FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Zhang, H Cao, QH Chen, CR Li, CS AF Zhang, Hao Cao, Qing-Hong Chen, Chuan-Ren Li, Chong Sheng TI Effective dark matter model: relic density, CDMS II, Fermi LAT and LHC SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Beyond Standard Model; Cosmology of Theories beyond the SM ID GOLDEN-AGE; SEARCH; CONSTRAINTS; PARTICLE; LIGHT; TELESCOPE; ENERGIES; HYDROGEN; PHYSICS; PAMELA AB The Cryogenic Dark Matter Search recently announced the observation of two signal events with a 77% confidence level. Although statistically inconclusive, it is nevertheless suggestive. In this work we present a model-independent analysis on the implication of direct and indirect searches for the dark matter using effective operator approach. Assuming that the interactions between (scalar, fermion or vector) dark matter and the standard model are mediated by unknown new physics at the scale Lambda, we examine various dimension-6 tree-level induced operators and constrain them using the current experimental data, including the WMAP data of the relic abundance, CDMS II direct detection of the spin-independent scattering, and indirect detection data (Fermi LAT cosmic gamma-ray). Finally, the LHC search is also explored. C1 [Zhang, Hao; Cao, Qing-Hong; Li, Chong Sheng] Peking Univ, Dept Phys, Beijing 100871, Peoples R China. [Zhang, Hao; Cao, Qing-Hong; Li, Chong Sheng] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Zhang, Hao; Cao, Qing-Hong] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Cao, Qing-Hong] Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. [Chen, Chuan-Ren] Univ Tokyo, Inst Phys & Math Universe, Tokyo 2778568, Japan. RP Zhang, H (reprint author), Peking Univ, Dept Phys, Beijing 100871, Peoples R China. EM haozhang.pku@pku.edu.cn; caoq@hep.anl.gov; chuan-ren.chen@ipmu.jp; csli@pku.edu.cn RI ZHANG, Hao/G-6430-2015 FU Argonne National Laboratory; University of Chicago Joint Theory Institute (JTI) [03921-07-137]; U.S. Department of Energy [DE-AC02-06CH11357, DE-FG02-90ER40560]; World Premier International Research Center Initiative (WPI initiative) by MEXT, Japan; National Natural Science Foundation of China [10721063, 10975004, 10635030]; China Scholarship Council (CSC) [2009601282] FX We thank J. L. Rosner, Tim Tait, Jose Wudka and C.-P. Yuan for useful discussions. Q.-H. C. is supported by the Argonne National Laboratory and University of Chicago Joint Theory Institute (JTI) Grant 03921-07-137, and by the U.S. Department of Energy under Grants No. DE-AC02-06CH11357 and No. DE-FG02-90ER40560. C. R. C. is supported by the World Premier International Research Center Initiative (WPI initiative) by MEXT, Japan. C. S. Li is supported by the National Natural Science Foundation of China, under Grants No. 10721063, No. 10975004 and No. 10635030. H. Z. is supported in part by the National Natural Science Foundation of China under Grants 10975004 and the China Scholarship Council (CSC) File No. 2009601282, and U. S. Department of Energy under Grants No. DE-AC02-06CH11357. C. R. C. thanks Institute of Physics, Academia Sinica in Taiwan for its hospitality during the final stages of this work. NR 87 TC 13 Z9 13 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD AUG PY 2011 IS 8 AR 018 DI 10.1007/JHEP08(2011)018 PG 50 WC Physics, Particles & Fields SC Physics GA 820JJ UT WOS:000294901400064 ER PT J AU Okomo-Adhiambo, M Sleeman, K Ballenger, K Nguyen, HT Mishin, VP Sheu, TG Smagala, J Li, Y Klimov, AI Gubareva, LV AF Okomo-Adhiambo, Margaret Sleeman, Katrina Ballenger, Kristina Nguyen, Ha T. Mishin, Vasiliy P. Sheu, Tiffany G. Smagala, James Li, Yan Klimov, Alexander I. Gubareva, Larisa V. TI Neuraminidase Inhibitor Susceptibility Testing in Human Influenza Viruses: A Laboratory Surveillance Perspective. (vol 2, pg 2269 2010) SO VIRUSES-BASEL LA English DT Correction C1 [Okomo-Adhiambo, Margaret; Sleeman, Katrina; Ballenger, Kristina; Nguyen, Ha T.; Mishin, Vasiliy P.; Sheu, Tiffany G.; Smagala, James; Klimov, Alexander I.; Gubareva, Larisa V.] Ctr Dis Control & Prevent, Virus Surveillance & Diag Branch, Influenza Div, Natl Ctr Immunizat & Resp Dis, Atlanta, GA 30333 USA. [Nguyen, Ha T.] Atlanta Res & Educ Fdn, Decatur, GA 30033 USA. [Sheu, Tiffany G.] Battelle Mem Inst, Atlanta, GA 30329 USA. [Smagala, James] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. [Li, Yan] Publ Hlth Agcy Canada, Influenza & Resp Viruses Sect, Natl Microbiol Lab, Winnipeg, MB R3E 3R2, Canada. RP Gubareva, LV (reprint author), Ctr Dis Control & Prevent, Virus Surveillance & Diag Branch, Influenza Div, Natl Ctr Immunizat & Resp Dis, 1600 Clifton Rd NE,Mailstop G16, Atlanta, GA 30333 USA. EM gfv3@cdc.gov; hhk6@cdc.gov; isx0@cdc.gov; hsn7@cdc.gov; fwc7@cdc.gov; gbq3@cdc.gov; gpa1@cdc.gov; yan.li@phac-aspc.gc.ca; axk0@cdc.gov; lgubareva@cdc.gov NR 1 TC 0 Z9 0 U1 0 U2 0 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1999-4915 