AA AF Voylov, Dmitry N. Agapov, Alexander L. Sokolov, Alexei P. Shulga, Yuri M. Arbuzov, Artem A. TI Room temperature reduction of multilayer graphene oxide film on a copper substrate: Penetration and participation of copper phase in redox reactions SO CARBON LA English DT Article ID EXFOLIATED GRAPHITE OXIDE; ELECTRICAL-CONDUCTIVITY; AQUEOUS DISPERSIONS; THIN-FILMS; SHEETS; XPS; NANOELECTRONICS; TRANSPARENT; NANOSHEETS; EVOLUTION AB A self-reduction of graphene oxide (GO) at room temperature after prolonged storage on a copper substrate is evidenced by decrease of oxygen content and a dramatic, 6 orders in magnitude, increase in dc conductivity. Experiments revealed that the stored GO film contains copper hydroxide phase embedded in the reduced GO structure. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Voylov, Dmitry N.; Agapov, Alexander L.; Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Voylov, Dmitry N.; Shulga, Yuri M.; Arbuzov, Artem A.] RAS, Inst Problems Chem Phys, Chernogolovka 142432, Moscow Region, Russia. [Voylov, Dmitry N.; Shulga, Yuri M.] RAS, Sci Ctr Chernogolovka, Joint Analyt Ctr, Chernogolovka 142432, Moscow Region, Russia. [Agapov, Alexander L.; Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37996 USA. RP Voylov, DN (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM dvoylov@utk.edu RI Voylov, Dmitry/H-4059-2013; Arbuzov, Artem/P-6017-2014 OI Voylov, Dmitry/0000-0001-5552-6024; FU Russian Foundation of Basic Researches [11-03-01190-a]; Basic Research Program of the Presidium of RAS [24]; Division of Materials Science and Engineering, U.S. Department of Energy, Office of Basic Energy Sciences FX This research was funded by the Russian Foundation of Basic Researches (11-03-01190-a) and the Basic Research Program of the Presidium of RAS (#24). US team acknowledges partial financial support from the Division of Materials Science and Engineering, U.S. Department of Energy, Office of Basic Energy Sciences. These studies were performed in the framework of the US-Russia agreement on Collaboration in Clean Energy Technologies. NR 47 TC 7 Z9 7 U1 0 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD APR PY 2014 VL 69 BP 563 EP 570 DI 10.1016/j.carbon.2013.12.067 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AB6RT UT WOS:000331917900060 ER PT J AU Donovan, SM Desroches, LB Pirie, MF Greenblatt, JB AF Donovan, Sally M. Desroches, Louis-Benoit Pirie, Mia Forbes Greenblatt, Jeffery B. TI Determination of accurate television usage profiles: a US case study SO ENERGY EFFICIENCY LA English DT Article DE Energy efficiency; US appliance standards; Television; Hours of use; Residential AB In order to project the potential energy savings from implementing energy efficiency policy, realistic usage profiles are essential. In the case of televisions (TVs), these usage profiles can be complex due to the range of functions TVs provide, the increasing number of TVs per household, the increasing hours of TV viewing, and the changing usage of a TV over its lifetime. Calculating the energy use of a TV over its lifetime is a challenge because, when a new TV is purchased, the old TV is often maintained and used less frequently in another room in the home, rather than being disposed of. Due to limited access to comprehensive usage data, previous analyses have either assumed a single static usage value, based on either metered or survey data, or estimated a usage profile adjusted from measured values to account for possible increases in future viewing. In this analysis, we investigate detailed TV usage over time using historical metered TV use data from more than 12,000 U.S. households, collected by The Nielsen Company. We found that the main TV in a household is used for 7.2 h per day, while other TVs are used for 2.5 h per day or less. We also found that 65 % of TVs in the total stock are considered the "main" TV. Combining this information, we determined the mean hours per day per TV to be 5.5. C1 [Donovan, Sally M.] Sally Donovan Environm Res, Ocean Grove, Vic, Australia. [Desroches, Louis-Benoit; Greenblatt, Jeffery B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Pirie, Mia Forbes] Policy Partners, London, England. RP Donovan, SM (reprint author), Sally Donovan Environm Res, 22 Arcturus Rd, Ocean Grove, Vic, Australia. EM smdonovan53@gmail.com NR 25 TC 1 Z9 1 U1 0 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD APR PY 2014 VL 7 IS 2 BP 257 EP 270 DI 10.1007/s12053-013-9222-x PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA AC8NF UT WOS:000332789200006 ER PT J AU Kabirian, F Khan, AS Pandey, A AF Kabirian, Farhoud Khan, Akhtar S. Pandey, Amit TI Negative to positive strain rate sensitivity in 5xxx series aluminum alloys: Experiment and constitutive modeling SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE 5xxx series aluminum alloys; Strain rate sensitivity; Dynamic strain aging; Constitutive modeling ID WIDE-RANGE; ANISOTROPIC RESPONSES; SOLID-SOLUTIONS; FCC METALS; TEMPERATURES; FLOW; BEHAVIOR; AA5083-H116; MECHANISMS; AA5182-O AB Uniaxial tension and compression tests, at both quasi-static and dynamic ranges of loadings, are utilized to study the thermo-mechanical response of an AA5182-O sheet The strain rate at quasi-static regime ranges from 10(-4) to 10(0) (s(-1)) and at dynamic loading is chosen to be around 3500 (s-1). Measurements are reported at temperatures of 296 K, 338 K, 373 K, 423 K, and 473 K. While at temperatures lower than the critical temperature of T-c, the flow stress decreases with increase of strain rate during quasi-static loading; above this temperature, the measured response shows positive strain rate sensitivity at the same strain rate range. In contrast, significant positive strain rate sensitivity prevails at dynamic loading over the whole range of temperature. A constitutive model is proposed to predict the stress-strain response of the alloy over the studied strain rate and temperature ranges. The developed model is also calibrated for another AA5xxx alloy series, AA5754-O, to evaluate the capability of the developed model in capturing transition from negative to positive strain rate sensitivity. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kabirian, Farhoud; Khan, Akhtar S.; Pandey, Amit] Univ Maryland Baltimore Cty, Dept Mech Engn, Baltimore, MD 21250 USA. [Pandey, Amit] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Kabirian, F (reprint author), Univ Maryland Baltimore Cty, Dept Mech Engn, Baltimore, MD 21250 USA. EM farhoud1@umbc.edu; Khan@umbc.edu NR 41 TC 17 Z9 18 U1 8 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD APR PY 2014 VL 55 BP 232 EP 246 DI 10.1016/j.ijplas.2013.11.001 PG 15 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AC8VC UT WOS:000332812200013 ER PT J AU Mi, HY Li, Z Turng, LS Sun, YG Gong, SQ AF Mi, Hao-Yang Li, Zheng Turng, Lih-Sheng Sun, Yugang Gong, Shaoqin TI Silver nanowire/thermoplastic polyurethane elastomer nanocomposites: Thermal, mechanical, and dielectric properties SO MATERIALS & DESIGN LA English DT Article DE Silver nanowire; Thermoplastic polyurethane; Elastomer; Nanocomposites; Dielectric property ID IN-SITU POLYMERIZATION; ARTIFICIAL MUSCLE; COMPOSITES; PERFORMANCE; NETWORK; ACTUATORS; NANOWIRES; FILM; NANOPARTICLES; FABRICATION AB Films of polyvinylpyrrolidone (PVP)-stabilized silver nanowire (AgNW)/thermoplastic polyurethane (TPU) elastomer nanocomposites were fabricated and characterized. With increasing loading levels of AgNW, the transparency of the nanocomposite films was reduced, but their crystallization temperatures increased, suggesting that AgNW could serve as crystallization nucleating agents. The addition of AgNW also enhanced both the Young's moduli and storage moduli of the nanocomposite films, but caused a reduction in their strain-at-break (from 536% to 304% with 1.5 vol.