J9 VIRUSES-BASEL JI Viruses-Basel PD AUG PY 2011 VL 3 IS 8 BP 1415 EP 1416 DI 10.3390/v3081415 PG 2 WC Virology SC Virology GA 824OR UT WOS:000295212100008 ER PT J AU Loss, LA Bebis, G Parvin, B AF Loss, Leandro A. Bebis, George Parvin, Bahram TI Iterative Tensor Voting for Perceptual Grouping of Ill-Defined Curvilinear Structures SO IEEE TRANSACTIONS ON MEDICAL IMAGING LA English DT Article DE Adherens junctions; curvilinear structures; iterative tensor voting (ITV); perceptual grouping ID INFERENCE; CURVATURE; IMAGES; SEGMENTATION; ORGANIZATION; CONTOURS; ASSAYS; COLOR; SHAPE AB In this paper, a novel approach is proposed for perceptual grouping and localization of ill-defined curvilinear structures. Our approach builds upon the tensor voting and the iterative voting frameworks. Its efficacy lies on iterative refinements of curvilinear structures by gradually shifting from an exploratory to an exploitative mode. Such a mode shifting is achieved by reducing the aperture of the tensor voting fields, which is shown to improve curve grouping and inference by enhancing the concentration of the votes over promising, salient structures. The proposed technique is validated on delineating adherens junctions that are imaged through fluorescence microscopy. However, the method is also applicable for screening other organisms based on characteristics of their cell wall structures. Adherens junctions maintain tissue structural integrity and cell-cell interactions. Visually, they exhibit fibrous patterns that may be diffused, heterogeneous in fluorescence intensity, or punctate and frequently perceptual. Besides the application to real data, the proposed method is compared to prior methods on synthetic and annotated real data, showing high precision rates. C1 [Loss, Leandro A.; Parvin, Bahram] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94575 USA. [Bebis, George] Univ Nevada, Dept Comp Sci & Engn, Reno, NV 89577 USA. [Bebis, George] King Saud Univ, Dept Comp Sci, Riyadh, Saudi Arabia. [Parvin, Bahram] Univ Calif Riverside, Dept Elect Engn, Riverside, CA 92521 USA. RP Loss, LA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94575 USA. EM laloss@lbl.gov; bebis@cse.unr.edu; b_parvin@lbl.gov RI chen, zhu/K-5923-2013 FU Office of Science, Office of Biological and Environmental Research; Radiotracer and Imaging Technologies of the U.S. Department of Energy; National Cancer Institute [R01CA140663, DE-AC0205CH11231] FX This work was supported in part by 1) the Director, Office of Science, Office of Biological and Environmental Research, the Radiotracer and Imaging Technologies of the U.S. Department of Energy, and 2) a grant from the National Cancer Institute (R01CA140663) under Contract DE-AC0205CH11231. Asterisk indicates corresponding author. NR 38 TC 16 Z9 18 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0278-0062 J9 IEEE T MED IMAGING JI IEEE Trans. Med. Imaging PD AUG PY 2011 VL 30 IS 8 BP 1503 EP 1513 DI 10.1109/TMI.2011.2129526 PG 11 WC Computer Science, Interdisciplinary Applications; Engineering, Biomedical; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology; Radiology, Nuclear Medicine & Medical Imaging SC Computer Science; Engineering; Imaging Science & Photographic Technology; Radiology, Nuclear Medicine & Medical Imaging GA 805TT UT WOS:000293752600006 PM 21421432 ER PT J AU Bitra, VSP Womac, AR Yang, YCT Miu, PI Igathinathane, C Chevanan, N Sokhansanj, S AF Bitra, Venkata S. P. Womac, Alvin R. Yang, Yuechuan T. Miu, Petre I. Igathinathane, C. Chevanan, Nehru Sokhansanj, Shahab TI Characterization of wheat straw particle size distributions as affected by knife mill operating factors SO BIOMASS & BIOENERGY LA English DT Article DE Wheat straw; Knife mill; Mill frequency; Size reduction; Particle size distribution; Rosin-Rammler equation ID CORN STOVER; BIOMASS; SWITCHGRASS; GRIND AB Knowing the effect of mill operating factors on biomass size reduction would be useful for predicting or adjusting particle size distributions that affect supply chain efficiency and biomass-to-fuel conversion processes. Wheat straw (Triticum aestivum L.) particle size distributions generated by a knife mill were determined for integral classifying screen sizes from 12.7 to 50.8 mm, operating frequencies from 4.17 to 8.33 Hz, and mass input rates from 2 to 9 kg min(-1). Particle distributions were obtained with standardized sieves for forage analysis that included horizontal sieving motion with machined-aluminum sieves of thickness proportional to sieve opening dimensions to reduce inadvertent particle spearing through sieve openings. Several analytical descriptors were examined to mathematically represent the range of particle sizes in the distributions. Screen size and feed rate directly influenced particle size, whereas operating frequency had a weak indirect relation with particle size. The