% AgNW) and ultimate strength (from 12.7 to 9.8 MPa with 1.5 vol.% AgNW). The specific toughness was the highest for nanocomposites with AgNW loading levels of 0.03 vol.% and 0.05 vol.%. In addition, the dielectric constant of the nanocomposite films with 1.5 vol.% AgNW was 9 times higher than that of pure TPU at 1 kHz, while the dielectric loss of all nanocomposite films studied was less than 0.2. Thus, AgNW/TPU elastomer nanocomposites with varying mechanical, dielectric, and thermal properties can be engineered by adding a small amount of AgNW. These nanocomposites can potentially be used for a wide range of applications including dielectric materials. Published by Elsevier Ltd. C1 [Mi, Hao-Yang] S China Univ Technol, Natl Engn Res Ctr Novel Equipment Polymer Proc, Guangzhou 510640, Guangdong, Peoples R China. [Mi, Hao-Yang; Turng, Lih-Sheng; Gong, Shaoqin] Univ Wisconsin, Wisconsin Inst Discovery, Madison, WI 53715 USA. [Mi, Hao-Yang; Turng, Lih-Sheng] Univ Wisconsin, Dept Mech Engn, Madison, WI 53706 USA. [Li, Zheng; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Gong, Shaoqin] Univ Wisconsin, Dept Biomed Engn, Madison, WI 53706 USA. RP Gong, SQ (reprint author), Univ Wisconsin, Wisconsin Inst Discovery, 330 North Orchard St, Madison, WI 53715 USA. EM sgong@engr.wisc.edu RI Sun, Yugang /A-3683-2010; Li, Zheng/L-1355-2016 OI Sun, Yugang /0000-0001-6351-6977; Li, Zheng/0000-0001-5281-8101 FU Wisconsin Institutes for Discovery at the University of Wisconsin-Madison; China Scholarship Council; U.S. Department of Energy; Office of Science; Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors would like to acknowledge the helpful suggestions provided by Dr. Srikanth Pilla and financial support from the Wisconsin Institutes for Discovery at the University of Wisconsin-Madison and the China Scholarship Council. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, the Office of Science, and the Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. NR 45 TC 19 Z9 19 U1 13 U2 150 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0261-3069 EI 1873-4197 J9 MATER DESIGN JI Mater. Des. PD APR PY 2014 VL 56 BP 398 EP 404 DI 10.1016/j.matdes.2013.11.029 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA AB3WO UT WOS:000331721100052 ER PT J AU Bay, TV Jackson, M Paulsen, C Baines, C Amato, A Orvis, T Aronson, MC Huang, YK de Visser, A AF Bay, T. V. Jackson, M. Paulsen, C. Baines, C. Amato, A. Orvis, T. Aronson, M. C. Huang, Y. K. de Visser, A. TI Low field magnetic response of the non-centrosymmetric superconductor YPtBi SO SOLID STATE COMMUNICATIONS LA English DT Article DE Superconductors; Muon spin relaxation; Lower critical field; Magnetic properties ID TOPOLOGICAL INSULATORS; SPIN AB The low-field magnetic response of the non-centrosymmetric superconductor YPtBi (T-c = 0.77 K) is investigated. Ac-susceptibility and dc-magnetization measurements provide solid evidence for bulk superconductivity with a volume fraction of similar to 70%. The lower critical field is surprisingly small: B-c1 = 0.008 mT (T -> 0). Muon spin rotation experiments in a transverse magnetic field of 0.01 T show a weak increase of the Gaussian damping rate sigma(pi) below T-c, which yields a London penetration depth lambda = 1.6 +/- 0.2 mu m. The zero-field Kubo-Toyabe relaxation rate sigma(KT) equals 0.129 +/- 0.004 mu s(-1) and does not show a significant change below T-c, This puts an upper bound of 0.04 rnT on the spontaneous magnetic field associated with a possible odd -parity component in the superconducting order parameter. (C) 2013 Elsevier Ltd. All rights reserved C1 [Bay, T. V.; Huang, Y. K.; de Visser, A.] Univ Amsterdam, Van der Waals Zeeman Inst, NL-1098 XH Amsterdam, Netherlands. [Jackson, M.; Paulsen, C.] Inst Neel, F-38042 Grenoble 9, France. [Jackson, M.; Paulsen, C.] Univ Grenoble 1, CNRS, F-38042 Grenoble, France. [Baines, C.; Amato, A.] Paul Scherrer Inst, Lab Muon Spin Spect, CH-5232 Villigen, Switzerland. [Orvis, T.; Aronson, M. C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Aronson, M. C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP de Visser, A (reprint author), Univ Amsterdam, Van der Waals Zeeman Inst, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands. EM a.devisser@uva.nl RI Jackson, Martin/N-2481-2013; Amato, Alex/H-7674-2013 OI Jackson, Martin/0000-0001-7862-3476; Amato, Alex/0000-0001-9963-7498 FU European Commission [283883]; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH1886] FX This work is carried out in the research programme on Topological Insulators of the Foundation for Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO). Part of the experiments was carried out at the Swiss Muon Source S mu S (PSI, Villigen, Switzerland) with support by the European Commission under the 7th Framework Programme through the Research Infrastructures action of the Capacities Programme, NMI3-II Grant no. 283883. Work at Brookhaven National Laboratory was carried out under the auspices of the US Department of Energy, Office of Basic Energy Sciences under Contract no, DE-AC02-98CH1886, NR 26 TC 13 Z9 13 U1 5 U2 36 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 APR PY 2014 VL 183 BP 13 EP 17 DI 10.1016/j.ssc.2013.12.010 PG 5 WC Physics, Condensed Matter SC Physics GA AC3DU UT WOS:000332396000003 ER PT J AU Humphrey, E Phatak, C Petford-Long, AK De Graef, M AF Humphrey, E. Phatak, C. Petford-Long, A. K. De Graef, M. TI Separation of electrostatic and magnetic phase shifts using a modified transport-of-intensity equation SO ULTRAMICROSCOPY LA English DT Article DE Lorentz transmission electron microscopy; Phase reconstruction; Transport of intensity equation ID LORENTZ MICROSCOPY; RETRIEVAL AB We introduce a new approach for the separation of the electrostatic and magnetic components of the electron wave phase shift, based on the transport-of-intensity equation (TIE) formalism. We derive two separate TIE-like equations, one for each of the phase shift components. We use experimental results On FeCoB and Permalloy patterned islands to illustrate how the magnetic and electrostatic longitudinal derivatives can be computed. The main advantage of this new approach is the fact that the differences in the power spectra of the two phase components (electrostatic phase shifts often have significant power in the higher frequencies) can be accommodated by the selection of two different Tikhonov regularization parameters for the two phase reconstructions. The extra computational demands or the method are more than compensated by the improved phase reconstruction results. (C) 2014 Elsevier B.V. All rights reserved C1 [Humphrey, E.; De Graef, M.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Phatak, C.; Petford-Long, A. K.] Argonne Natl Lab, Argonne, IL 60439 USA. RP De Graef, M (reprint author), Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. RI Phatak, Charudatta/A-1874-2010; DeGraef, Marc/G-5827-2010; Petford-Long, Amanda/P-6026-2014 OI DeGraef, Marc/0000-0002-4721-6226; Petford-Long, Amanda/0000-0002-3154-8090 FU US Department of Energy, Basic Energy Sciences [DE-FG02-01EK45893]; U.S. Department of Energy (DOE), Office of Science, Materials Sciences and Engineering Division; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-ACO2-06CH11357] FX The CMU portion of this research was supported by the US Department of Energy, Basic Energy Sciences under Grant # DE-FG02-01EK45893. Part of this work was completed while MDG was on a sabbatical stay in the Center for Electron Microscopy and Analysis (CEMAS) at the Ohio State University. Work by CP and AKPL was supported by the U.S. Department of Energy (DOE), Office of Science, Materials Sciences and Engineering Division. 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-ACO2-06CH11357 NR 21 TC 7 Z9 9 U1 1 U2 24 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 APR PY 2014 VL 139 BP 5 EP 12 DI 10.1016/j.ultramic.2014.01.005 PG 8 WC Microscopy SC Microscopy GA AC4ZZ UT WOS:000332531400002 PM 24513573 ER PT J AU Xin, HLL Dwyer, C Muller, DA AF Xin, Huolin L. Dwyer, Christian Muller, David A. TI Is there a Stobbs factor in atomic-resolution STEM-EELS mapping? SO ULTRAMICROSCOPY LA English DT Article DE Atomic resolution STEM-EELS; Stobbs factor; Inelastic scattering; Double channeling; Delocalization ID ELECTRON-DIFFRACTION; CROSS-SECTIONS; SCATTERING; MICROSCOPY; IONIZATION; IMAGES; SHELL AB Recent work has convincingly argued that the Stobbs factor disagreement in contrast between simulated and experimental atomic-resolution images in ADF-STEM imaging can be accounted for by including the incoherent source size in simulation. However, less progress has been made for atomic-resolution STEM-EELS mapping. Here we have performed carefully calibrated EELS mapping experiments of a [101] DyScO3 single-crystal specimen, allowing atomic-resolution EELS signals to be extracted on an absolute scale for a large range of thicknesses. By simultaneously recording the elastic signal, also on an absolute scale, and using it to characterize the source size, sample thickness and inelastic mean free path, we eliminate all free parameters in the simulation of the core-loss signals. Coupled with double channeling simulations that incorporate both core-loss inelastic scattering and dynamical elastic and thermal diffuse scattering, the present work enables a close scrutiny of the scattering physics in the inelastic channel. We found that by taking into account the effective source distribution determined from the ADF images, both the absolute signal and the contrast in atomic resolution Dy-M-5 maps can be closely reproduced by the double channeling simulations. At lower energy losses, discrepancies are present in the Sc-L-2,L-3 and Dy-N-4,N-5 maps due to the energy dependent spatial distribution of the background spectrum, core hole effects, and omitted complexities in the final states. This work has demonstrated the possibility of using quantitative STEM EELS for element specific column-by-column atom counting at higher energy losses and for atomic like final states, and has elucidated several possible improvements for future theoretical work. (C) 2014 Elsevier B.V. All rights reserved. C1 [Xin, Huolin L.] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Dwyer, Christian] Monash Univ, Monash Ctr Electron Microscopy, ARC Ctr Excellence Design Light Met, Clayton, Vic 3800, Australia. [Dwyer, Christian] Monash Univ, Dept Mat Engn, Clayton, Vic 3800, Australia. [Muller, David A.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Muller, David A.] Cornell Univ, Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. RP Xin, HLL (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM hxin@bnl.gov; c.dwyer@fz-juelich.de; dm24@cornell.edu RI Xin, Huolin/E-2747-2010; OI Xin, Huolin/0000-0002-6521-868X; Muller, David/0000-0003-4129-0473 FU Energy Materials Center at Cornell, an Energy Frontier Research Center [DE-SC0001086]; NSF MRSEC [DMR-1120296]; Australian Research Council [DP110104734] FX Funded by the Energy Materials Center at Cornell, an Energy Frontier Research Center (DOE #DE-SC0001086). This work made use of the Cornell Center for Materials Research Shared Facilities which are supported through the NSF MRSEC program (DMR-1120296). C.D. would like to thank Philip Chan, eSolutions-Research Support Services and the Monash e-Research Centre for the use of Monash Central HPC cluster, and acknowledges financial support from the Australian Research Council (DP110104734), Author contributions: H.L.X. conceived, designed, and performed the quantitative experiments, carried out the elastic scattering simulations and analyzed the experimental data. CD. wrote the code for and performed the inelastic scattering simulations. C.D. and H.L.X. wrote the manuscript. All authors contributed to the discussions and know the implications of the results. Correspondence and requests for materials should be addressed to H.L.X. NR 37 TC 14 Z9 14 U1 2 U2 32 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 APR PY 2014 VL 139 BP 38 EP 46 DI 10.1016/j.ultramic.2014.01.006 PG 9 WC Microscopy SC Microscopy GA AC4ZZ UT WOS:000332531400006 PM 24561427 ER PT J AU Kostylev, M Alahuhta, M Chen, M Brunecky, R Himmel, ME Lunin, VV Brady, J Wilson, DB AF Kostylev, Maxim Alahuhta, Markus Chen, Mo Brunecky, Roman Himmel, Michael E. Lunin, Vladimir V. Brady, John Wilson, David B. TI Cel48A From Thermobifida fusca: Structure and Site Directed Mutagenesis of Key Residues SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE Cel48A; Thermobifida fusca; cellulose; cellulase ID TRICHODERMA-REESEI CELLOBIOHYDROLASE; CLOSTRIDIUM-THERMOCELLUM CELLULOSOME; QUANTITATIVE PROTEOMIC ANALYSIS; CRYSTALLINE CELLULOSE; FAMILY 48; AROMATIC RESIDUES; BINDING DOMAIN; KINETIC-MODEL; CELLULASES; HYDROLYSIS AB Lignocellulosic biomass is a potential source of sustainable transportation fuels, but efficient enzymatic saccharification of cellulose is a key challenge in its utilization. Cellulases from the glycoside hydrolase (GH) family 48 constitute an important component of bacterial biomass degrading systems and structures of three enzymes from this family have been previously published. We report a new crystal structure of TfCel48A, a reducing end directed exocellulase from Thermobifida fusca, which shows that this enzyme shares important structural features with the other members of the GH48 family. The active site tunnel entrance of the known GH48 exocellulases is enriched in aromatic residues, which are known to interact well with anhydroglucose units of cellulose. We carried out site-directed mutagenesis studies of these aromatic residues (Y97, F195, Y213, and W313) along with two non-aromatic residues (N212 and S311) also located around the tunnel entrance and a W315 residue inside the active site tunnel. Only the aromatic residues located around the tunnel entrance appear to be important for the ability of TfCel48A to access individual cellulose chains on bacterial cellulose (BC), a crystalline substrate. Both Trp residues were found to be important for the processivity of TfCel48A on BC and phosphoric acid swollen cellulose (PASC), but only W313 appears to play a role in the ability of the enzyme to access individual cellulose chains in BC. When acting on BC, reduced processivity was found to correlate with reduced enzyme activity. The reverse, however, is true when PASC is the substrate. Presumably, higher density of available cellulose chain ends and the amorphous nature of PASC explain the increased initial activity of mutants with lower processivity. Biotechnol. Bioeng. 