Rosin-Rammler equation adequately fit the knife-milled wheat straw particle size distribution data (R(2) > 0.982). Mass relative span was > 1, which indicated a wide distribution of particle sizes. Uniformity coefficient was < 4.0 for 12.7 and 19.0 mm screens, which indicated particles of relatively uniform size. Knife mill chopping of wheat straw produced fine-skewed mesokurtic particles with 12.7-25.4 mm screens and strongly fine-skewed mesokurtic particles with 50.8 mm screen. Other size related parameters, such as, geometric mean length, Rosin-Rammler size parameter, median length, effective length, and size guide number, were well predicted as a function of knife mill screen size, feed rate, and mill frequency. Results showed the relative effects of knife mill operating factors to produce particular particle sizes of wheat straw. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Bitra, Venkata S. P.; Womac, Alvin R.; Yang, Yuechuan T.; Miu, Petre I.; Chevanan, Nehru] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA. [Igathinathane, C.] N Dakota State Univ, Dept Agr & Biosyst Engn, Fargo, ND 58102 USA. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Womac, AR (reprint author), Univ Tennessee, Dept Biosyst Engn & Soil Sci, 2506 EJ Chapman Dr, Knoxville, TN 37996 USA. EM awomac@utk.edu OI Cannayen, Igathinathane/0000-0001-8884-7959 NR 29 TC 7 Z9 7 U1 0 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PD AUG PY 2011 VL 35 IS 8 BP 3674 EP 3686 DI 10.1016/j.biombioe.2011.05.026 PG 13 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 820WY UT WOS:000294938000043 ER PT J AU Bodas-Salcedo, A Webb, MJ Bony, S Chepfer, H Dufresne, JL Klein, SA Zhang, Y Marchand, R Haynes, JM Pincus, R John, VO AF Bodas-Salcedo, A. Webb, M. J. Bony, S. Chepfer, H. Dufresne, J. -L. Klein, S. A. Zhang, Y. Marchand, R. Haynes, J. M. Pincus, R. John, V. O. TI COSP Satellite simulation software for model assessment SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID GENERAL-CIRCULATION MODEL; WATER-VAPOR; HADLEY-CENTER; ECMWF MODEL; RADIATIVE-TRANSFER; CHANNEL RADIANCES; CLOUDSAT MISSION; CLIMATE-CHANGE; ICESAT LIDAR; PRODUCTS AB By simulating the observations of multiple satellite instruments, COSP enables quantitative evaluation of clouds, humidity, and precipitation processes in diverse numerical models. C1 [Bodas-Salcedo, A.; Webb, M. J.; John, V. O.] Met Off Hadley Ctr, Exeter EX1 3PB, Devon, England. [Bony, S.; Chepfer, H.; Dufresne, J. -L.] Univ Paris 06, Meteorol Dynam Lab, Inst Pierre Simon Lapl, Ctr Natl Rech Sci, Paris, France. [Klein, S. A.; Zhang, Y.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA. [Marchand, R.] Univ Washington, Joint Inst Study Atmosphere & Ocean, Seattle, WA 98195 USA. [Haynes, J. M.] Monash Univ, Sch Math Sci, Clayton, Vic, Australia. [Pincus, R.] Univ Colorado, Boulder, CO 80309 USA. [Pincus, R.] NOAA, Earth Syst Res Lab, Boulder, CO USA. RP Bodas-Salcedo, A (reprint author), Met Off Hadley Ctr, FitzRoy Rd, Exeter EX1 3PB, Devon, England. EM alejandro.bodas@metoffice.gov.uk RI Zhang, Yuying/H-5011-2012; Pincus, Robert/B-1723-2013; Dufresne, Jean-Louis/I-5616-2015; Klein, Stephen/H-4337-2016; OI Pincus, Robert/0000-0002-0016-3470; Dufresne, Jean-Louis/0000-0003-4764-9600; Klein, Stephen/0000-0002-5476-858X; Bony, Sandrine/0000-0002-4791-4438 FU Joint DECC/Defra Met Office Hadley Centre [GA01101]; NASA [NNX08AD65G]; U. S. Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; French LEFE project MISSTERRE; Seventh Framework Programme project EUCLIPSE; NASA Jet Propulsion Laboratory [NMO710860]; Office of Science at the U. S. Department of Energy FX A. Bodas-Salcedo, M. J. Webb, and V. O. John were supported by the Joint DECC/Defra Met Office Hadley Centre Climate Programme (GA01101). Support for S. A. Klein and Y. Zhang was provided by the Regional and Global Climate Modeling and Earth System Modeling Programs of the Office of Science at the U. S. Department of Energy with additional support from the NASA Modeling, Analysis, and Prediction Program. The contribution of S. A. Klein and Y. Zhang to this work was performed under the auspices of the U. S. Department of Energy by the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work benefited from the financial support of the French LEFE project MISSTERRE. This work was partly funded by the Seventh Framework Programme project EUCLIPSE. The authors would like to thank the Department of Energy Pacific Northwest National Laboratory (PNNL), John Helly and Dave Randall at the Center for Multiscale Modeling of Atmospheric Processes (CMMAP), and the San Diego Supercomputing Center (SDSC) for providing the computer time and support needed to run the MMF climate model. Funding for this research was supported in part by the NASA Jet Propulsion Laboratory (Contract NMO710860). R. Pincus was supported by NASA Grant NNX08AD65G. CloudSat data were obtained from