2014;111: 664-673. (c) 2013 Wiley Periodicals, Inc. C1 [Kostylev, Maxim; Wilson, David B.] Cornell Univ, Dept Mol Biol & Genet, Ithaca, NY 14853 USA. [Alahuhta, Markus; Brunecky, Roman; Himmel, Michael E.; Lunin, Vladimir V.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. [Chen, Mo; Brady, John] Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. RP Kostylev, M (reprint author), Cornell Univ, Dept Mol Biol & Genet, 458 Biotechnol Bldg, Ithaca, NY 14853 USA. EM mk377@cornell.edu RI Kostylev, Mikhail/H-5214-2014 NR 44 TC 14 Z9 14 U1 0 U2 35 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3592 EI 1097-0290 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD APR PY 2014 VL 111 IS 4 BP 664 EP 673 DI 10.1002/bit.25139 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AB7YY UT WOS:000332008500003 PM 24264519 ER PT J AU Peoples, BK McManamay, RA Orth, DJ Frimpong, EA AF Peoples, Brandon K. McManamay, Ryan A. Orth, Donald J. Frimpong, Emmanuel A. TI Nesting habitat use by river chubs in a hydrologically variable Appalachian tailwater SO ECOLOGY OF FRESHWATER FISH LA English DT Article DE impoundment; hydrology; Nocomis; spawning habitat; ecosystem engineer; keystone species ID FRESH-WATER FISH; ECOLOGICAL CONSEQUENCES; NOCOMIS-LEPTOCEPHALUS; NOTROPIS-LUTIPINNIS; ECOSYSTEM ENGINEERS; REGULARIZED SPLINE; YELLOWFIN SHINERS; ROUGH SHINER; STREAM; RESTORATION AB As hydrologic alteration continues to affect aquatic biodiversity, knowledge of the spawning requirements of fishes, especially 'keystone' or 'foundation' species, is critical for conservation and management. The objectives of this study were to quantify the spawning micro- and mesohabitat use of river chub Nocomis micropogon, a gravel mound nesting minnow, in a hydrologically regulated river in North Carolina, USA. At the microhabitat scale, substrate sizes on nests were compared with pebble counts in 1-m(2) adjacent quadrats. Average depths and current velocities at nests were compared with measurements from paired transects. At the mesohabitat scale, generalised linear mixed models (GLMMs) were used to identify the importance of average bed slope, average depth and percentages of rock outcrops (a measure of flow heterogeneity and velocity shelters) for predicting nest presence and abundance. To relate nesting activities to hydrologic alteration from dam operation, nest dimensions were measured before and after a scheduled discharge event approximately six times that of base flow. Additionally, linear regression was used to predict changes in the use of flow refugia and overhead cover with increased fluvial distance from the dam. Microhabitats in which nests were placed had, on average, slower current velocities and shallower depths. Gravel diameters of nests were significantly smaller than substrate particles adjacent to nests. GLMMs revealed that mesohabitats with nests were shallower, had more moderate slopes and greater proportions of rock outcrops than mesohabitats without nests. The scheduled discharge event significantly flattened nests. Near the dam, nests were built in close proximity (<= 2m) to velocity shelters; this relationship diminished with distance from the dam. River chubs are spawning habitat specialists. Because multiple species rely on river chub nests for reproduction and food, the needs of this species should be considered when managing instream flows. C1 [Peoples, Brandon K.; Orth, Donald J.; Frimpong, Emmanuel A.] Virginia Polytech Inst & State Univ, Dept Fish & Wildlife Conservat, Blacksburg, VA 24061 USA. [McManamay, Ryan A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Peoples, BK (reprint author), Virginia Polytech Inst & State Univ, Dept Fish & Wildlife Conservat, Blacksburg, VA 24061 USA. EM bpeoples@vt.edu OI Orth, Donald/0000-0002-9236-0147 FU Cheoah Fund Board; U.S. Forest Service; Edna Bailey Sussman Foundation; Sigma Xi Scientific Research Society; Cheoah Fund Board, Alcoa Power; Cheoah Fund Board, U.S. Forest Service; Cheoah Fund Board, U.S. Fish and Wildlife Service; Cheoah Fund Board, North Carolina Wildlife Resources Commission; Cheoah Fund Board, North Carolina Department of Environment and Natural Resources, Division of Water Resources FX This work was funded by the Cheoah Fund Board, a multiagency collaboration between Alcoa Power, U.S. Forest Service, U.S. Fish and Wildlife Service, North Carolina Wildlife Resources Commission, and the North Carolina Department of Environment and Natural Resources, Division of Water Resources, along with grants provided by the U.S. Forest Service. The research was also supported by the Edna Bailey Sussman Foundation and a grant-in-aid of research from Sigma Xi Scientific Research Society. Mesohabitat delineations were taken from joint work by ENTRIX, Inc. and Forest One, Inc., all produced under contract for the U.S. Forest Service. We would also like to sincerely thank Toby Coyner, Tyler Young and David Belkoski for their assistance in the field. NR 69 TC 8 Z9 8 U1 2 U2 29 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0906-6691 EI 1600-0633 J9 ECOL FRESHW FISH JI Ecol. Freshw. Fish PD APR PY 2014 VL 23 IS 2 SI SI BP 283 EP 293 DI 10.1111/eff.12078 PG 11 WC Fisheries; Marine & Freshwater Biology SC Fisheries; Marine & Freshwater Biology GA AC0TV UT WOS:000332209100017 ER PT J AU Hu, XH Choi, KS Sun, X Golovashchenko, SF AF Hu, X. H. Choi, K. S. Sun, X. Golovashchenko, S. F. TI Edge Fracture Prediction of Traditional and Advanced Trimming Processes for AA6111-T4 Sheets SO JOURNAL OF MANUFACTURING SCIENCE AND ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE aluminum alloys; finite element method; trimming; formability; edge damage; adaptive contact ID RECTANGULAR CROSS-SECTION; ALUMINUM AUTOBODY SHEET; FLOW-STRESS; PRESSURE; SIMULATION; SPECIMENS; FAILURE; STRAINS; SURFACE; CURVES AB This work examines the traditional and advanced trimming of AA6111-T4 aluminum sheets with finite element simulations. The Rice-Tracy damage model is used for the simulation with damage parameters estimated from experimental observation of grain aspect ratio near the fracture surface of trimmed parts. Fine meshes at the shearing zone, adaptive meshing, and adaptive contact techniques are used to accurately capture the contact interactions between the sharp corner of the trimming tools and the blank to be trimmed. To the knowledge of the authors, these are the first trimming simulations that can predict the effects of shearing clearance on burr heights with quantitative accuracy for AA6111-T4 aluminum sheets. In addition, the models have also accurately reproduced the crack initiation site as well as burr and sliver formation mechanisms observed experimentally. C1 [Hu, X. H.; Choi, K. S.; Sun, X.] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99354 USA. [Golovashchenko, S. F.] Ford Res & Adv Engn Sci Res Lab, Manulfacturing & Processes Dept, Dearborn, MI 48124 USA. RP Hu, XH (reprint author), Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99354 USA. EM Xiaohua.hu@pnnl.gov RI Hu, Xiaohua/J-6519-2012 OI Hu, Xiaohua/0000-0002-7735-5091 FU U.S. Department of Energy (DOE) [DE-AC05-76RL01830]; DOE's Office of FreedomCAR and Vehicle Technologies under the Automotive Lightweighting Materials Program FX Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy (DOE) under Contract No. DE-AC05-76RL01830. This work was partially funded by the DOE's Office of FreedomCAR and Vehicle Technologies under the Automotive Lightweighting Materials Program managed by Mr. William Joost. NR 48 TC 2 Z9 2 U1 0 U2 7 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 1087-1357 EI 1528-8935 J9 J MANUF SCI E-T ASME JI J. Manuf. Sci. Eng.-Trans. ASME PD APR PY 2014 VL 136 IS 2 AR 021016 DI 10.1115/1.4026273 PG 11 WC Engineering, Manufacturing; Engineering, Mechanical SC Engineering GA AB9PM UT WOS:000332127400016 ER PT J AU Vitol, EA Friedman, G Gogotsi, Y AF Vitol, Elina A. Friedman, Gary Gogotsi, Yury TI Surface-Enhanced Raman Spectroscopy-Active Substrates: Adapting the Shape of Plasmonic Nanoparticles for Different Biological Applications SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE SERS; Gold Nanoparticles; Synthesis; Cells; Bacteria; Sensors ID SCATTERING SERS; GOLD NANOPARTICLES; BACTERIA; MOLECULE; NANOTRIANGLES; NANOSPHERES; NANOPRISMS; MONOLAYERS; IONS; TOOL AB We discuss the relationship between the shape of plasmonic nanoparticles and the biological surface-enhanced Raman spectroscopy (SERS) applications which they can enable. As a step forward in developing SERS-active substrates adapted to a particular application, we demonstrate that a modification of the widely used protocol for the sodium citrate mediated reduction of chloroauric acid, which is typically employed only for obtaining spherical gold nanoparticles, can yield flat polygonal nanoparticles at room temperature and a decreased amount of the reducing agent. The significant advantage of the described approach is that it allows for synthesis of nanoparticles with different geometries using a well-established synthesis protocol without the need for any additional chemicals or special synthesis apparatus, By contrasting spherical and anisotropically shaped nanoparticles, we demonstrate that multifaceted nanoparticles with sharp edges are better suitable for SEAS analysis of low concentration analytes requiring strong SEAS enhancement. On the other hand, gold nanoparticles with isotropic shapes, while giving a smaller enhancement, can provide a more reproducible SEAS signal. This is important for analytical applications of complex biological systems where large SEAS enhancement may not always be required, whereas data reproducibility and minimal false positive rate are imperative. Using a SEAS-active substrate comprising isotropically shaped gold nanoparticles, we demonstrate the differences between Gram-negative (E. colt) and Gram-positive (S. aureus) bacteria, attributable to the outer membrane and peptidoglycan layer, with the level of detail which has not been previously reported with optical spectroscopic techniques. C1 [Vitol, Elina A.; Gogotsi, Yury] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Vitol, Elina A.; Friedman, Gary; Gogotsi, Yury] Drexel Univ, AJ Drexel Nanotechnol Inst, Philadelphia, PA 19104 USA. [Friedman, Gary] Drexel Univ, Dept Elect & Comp Engn, Philadelphia, PA 19104 USA. RP Vitol, EA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Gogotsi, Yury/B-2167-2008 OI Gogotsi, Yury/0000-0001-9423-4032 FU W. M. Keck Foundation FX This work was supported by a W. M. Keck Foundation grant to establish the W. M. Keck Institute for Alto Nanotube-Based Probes at Drexel University. Raman spectroscopy analysis and scanning electron microscopy were conducted at the Centralized Research Facilities (CRF) at Drexel University. The authors are grateful to Mr. Nachiket Vaze for providing the bacterial culture. NR 35 TC 3 Z9 3 U1 2 U2 56 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 APR PY 2014 VL 14 IS 4 BP 3046 EP 3051 DI 10.1166/jnn.2014.8610 PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AC1AM UT WOS:000332226600053 PM 24734732 ER PT J AU Henderson, IM Adams, PG Montano, GA Paxton, WF AF Henderson, Ian M. Adams, Peter G. Montano, Gabriel A. Paxton, Walter F. TI Ionic Effects on the Behavior of Thermoresponsive PEO-PNIPAAm Block Copolymers SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE aggregate; copolymers; ethylene oxide; NIPAAm; salt; thermohysteresis; thermoresponsive ID PHASE-TRANSITION; POLY(ETHYLENE OXIDE)-B-POLY(N-ISOPROPYLACRYLAMIDE); N-ISOPROPYLACRYLAMIDE; AQUEOUS-SOLUTIONS; THERMOINDUCED AGGREGATION; RADICAL POLYMERIZATION; RAFT POLYMERIZATION; HOFMEISTER SERIES; MOLECULAR-WEIGHT; DRUG-DELIVERY AB The temperature-dependent aggregation and recovery of the copolymer poly(ethylene oxide)(22)-b-poly(N-isopropylacrylamide)(29) with a C-12 end-cap in aqueous solutions of salts and acids are investigated. Salt solutions affected the critical aggregation temperature of the copolymer in a manner predictable according to the Hofmeister series, with the kosmotropic adipic ion lowering the critical aggregation temperature and the chaotropic iodide raising it. Also, both salts and acids increased the size of copolymer aggregates formed with heating, due to the electrostatic shielding of aggregated structures provided by the electrolytes. Additionally, the presence of ionic additives caused a thermohysteretic increase in the size of copolymer aggregates with temperature cycling. The transitions of polymer structure with increasing temperature were surprisingly sharp with the C-12 end-cap present, and particularly broad in samples in which the end cap had been cleaved. This observation suggested that the hydrophobic end group was responsible for imparting some degree of order to the polymer at low temperatures, which allowed for rapid reconfiguration with increasing temperature. Finally, in addition to the transitions expected from the least critical solution temperature behavior of the polymer blocks, we have observed an unexpected additional transition which we attribute to the contraction of the poly(ethylene oxide) chains of the copolymer aggregates at higher temperatures. This work illustrates the importance of considering the environment and composition of thermoresponsive block copolymers in certain applications, particularly in solutions with even modest electrolyte concentrations (1-10 mM), as it can have a profound effect on transition temperatures and morphology. (c) 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014, 52, 507-516 C1 [Henderson, Ian M.; Paxton, Walter F.