the CloudSat Data Processing Center (http://cloudsat.cira.colostate.edu). CALIPSO-GOCCP data were obtained from the IPSL ClimServ/ICARE data center (http://climserv.ipsl.polytechnique.fr/cfmip-obs. html). ISCCP data were obtained from the NASA Langley Research Center Atmospheric Science Data Center (http://eosweb.larc.nasa.gov). Thanks to those members of the NASA Langley Research Center and NASA Jet Propulsion Laboratory who are generating the MISR CTH-OD dataset, including Jeff Walters, Mike Smyth, Alex Menzies, and Catherine Moroney. MODIS data were obtained from the level 1 and Atmosphere Archive and Distribution System (LAADS), NASA Goddard Space Flight Center. We thank T. H. Stein, M. Woodage, R. Forbes, C. Nam, M. Satoh, and M. Ringer for their helpful comments and feedback. We thank the three anonymous reviewers, who helped to improve the quality of the paper. NR 78 TC 161 Z9 162 U1 3 U2 54 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 AUG PY 2011 VL 92 IS 8 BP 1023 EP 1043 DI 10.1175/2011BAMS2856.1 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 821CE UT WOS:000294951600007 ER PT J AU Jones, RE Templeton, JA Rebold, TW AF Jones, Reese E. Templeton, Jeremy A. Rebold, Timothy W. TI Simulated Real-Time Detection of a Small Molecule on a Carbon Nanotube Cantilever SO JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE LA English DT Article DE Sensor; Carbon Nanotube; Kalman Filter; Beam Theory; Langevin Model ID NANOELECTROMECHANICAL SYSTEMS; YOUNGS MODULUS; FREE BEAM; FREE END; MASS; DYNAMICS; RESONATORS; HYDROCARBONS; ALGORITHMS; LANGEVIN AB In this work we explore limits of using a functionalized carbon nanotube as a mechanical sensor of small gas-phase molecules. Specifically, we investigate how fast can a change in tip mass be detected and how small a change can be detected as a simplified version of the attachment of weakly-bonded gas phase molecules. Filtering and identification techniques are based on a specialized, parallel Kalman filter, newly developed continuum beam theory and a Langevin model of the thermal vibrations of the carbon nanotube. In this simulation-based work, we account for thermal noise that is intrinsic to the carbon nanotube and the attached substrate but omit detector noise for simplicity. C1 [Jones, Reese E.; Templeton, Jeremy A.] Sandia Natl Labs, Livermore, CA 94551 USA. [Rebold, Timothy W.] Purdue Univ, W Lafayette, IN 47907 USA. RP Jones, RE (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. FU Sandia National Laboratories; United States Department of Energy [DE-ACO4-94AL85000] FX We would like to acknowledge the support of the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-ACO4-94AL85000. NR 51 TC 0 Z9 0 U1 1 U2 3 PU AMER SCIENTIFIC PUBLISHERS PI VALENCIA PA 26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA SN 1546-1955 J9 J COMPUT THEOR NANOS JI J. Comput. Theor. Nanosci. PD AUG PY 2011 VL 8 IS 8 BP 1364 EP 1384 DI 10.1166/jctn.2011.1822 PG 21 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 819ZP UT WOS:000294875500002 ER PT J AU Hellsten, U Aspden, JL Rio, DC Rokhsar, DS AF Hellsten, Uffe Aspden, Julie L. Rio, Donald C. Rokhsar, Daniel S. TI A segmental genomic duplication generates a functional intron SO NATURE COMMUNICATIONS LA English DT Article ID RETICULUM CA2+ ATPASE; BRODY-DISEASE; SPLICEOSOMAL INTRONS; MUTATION; SERCA1; GENE; CONSEQUENCES; MECHANISMS; EVOLUTION; BIRTH AB An intron is an extended genomic feature whose function requires multiple constrained positions-donor and acceptor splice sites, a branch point, a polypyrimidine tract and suitable splicing enhancers-that may be distributed over hundreds or thousands of nucleotides. New introns are therefore unlikely to emerge by incremental accumulation of functional sub-elements. Here we demonstrate that a functional intron can be created de novo in a single step by a segmental genomic duplication. This experiment recapitulates in vivo the birth of an intron that arose in the ancestral jawed vertebrate lineage nearly half-a-billion years ago. C1 [Hellsten, Uffe; Rokhsar, Daniel S.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Aspden, Julie L.; Rio, Donald C.; Rokhsar, Daniel S.] Univ Calif Berkeley, Ctr Integrat Genom, Berkeley, CA 94707 USA. [Aspden, Julie L.; Rio, Donald C.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94707 USA. RP Hellsten, U (reprint author), US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. EM UHellsten@lbl.gov FU Office of Science of the US Department of Energy [DE-AC02-05CH11231]; NIH [R01 GM61987]; R.A. Melmon and the Gordon and Betty Moore Foundation FX We thank Karen Clyde for HeLa cells, Malik Francis for MC1061 RecA-cells, Robert Tjian for DME medium and trypsin, ELIM for sequencing facilities, Matt Taliaferro and Melissa Harrison for helpful discussions. 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. Research in the Rio lab is supported by NIH R01 GM61987. Research in the Rokhsar lab is supported by a grant from R.A. Melmon and the Gordon and Betty Moore Foundation. NR 23 TC 6 Z9 6 U1 1 U2 3 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD AUG PY 2011 VL 2 AR 454 DI 10.1038/ncomms1461 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 819DV UT WOS:000294806500047 PM 21878908 ER PT J AU Vailionis, A Gamaly, EG Mizeikis, V Yang, WG Rode, AV Juodkazis, S AF Vailionis, Arturas Gamaly, Eugene G. Mizeikis, Vygantas Yang, Wenge Rode, Andrei V. Juodkazis, Saulius TI Evidence of superdense aluminium synthesized by ultrafast microexplosion SO NATURE COMMUNICATIONS LA English DT Article ID STRUCTURAL PHASE-TRANSITIONS; HIGH-PRESSURE PHASE; X-RAY; SOLID OXYGEN; COMPRESSION; SELENIUM; STATE; BETA-SI3N4; EQUATION; SILICA AB At extreme pressures and temperatures, such as those inside planets and stars, common materials form new dense phases with compacted atomic arrangements and unusual physical properties. The synthesis and study of new phases of matter at pressures above 100 GPa and temperatures above 10(4) K-warm dense matter-may reveal the functional details of planet and star interiors, and may lead to materials with extraordinary properties. Many phases have been predicted theoretically that may be realized once appropriate formation conditions are found. Here we report the synthesis of a superdense stable phase of body-centred-cubic aluminium, predicted by first-principles theories to exist at pressures above 380 GPa. The superdense Al phase was synthesized in the non-equilibrium conditions of an ultrafast laser-induced microexplosion confined inside sapphire (alpha-Al(2)O(3)). Confined microexplosions offer a strategy to create and recover high-density polymorphs, and a simple method for tabletop study of warm dense matter. C1 [Juodkazis, Saulius] Swinburne Univ Technol, Ctr Microphoton, Fac Engn & Ind Sci, Hawthorn, Vic 3122, Australia. [Vailionis, Arturas] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Vailionis, Arturas] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Gamaly, Eugene G.; Rode, Andrei V.] Australian Natl Univ, Laser Phys Ctr, Res Sch Phys & Engn, Canberra, ACT 0200, Australia. [Mizeikis, Vygantas] Shizuoka Univ, Div Global Res Leaders, Elect Res Inst, Naka Ku, Hamamatsu, Shizuoka 4328561, Japan. [Yang, Wenge] Argonne Natl Lab, HPSynC Carnegie Inst Washington, Argonne, IL 60439 USA. RP Juodkazis, S (reprint author), Swinburne Univ Technol, Ctr Microphoton, Fac Engn & Ind Sci, Hawthorn, Vic 3122, Australia. EM SJuodkazis@swin.edu.au RI Juodkazis, Saulius/D-7615-2011; Yang, Wenge/H-2740-2012; Rode, Andrei/D-4672-2013; Vailionis, Arturas/C-5202-2008; OI Juodkazis, Saulius/0000-0003-3542-3874; Rode, Andrei/0000-0002-9869-9782; Vailionis, Arturas/0000-0001-5878-1864; , Saulius/0000-0003-3897-2844 FU Australian Research Council; CIW; CDAC; UNLV; LLNL; DOE-BES; DOE-NNSA; NSF; EFree, an Energy Frontier Research Center; DOE-BES [DE-SC000 1057] FX We thank A. G. Christy for comments and suggestions that helped to improve the manuscript. This work was supported by the Australian Research Council through the Discovery program. SJ thanks Photon Process lab of Hokkaido University for the use of their laser, Tecdia Ltd. for sample preparation. XRD experiments were performed at HPCAT, which is supported by CIW, CDAC, UNLV and LLNL through funding from DOE-BES, DOE-NNSA and NSF. HPSynC is supported as part of the EFree, an Energy Frontier Research Center funded by DOE-BES under award DE-SC000 1057. NR 52 TC 60 Z9 60 U1 3 U2 39 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD AUG PY 2011 VL 2 AR 445 DI 10.1038/ncomms1449 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 819DV UT WOS:000294806500038 PM 21863012 ER PT J AU Zou, GF Luo, HM Baily, S Zhang, YY Haberkorn, NF Xiong, J Bauer, E McCleskey, TM Burrell, AK Civale, L Zhu, YT MacManus-Driscoll, JL Jia, QX AF Zou, G. F. Luo, H. M. Baily, S. Zhang, Y. Y. Haberkorn, N. F. Xiong, J. Bauer, E. McCleskey, T. M. Burrell, A. K. Civale, L. Zhu, Y. T. MacManus-Driscoll, J. L. Jia, Q. X. TI Highly aligned carbon nanotube forests coated by superconducting NbC SO NATURE COMMUNICATIONS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; COLUMNAR DEFECTS; IRRADIATION; CARBIDES; FILMS AB The formation of carbon nanotube and superconductor composites makes it possible to produce new and/or improved functionalities that the individual material does not possess. Here we show that coating carbon nanotube forests with superconducting niobium carbide (NbC) does not destroy the microstructure of the nanotubes. NbC also shows much improved superconducting properties such as a higher irreversibility and upper critical field. An upper critical field value of similar to 5 T at 4.2 K is much greater than the 1.7 T reported in the literature for pure bulk NbC. Furthermore, the aligned carbon nanotubes induce anisotropy in the upper critical field, with a higher upper critical field occurring when the magnetic field is parallel to the carbon nanotube growth direction. These results suggest that highly oriented carbon nanotubes embedded in superconducting NbC matrix can function as defects and effectively enhance the superconducting properties of the NbC. C1 [Zou, G. F.] Soochow Univ, Sch Phys Sci & Technol, Suzhou 215000, Peoples R China. [Zou, G. F.; Zhang, Y. Y.; Xiong, J.; Jia, Q. X.