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Adams, Peter G.; Montano, Gabriel A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87544 USA. RP Paxton, WF (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM wfpaxto@sandia.gov RI Adams, Peter/B-6539-2013 OI Adams, Peter/0000-0002-3940-8770 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was performed at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 37 TC 8 Z9 8 U1 3 U2 49 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-6266 EI 1099-0488 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD APR 1 PY 2014 VL 52 IS 7 BP 507 EP 516 DI 10.1002/polb.23444 PG 10 WC Polymer Science SC Polymer Science GA AB4YX UT WOS:000331797100003 ER PT J AU Server, WL Hardin, TC Hall, JB Nanstad, RK AF Server, William L. Hardin, Timothy C. Hall, J. Brian Nanstad, Randy K. TI US High Fluence Power Reactor Surveillance Data-Past and Future SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article DE atom probe; radiation embrittlement; high fluence; extended operating life reactor pressure vessel surveillance ID RPV STEELS AB Enhanced radiation embrittlement at high fluence, indicative of extended operating life beyond 60 years for current operating pressurized water reactor (PWR) vessels, has been identified as a potential limiting degradation mechanism. Currently, there are limited U. S. power reactor surveillance data available at fluences greater than 4 x 10(19) n/cm(2) (E > 1 MeV) for comparison with existing embrittlement prediction models. Additional data will be required to support extended operations to 80+ years, where some plants are projected to have peak vessel fluences approaching 1 x 10(20) n/cm(2). A number of programs are designed to contribute to the high fluence surveillance data to support extended operating life. The U.S programs include the Coordinated PWR Reactor Vessel Surveillance Program (CRVSP), the PWR Supplemental Surveillance Program (PSSP), and the Light Water Reactor Sustainability (LWRS) Program. The LWRS Program involves generation of high fluence test reactor data on many different reactor pressure vessel steels and model alloys, including some of the same PWR vessel materials irradiated to higher fluences in conventional power reactor surveillance programs. This paper surveys the existing high fluence data and the data projected to come from the above listed programs to show when such data will become available. The data will be used to validate or revise embrittlement trend correlations applicable for the high fluence regime. Mechanical property data are being developed, and fine-scale microstructure data are being produced using state-of-the-art methods. C1 [Server, William L.] ATI Consulting, Black Mt, NC 28711 USA. [Hardin, Timothy C.] Elect Power Res Inst, Palo Alto, CA 94304 USA. [Hall, J. Brian] Westinghouse Elect Co LLC, Pittsburgh, PA 15235 USA. [Nanstad, Randy K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Server, WL (reprint author), ATI Consulting, 6 Laurel Branch Dr, Black Mt, NC 28711 USA. FU DOE-NE NEUP FX The UCSB ATR-2 experiment is funded by a DOE-NE NEUP Grant to Professor G. Robert Odette of UCSB. NR 21 TC 0 Z9 0 U1 1 U2 8 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-9930 EI 1528-8978 J9 J PRESS VESS-T ASME JI J. Press. Vessel Technol.-Trans. ASME PD APR PY 2014 VL 136 IS 2 AR 021603 DI 10.1115/1.4026149 PG 5 WC Engineering, Mechanical SC Engineering GA AC0ZI UT WOS:000332223600016 ER PT J AU Lacroix, B Gizatullina, DI Babst, BA Gifford, AN Citovsky, V AF Lacroix, Benoit Gizatullina, Diana I. Babst, Benjamin A. Gifford, Andrew N. Citovsky, Vitaly TI Agrobacterium T-DNA-encoded protein Atu6002 interferes with the host auxin response SO MOLECULAR PLANT PATHOLOGY LA English DT Article ID PLANT TRANSFORMATION; GENE-EXPRESSION; TOBACCO; TRANSCRIPTION; PROTOPLASTS; TRANSPORT; PLASMIDS; VECTORS; TISSUES; SYSTEM AB Several genes in the Agrobacterium tumefaciens transferred (T)-DNA encode proteins that are involved in developmental alterations, leading to the formation of tumours in infected plants. We investigated the role of the protein encoded by the Atu6002 gene, the function of which is completely unknown. Atu6002 expression occurs in Agrobacterium-induced tumours, and is also activated on activation of plant cell division by growth hormones. Within the expressing plant cells, the Atu6002 protein is targeted to the plasma membrane. Interestingly, constitutive ectopic expression of Atu6002 in transgenic tobacco plants leads to a severe developmental phenotype characterized by stunted growth, shorter internodes, lanceolate leaves, increased branching and modified flower morphology. These Atu6002-expressing plants also display impaired response to auxin. However, auxin cellular uptake and polar transport are not significantly inhibited in these plants, suggesting that Atu6002 interferes with auxin perception or signalling pathways. C1 [Lacroix, Benoit; Gizatullina, Diana I.; Citovsky, Vitaly] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. [Babst, Benjamin A.; Gifford, Andrew N.] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. RP Lacroix, B (reprint author), SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. EM benoit.lacroix@stonybrook.edu OI Babst, Benjamin/0000-0001-5657-0633 FU National Institutes of Health (NIH); National Science Foundation (NSF); National Institute of Food and Agriculture/US Department of Agriculture (NIFA/USDA); Binational Agricultural Research and Development Fund (BARD); Binational Science Foundation (BSF); US Department of Energy, Office of Environmental Research [DE-AC02-98CH10886]; Goldhaber Distinguished Fellowship FX The work in our laboratories is supported by grants from the National Institutes of Health (NIH), National Science Foundation (NSF), National Institute of Food and Agriculture/US Department of Agriculture (NIFA/USDA), Binational Agricultural Research and Development Fund (BARD) and Binational Science Foundation (BSF) to VC, and from the US Department of Energy, Office of Environmental Research (under contract DE-AC02-98CH10886) and a Goldhaber Distinguished Fellowship to BAB. NR 31 TC 2 Z9 2 U1 0 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1464-6722 EI 1364-3703 J9 MOL PLANT PATHOL JI Mol. Plant Pathol. PD APR PY 2014 VL 15 IS 3 BP 275 EP 283 DI 10.1111/mpp.12088 PG 9 WC Plant Sciences SC Plant Sciences GA AC0WX UT WOS:000332217300006 PM 24128370 ER PT J AU Yang, ZQ Wang, TP Leung, R Hibbard, K Janetos, T Kraucunas, I Rice, J Preston, B Wilbanks, T AF Yang, Zhaoqing Wang, Taiping Leung, Ruby Hibbard, Kathy Janetos, Tony Kraucunas, Ian Rice, Jennie Preston, Benjamin Wilbanks, Tom TI A modeling study of coastal inundation induced by storm surge, sea-level rise, and subsidence in the Gulf of Mexico SO NATURAL HAZARDS LA English DT Article DE Coastal inundation; Storm surge; Modeling; Subsidence; Sea-level rise; Gulf of Mexico ID OCEAN MODEL; BAY; WIND; HURRICANES; PREDICTION; ESTUARIES; CHANNEL; SYSTEM AB The northern coasts of the Gulf of Mexico (GoM) are highly vulnerable to the direct threats of climate change, such as hurricane-induced storm surge, and such risks are exacerbated by land subsidence and global sea-level rise. This paper presents an application of a coastal storm surge model to study the coastal inundation process induced by tide and storm surge, and its response to the effects of land subsidence and sea-level rise in the northern Gulf coast. The unstructured-grid finite-volume coastal ocean model was used to simulate tides and hurricane-induced storm surges in the GoM. Simulated distributions of co-amplitude and co-phase lines for semi-diurnal and diurnal tides are in good agreement with previous modeling studies. The storm surges induced by four historical hurricanes (Rita, Katrina, Ivan, and Dolly) were simulated and compared to observed water levels at National Oceanic and Atmospheric Administration tide stations. Effects of coastal subsidence and future global sea-level rise on coastal inundation in the Louisiana coast were evaluated using a "change of inundation depth" parameter through sensitivity simulations that were based on a projected future subsidence scenario and 1-m global sea-level rise by the end of the century. Model results suggested that hurricane-induced storm surge height and coastal inundation could be exacerbated by future global sea-level rise and subsidence, and that responses of storm surge and coastal inundation to the effects of sea-level rise and subsidence are highly nonlinear and vary on temporal and spatial scales. C1 [Yang, Zhaoqing; Wang, Taiping] Pacific NW Natl Lab, Coastal Sci Div, Seattle, WA 98109 USA. [Leung, Ruby; Hibbard, Kathy; Kraucunas, Ian; Rice, Jennie] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA. [Janetos, Tony] Boston Univ, Frederick S Pardee Ctr, Study Longer Range Future, Boston, MA 02215 USA. [Preston, Benjamin; Wilbanks, Tom] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yang, ZQ (reprint author), Pacific NW Natl Lab, Coastal Sci Div, 1100 Dexter Ave North,Suite 400, Seattle, WA 98109 USA. EM zhaoqing.yang@pnnl.gov RI Preston, Benjamin/B-9001-2012 OI Preston, Benjamin/0000-0002-7966-2386 FU Office of Biological and Environmental Research, Office of Science, US Department of Energy [DE-AC05-76RL01830] FX This study was funded by the Office of Biological and Environmental Research, Office of Science, US Department of Energy, under contract DE-AC05-76RL01830. The authors thank Dr. Changsheng Chen of the University of Massachusetts at Dartmouth and Dr. Virginia Burkett of the US Geological Survey. The authors would also like to thank the Coastal Protection and Restoration Authority of Louisiana for providing the subsidence data used in this study. NR 53 TC 10 Z9 10 U1 2 U2 46 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0921-030X EI 1573-0840 J9 NAT HAZARDS JI Nat. Hazards PD APR PY 2014 VL 71 IS 3 BP 1771 EP 1794 DI 10.1007/s11069-013-0974-6 PG 24 WC Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences; Water Resources SC Geology; Meteorology & Atmospheric Sciences; Water Resources GA AB8FJ UT WOS:000332025200027 ER PT J AU Musculus, MPB Miles, PC Pickett, LM AF Musculus, Mark P. B. Miles, Paul C. Pickett, Lyle M. TI Conceptual models for partially premixed low-temperature diesel combustion (vol 39, pg 246, 2013) SO PROGRESS IN ENERGY AND COMBUSTION SCIENCE LA English DT Correction C1 [Musculus, Mark P. B.; Miles, Paul C.; Pickett, Lyle M.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Musculus, MPB (reprint author), Sandia Natl Labs, Engine Combust Dept, POB 969, Livermore, CA 94551 USA. EM mpmuscu@sandia.gov NR 1 TC 2 Z9 2 U1 5 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1285 J9 PROG ENERG COMBUST JI Prog. Energy Combust. Sci. PD APR PY 2014 VL 41 BP 94 EP 94 DI 10.1016/j.pecs.2013.12.001 PG 1 WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AC3RS UT WOS:000332439500003 ER PT J AU Liu, B Cheng, L Curtiss, L Greeley, J AF Liu, Bin Cheng, Lei Curtiss, Larry Greeley, Jeffrey TI Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces SO SURFACE SCIENCE LA English DT Article DE Furfural hydrogenation; Periodic Density Functional Theory; Van der Waals density functional; Linear scaling relationship; Bronsted-Evans-Polanyi relationship ID GENERALIZED GRADIENT APPROXIMATION; FINDING SADDLE-POINTS; AUGMENTED-WAVE METHOD; SELECTIVE HYDROGENATION; GLYCEROL DECOMPOSITION; REACTION PATHWAYS; BOND SCISSION; C-C; PD(111); ALCOHOL AB The hydrogenation of furfural to furfuryl alcohol on Pd(111), Cu(111) and Pt(111) is studied with both standard Density Functional Theory (DFT)-GGA functionals and with van der Waals-corrected density functionals. VdW-DF functionals, including optPBE, optB88, optB86b, and Grimme's method, are used to optimize the adsorption configurations of furfural, furfuryl alcohol, and related intermediates resulting from hydrogenation of furfural, and the results are compared to corresponding values determined with GGA functionals, including PW91 and PBE. On Pd(111) and Pt(111), the adsorption geometries of the intermediates are not noticeably different between the two classes of funcfionals, while on Cu(111), modest changes are seen in both the perpendicular distance and the orientation of the aromatic ring with respect to the planar surface. In general, the binding energies increase substantially in magnitude as a result of van der Waals contributions on all metals. In contrast, however, dispersion effects on the kinetics of hydrogenation are relatively small. It is found that activation barriers are not significantly affected by the inclusion of dispersion effects, and a Brensted-Evans-Polanyi relationship developed solely from PW91 calculations on Pd(111) is capable of describing corresponding results on Cu(111) and Pt(111), even when the dispersion effects are included. Finally, the reaction energies and barriers derived from the dispersion-corrected and pure GGA calculations are used to plot simple potential energy profiles for furfural hydrogenation to furfulyl alcohol on the three considered metals, and an approximately constant downshift of the energetics due to the dispersion corrections is observed. (C) 2013 Elsevier B.V. All rights reserved. C1 [Liu, Bin] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA. [Cheng, Lei; Curtiss, Larry] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Curtiss, Larry] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Greeley, Jeffrey] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. RP Greeley, J (reprint author), Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. EM jgreeley@purdue.edu RI Liu, Bin/C-1475-2012 FU Institute for Atom-efficient Chemical Transformations (IACT); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Office of Science of the US Department of Energy [DE-AC02-06CH11357]; Kansas State University; EMSL; Northwest National Laboratory; Argonne Laboratory Computing Resource Center (LCRC); National Energy Research Scientific Computing Center (NERSC) FX This work is also supported as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Use of the Center for Nanoscale Materials (CNM) is supported by the Office of Science of the US Department of Energy under contract No. DE-AC02-06CH11357. B.L. acknowledges the financial support from Kansas State University. We also acknowledge grants of computer time from EMSL, a national scientific user facility located at Pacific Northwest National Laboratory, Argonne Laboratory Computing Resource Center (LCRC), and the National Energy Research Scientific Computing Center (NERSC) for providing us with additional computing resources. NR 50 TC 27 Z9 27 U1 10 U2 103 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD APR PY 