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Luo, H. M.] New Mexico State Univ, Dept Chem Engn, Las Cruces, NM 88003 USA. [Baily, S.; Haberkorn, N. F.; Civale, L.] Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. [Zhu, Y. T.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [MacManus-Driscoll, J. L.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. RP Zou, GF (reprint author), Soochow Univ, Sch Phys Sci & Technol, Suzhou 215000, Peoples R China. EM zouguifu@suda.edu.cn; qxjia@lanl.gov RI Zhu, Yuntian/B-3021-2008; Zhang, Yingying/A-7260-2009; ZOU, GUIFU/C-8498-2011; McCleskey, Thomas/J-4772-2012; Jia, Q. X./C-5194-2008; OI Zhu, Yuntian/0000-0002-5961-7422; Zhang, Yingying/0000-0002-8448-3059; Civale, Leonardo/0000-0003-0806-3113; Mccleskey, Thomas/0000-0003-3750-3245 FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. The work of L. C. and N.H. was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. NR 17 TC 19 Z9 19 U1 1 U2 44 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD AUG PY 2011 VL 2 AR 428 DI 10.1038/ncomms1438 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 819DV UT WOS:000294806500021 PM 21847102 ER PT J AU Chan, VS Stambaugh, RD Garofalo, AM Canik, J Kinsey, JE Park, JM Peng, MYK Petrie, TW Porkolab, M Prater, R Sawan, M Smith, JP Snyder, PB Stangeby, PC Wong, CPC AF Chan, V. S. Stambaugh, R. D. Garofalo, A. M. Canik, J. Kinsey, J. E. Park, J. M. Peng, M. Y. K. Petrie, T. W. Porkolab, M. Prater, R. Sawan, M. Smith, J. P. Snyder, P. B. Stangeby, P. C. Wong, C. P. C. TI A fusion development facility on the critical path to fusion energy SO NUCLEAR FUSION LA English DT Article ID TOKAMAK AB A fusion development facility (FDF) based on the tokamak approach with normal conducting magnetic field coils is presented. FDF is envisioned as a facility with the dual objective of carrying forward advanced tokamak (AT) physics and enabling the development of fusion energy applications. AT physics enables the design of a compact steady-state machine of moderate gain that can provide the neutron fluence required for FDF's nuclear science development objective. A compact device offers a uniquely viable path for research and development in closing the fusion fuel cycle because of the demand to consume only a moderate quantity of the limited supply of tritium fuel before the technology is in hand for breeding tritium. C1 [Chan, V. S.; Stambaugh, R. D.; Garofalo, A. M.; Kinsey, J. E.; Petrie, T. W.; Prater, R.; Smith, J. P.; Snyder, P. B.; Wong, C. P. C.] Gen Atom Co, San Diego, CA 92186 USA. [Canik, J.; Park, J. M.; Peng, M. Y. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Porkolab, M.] MIT, Cambridge, MA 02139 USA. [Sawan, M.] Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. [Stangeby, P. C.] Univ Toronto, Inst Aerosp Studies, N York, ON M3H 5T6, Canada. RP Chan, VS (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. OI Canik, John/0000-0001-6934-6681 FU General Atomics; US Department of Energy [DE-AC-05OR22725, DE-FG02-95ER54309, DE-FC02-04ER54698, DE-FG02-94ER54084, DE-FG02-09ER54513]; National Science and Engineering Research Council of Canada FX This work supported in part by General Atomics internal funding and the US Department of Energy under DE-AC-05OR22725, DE-FG02-95ER54309, DE-FC02-04ER54698, DE-FG02-94ER54084 and DE-FG02-09ER54513 and supported by the Collaborative Research Opportunities Grant from the National Science and Engineering Research Council of Canada. NR 12 TC 20 Z9 20 U1 1 U2 5 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083019 DI 10.1088/0029-5515/51/8/083019 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400020 ER PT J AU Delgado-Aparicio, L Stutman, D Tritz, K Volpe, F Wong, KL Bell, R Finkenthal, M Fredrickson, E Gerhardt, SP Kaye, S LeBlanc, B Menard, J Paul, S Roquemore, L AF Delgado-Aparicio, L. Stutman, D. Tritz, K. Volpe, F. Wong, K. L. Bell, R. Finkenthal, M. Fredrickson, E. Gerhardt, S. P. Kaye, S. LeBlanc, B. Menard, J. Paul, S. Roquemore, L. TI Impurity transport experiments and effects on MHD in the National Spherical Torus Experiment (NSTX) SO NUCLEAR FUSION LA English DT Article ID ROTATING TOKAMAK PLASMA; NEOCLASSICAL TEARING MODES; ASDEX UPGRADE; INJECTION AB A first assessment of low-Z impurity transport in beam-heated NSTX H-modes has been performed using magnetic field and current scans at fixed q-profile as well as temperature scans at constant plasma density, current and toroidal field. Impurity diffusivity levels consistent with the neoclassical predictions have been found, whereas a reversal of the convective velocity at low fields indicates an anomalous effect to be at play at the gradient region. Studies on the impact of rotation in low-density H-modes have also shown that heavy and not fully stripped impurities with high Mach numbers can experience core diffusivities several times larger than that of the 'standard' neoclassical transport for stationary plasmas, without the need of invoking the presence of long wavelength core electrostatic turbulence. As a result of a deliberate neon impurity injection we have also observed a correlation between the strength of the emitted radiation, the earlier appearance of tearing modes activity and an enhanced plasma cooling that resulted in enlarged magnetic islands. C1 [Delgado-Aparicio, L.; Wong, K. L.; Bell, R.; Fredrickson, E.; Gerhardt, S. P.; Kaye, S.; LeBlanc, B.; Paul, S.; Roquemore, L.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Stutman, D.; Tritz, K.; Finkenthal, M.; Menard, J.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Volpe, F.] Univ Wisconsin, Madison, WI 53706 USA. RP Delgado-Aparicio, L (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM ldelgado@pppl.gov RI Volpe, Francesco/D-2994-2009; Stutman, Dan/P-4048-2015; OI Volpe, Francesco/0000-0002-7193-7090; Menard, Jonathan/0000-0003-1292-3286 FU US DoE [DE-AC02-09CH11466]; DoE [DE-FG02-99ER5452] FX This work was supported by US DoE Contract No DE-AC02-09CH11466 at PPPL and DoE grant No DE-FG02-99ER5452 at Johns Hopkins University. One of the authors (LDA) would like to thank Dr Wayne Houlberg (ITER) for insightful discussions on the role of toroidal rotation on impurity transport. NR 43 TC 13 Z9 13 U1 0 U2 6 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083047 DI 10.1088/0029-5515/51/8/083047 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400048 ER PT J AU Garofalo, AM Solomon, WM Park, JK Burrell, KH DeBoo, JC Lanctot, MJ McKee, GR Reimerdes, H Schmitz, L Schaffer, MJ Snyder, PB AF Garofalo, A. M. Solomon, W. M. Park, J. -K. Burrell, K. H. DeBoo, J. C. Lanctot, M. J. McKee, G. R. Reimerdes, H. Schmitz, L. Schaffer, M. J. Snyder, P. B. TI Advances towards QH-mode viability for ELM-stable operation in ITER SO NUCLEAR FUSION LA English DT Article ID NEOCLASSICAL TEARING MODES; DIII-D TOKAMAK; POLOIDAL ROTATION; PLASMAS; FIELD; CONFINEMENT; STABILITY; REGIME; SHEAR AB The application of static, non-axisymmetric, nonresonant magnetic fields (NRMFs) to high beta DIII-D plasmas has allowed sustained operation with a quiescent H-mode (QH-mode) edge and both toroidal rotation and neutral beam injected torque near zero. Previous studies have shown that QH-mode operation can be accessed only if sufficient radial shear in the plasma flow is produced near the plasma edge. In past experiments, this flow shear was produced using neutral beam injection (NBI) to provide toroidal torque. In recent experiments, this torque was nearly completely replaced by the torque from applied NRMFs. The application of the NRMFs does not degrade the global energy confinement of the plasma. Conversely, the experiments show that the energy confinement quality increases with lower plasma rotation. Furthermore, the NRMF torque increases plasma resilience to locked modes at low rotation. These results open a path towards QH-mode utilization as an edge-localized mode (ELM)-stable H-mode in the self-heated burning plasma scenario, where toroidal momentum input from NBI may be small or absent. C1 [Garofalo, A. M.; Burrell, K. H.; DeBoo, J. C.; Schaffer, M. J.; Snyder, P. B.] Gen Atom Co, San Diego, CA 92186 USA. [Solomon, W. M.; Park, J. -K.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Lanctot, M. J.; Reimerdes, H.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [McKee, G. R.] Univ Wisconsin, Dept Engn Phys, Madison, WI USA. [Schmitz, L.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RP Garofalo, AM (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM garofalo@fusion.gat.com RI Lanctot, Matthew J/O-4979-2016; OI Lanctot, Matthew J/0000-0002-7396-3372; Solomon, Wayne/0000-0002-0902-9876 FU US Department of Energy [DE-FC02-04ER54698, DE-FG02-04ER54761, DE-AC02-09CH11466, DE-FG02-08ER54984] FX This work was supported by the US Department of Energy under DE-FC02-04ER54698, DE-FG02-04ER54761, DE-AC02-09CH11466 and DE-FG02-08ER54984. The authors wish to thank T. H. Osborne for his support in the analysis of pedestal data, and E.J. Strait and T. L. Rhodes for helpful discussions. NR 34 TC 45 Z9 45 U1 1 U2 22 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083018 DI 10.1088/0029-5515/51/8/083018 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400019 ER PT J AU Hegelich, BM Jung, D Albright, BJ Fernandez, JC Gautier, DC Huang, C