2014 VL 622 BP 51 EP 59 DI 10.1016/j.susc.2013.12.001 PG 9 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA AC0OP UT WOS:000332194900007 ER PT J AU Jung, M Choi, W Shalf, J Kandemir, MT AF Jung, Myoungsoo Choi, Wonil Shalf, John Kandemir, Mahmut Taylan TI Triple-A: A Non-SSD Based Autonomic All-Flash Array for High Performance Storage Systems SO ACM SIGPLAN NOTICES LA English DT Article DE Solid State Disk; NAND Flash; High Performance Computing; Flash Array Network; Resource Contention; Self Optimizing AB Solid State Disk (SSD) arrays are in a position to (as least partially) replace spinning disk arrays in high performance computing (HPC) systems due to their better performance and lower power consumption. However, these emerging SSD arrays are facing enormous challenges, which are not observed in disk-based arrays. Specif cally, we observe that the performance of SSD arrays can signif cantly degrade due to various array-level resource contentions. In addition, their maintenance costs exponentially increase over time, which renders them diff cult to deploy widely in HPC systems. To address these challenges, we propose Triple-A, a non-SSD based Autonomic All-Flash Array, which is a self-optimizing, from-scratch NAND f ash cluster. Triple-A can detect two different types of resource contentions and autonomically alleviate them by reshaping the physical data-layout on its f ash array network. Our experimental evaluation using both real workloads and a micro-benchmark show that Triple-A can offer a 53% higher sustained throughput and a 80% lower I/O latency than non-autonomic SSD arrays. C1 [Jung, Myoungsoo; Choi, Wonil] Univ Texas Dallas, Dept EE, Comp Architecture & Memory Syst Lab, Richardson, TX 75083 USA. [Kandemir, Mahmut Taylan] Penn State Univ, Dept CSE, Microsyst Design Lab, University Pk, PA 16802 USA. [Shalf, John] Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA USA. RP Jung, M (reprint author), Univ Texas Dallas, Dept EE, Comp Architecture & Memory Syst Lab, Richardson, TX 75083 USA. EM jung@utdallas.edu; wonil.choi@utdallas.edu; jshalf@lbl.gov; kandemir@cse.psu.edu FU University of Texas at Dallas Start-up Grants; NSF grants [1302557, 1017882, 0937949, 0833126]; DOE grant [DE-SC0002156, DESC0002156]; Off ce of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research is supported in part by University of Texas at Dallas Start-up Grants, NSF grants 1302557, 1017882, 0937949, and 0833126 as well as DOE grant DE-SC0002156, and DESC0002156. It also used resources of the National Energy Research Scientif c Computing Center supported by the Off ce of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 47 TC 0 Z9 0 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0362-1340 EI 1558-1160 J9 ACM SIGPLAN NOTICES JI ACM Sigplan Not. PD APR PY 2014 VL 49 IS 4 BP 441 EP 454 DI 10.1145/2541940.2541953 PG 14 WC Computer Science, Software Engineering SC Computer Science GA CQ3WN UT WOS:000360535000031 ER PT J AU Zhang, XD Xia, CJ Xiao, XH Wang, YJ AF Zhang Xiao-Dan Xia Cheng-Jie Xiao Xiang-Hui Wang Yu-Jie TI Fast synchrotron X-ray tomography study of the packing structures of rods with different aspect ratios SO CHINESE PHYSICS B LA English DT Article DE synchrotron X-ray imaging; tomography; rod packing structure ID SPHERES AB We present a fast synchrotron X-ray tomography study of the packing structures of rods with different aspect ratios. Utilizing the high flux of the X-rays generated from the third-generation synchrotron source, we can complete a high-resolution tomography scan within a short period of time, after which the three-dimensional (3D) packing structure can be obtained for the subsequent structural analysis. The image phase-retrieval procedure has been implemented to enhance the image contrast. We systematically investigated the effects of particle shape and aspect ratio on the structural properties including packing density and contact number. It turns out that large aspect ratio rod packings will have wider distributions of free volume fraction and larger mean contact numbers. C1 [Zhang Xiao-Dan; Xia Cheng-Jie; Wang Yu-Jie] Shanghai Jiao Tong Univ, Dept Phys, Shanghai 200240, Peoples R China. [Xiao Xiang-Hui] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Wang, YJ (reprint author), Shanghai Jiao Tong Univ, Dept Phys, Shanghai 200240, Peoples R China. EM yujiewang@sjtu.edu.cn RI wang, yujie/C-2582-2015 FU National Natural Science Foundation of China [11175121]; National Basic Research Program of China [2010CB834301]; U.S. DOE [DE-AC02-06CH11357] FX Project supported by the National Natural Science Foundation of China (Grant No. 11175121) and the National Basic Research Program of China (Grant No. 2010CB834301). 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 (Grant No. DE-AC02-06CH11357). NR 19 TC 5 Z9 5 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1674-1056 EI 1741-4199 J9 CHINESE PHYS B JI Chin. Phys. B PD APR PY 2014 VL 23 IS 4 AR 044501 DI 10.1088/1674-1056/23/4/044501 PG 4 WC Physics, Multidisciplinary SC Physics GA AG8CL UT WOS:000335646200047 ER PT J AU Sahoo, SK Sopori, BL Misra, D Rivero, R Ravindra, NM AF Sahoo, Santosh K. Sopori, Bhushan L. Misra, Durga Rivero, Rene Ravindra, Nuggehalli M. TI Impact of interface trap density at metal/SiNx/n(+) MOS capacitor in multilayered Si solar cells SO EMERGING MATERIALS RESEARCH LA English DT Article DE materials science; constant voltage stressing; interface trap density; solar cell degradation ID SILICON SURFACE PASSIVATION AB Impact of the SiNx/n(+)-Si interface on silicon solar cell performance was investigated, where SiNx is used as a passivation layer. Significant shifts in capacitance, conductance and leakage current characteristics were observed for metal/SiN:H/n(+)-Si MOS capacitor when it was subjected to a constant voltage stress of +10 V at room temperature. The interface trap density (D-it) across the SiN:H/n(+)-Si interface increased from 6.3 x 10(9) to 7.5 x 109 cm(-2)eV(-1) after a 500-s stress whereas the n(+)/p junction diode remained unaffected by the stress. A direct correlation between the degradation of SiN:H/Si interface and the solar cell performance was observed. C1 [Sahoo, Santosh K.; Rivero, Rene] Natl Renewable Energy Lab, Golden, CO USA. [Sahoo, Santosh K.; Rivero, Rene] New Jersey Inst Technol, Newark, NJ 07102 USA. [Sahoo, Santosh K.] Colorado Sch Mines, Golden, CO 80401 USA. [Sopori, Bhushan L.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO USA. [Misra, Durga] New Jersey Inst Technol, Dept Elect & Comp Engn, Newark, NJ 07102 USA. [Ravindra, Nuggehalli M.] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. RP Sahoo, SK (reprint author), Natl Renewable Energy Lab, Golden, CO USA. EM sksahoo234@yahoo.com FU US Department of Energy, National Renewable Energy Laboratory, Golden, CO, USA; New Jersey Institute of Technology FX The authors thank the US Department of Energy, National Renewable Energy Laboratory, Golden, CO, USA, and the New Jersey Institute of Technology for their funding support. NR 11 TC 0 Z9 0 U1 0 U2 0 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 APR PY 2014 VL 3 IS 2 BP 101 EP 105 DI 10.1680/emr.13.00048 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA CX5BZ UT WOS:000365717400005 ER EF