Kwan, TJ Letzring, S Palaniyappan, S Shah, RC Wu, HC Yin, L Henig, A Horlein, R Kiefer, D Schreiber, J Yan, XQ Tajima, T Habs, D Dromey, B Honrubia, JJ AF Hegelich, B. M. Jung, D. Albright, B. J. Fernandez, J. C. Gautier, D. C. Huang, C. Kwan, T. J. Letzring, S. Palaniyappan, S. Shah, R. C. Wu, H. -C. Yin, L. Henig, A. Hoerlein, R. Kiefer, D. Schreiber, J. Yan, X. Q. Tajima, T. Habs, D. Dromey, B. Honrubia, J. J. TI Experimental demonstration of particle energy, conversion efficiency and spectral shape required for ion-based fast ignition SO NUCLEAR FUSION LA English DT Article ID OPTICAL-PARAMETRIC-AMPLIFICATION; LASER-PULSES; PROTON-BEAMS; ACCELERATION; ELECTRON; TARGETS; PLASMA; FOILS; GAIN AB Research on fusion fast ignition (FI) initiated by laser-driven ion beams has made substantial progress in the last years. Compared with electrons, FI based on a beam of quasi-monoenergetic ions has the advantage of a more localized energy deposition, and stiffer particle transport, bringing the required total beam energy close to the theoretical minimum. Due to short pulse laser drive, the ion beam can easily deliver the 200 TW power required to ignite the compressed D-T fuel. In integrated calculations we recently simulated ion-based FI targets with high fusion gain targets and a proof of principle experiment [1]. These simulations identify three key requirements for the success of ion-driven fast ignition (IFI): (1) the generation of a sufficiently high-energetic ion beam (approximate to 400-500 MeV for C), with (2) less than 20% energy spread at (3) more than 10% conversion efficiency of laser to beam energy. Here we present for the first time new experimental results, demonstrating all three parameters in separate experiments. Using diamond nanotargets and ultrahigh contrast laser pulses we were able to demonstrate >500 MeV carbon ions, as well as carbon pulses with Delta E/E < 20%. The first measurements put the total conversion efficiency of laser light into high energy carbon ions on the order of 10%. C1 [Hegelich, B. M.; Jung, D.; Albright, B. J.; Fernandez, J. C.; Gautier, D. C.; Huang, C.; Kwan, T. J.; Letzring, S.; Palaniyappan, S.; Shah, R. C.; Wu, H. -C.; Yin, L.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Hegelich, B. M.; Jung, D.; Henig, A.; Hoerlein, R.; Kiefer, D.; Schreiber, J.; Yan, X. Q.; Tajima, T.; Habs, D.] Univ Munich, Fak Phys, D-85748 Garching, Germany. [Dromey, B.] Queens Univ Belfast, Dept Phys & Astron, Belfast BT7 1NN, Antrim, North Ireland. [Honrubia, J. J.] Univ Politecn Madrid, USAETSI Aeronaut, E-28040 Madrid, Spain. RP Hegelich, BM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM hegelich@lanl.gov RI Fernandez, Juan/H-3268-2011; Hegelich, Bjorn/J-2689-2013; Honrubia, Javier/L-6337-2014; palaniyappan, sasikumar/A-7791-2015; OI Fernandez, Juan/0000-0002-1438-1815; Honrubia, Javier/0000-0002-3024-4431; Albright, Brian/0000-0002-7789-6525; Huang, Chengkun/0000-0002-3176-8042; Yin, Lin/0000-0002-8978-5320; Palaniyappan, sasi/0000-0001-6377-1206 FU US DOE; LANL LDRD program office; German DFG; LMUexcellent FX We acknowledge the expert support of the Trident laser team (R. Johnson, T. Shimada, T. Hurry, R. Gonzales, S.-M. Reid, F. Archuleta). We also acknowledge K. Flippo's help in setting up the backscatter measurements and P. Hiltze's (LMU) support for target fabrication. This work is sponsored by the US DOE and the LANL LDRD program office and by the German DFG and LMUexcellent. NR 42 TC 33 Z9 33 U1 0 U2 19 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083011 DI 10.1088/0029-5515/51/8/083011 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400012 ER PT J AU Imbeaux, F Citrin, J Hobirk, J Hogeweij, GMD Kochl, F Leonov, VM Miyamoto, S Nakamura, Y Parail, V Pereverzev, G Polevoi, A Voitsekhovitch, I Basiuk, V Budny, R Casper, T Fereira, J Fukuyama, A Garcia, J Gribov, YV Hayashi, N Honda, M Hutchinson, IH Jackson, G Kavin, AA Kessel, CE Khayrutdinov, RR Labate, C Litaudon, X Lomas, PJ Lonnroth, J Luce, T Lukash, VE Mattei, M Mikkelsen, D Nunes, I Peysson, Y Politzer, P Schneider, M Sips, G Tardini, G Wolfe, SM Zhogolev, VE AF Imbeaux, F. Citrin, J. Hobirk, J. Hogeweij, G. M. D. Koechl, F. Leonov, V. M. Miyamoto, S. Nakamura, Y. Parail, V. Pereverzev, G. Polevoi, A. Voitsekhovitch, I. Basiuk, V. Budny, R. Casper, T. Fereira, J. Fukuyama, A. Garcia, J. Gribov, Y. V. Hayashi, N. Honda, M. Hutchinson, I. H. Jackson, G. Kavin, A. A. Kessel, C. E. Khayrutdinov, R. R. Labate, C. Litaudon, X. Lomas, P. J. Lonnroth, J. Luce, T. Lukash, V. E. Mattei, M. Mikkelsen, D. Nunes, I. Peysson, Y. Politzer, P. Schneider, M. Sips, G. Tardini, G. Wolfe, S. M. Zhogolev, V. E. CA ASDEX Upgrade Team C-Mod Team DIII-D Team JET-EFDA Contributors JT-60U Team Tore Supra Team EU-ITM ITER Scenario Modelling Grp ITPA Integrated Operation Scena ITPA Transport Confinement Grp TI Current ramps in tokamaks: from present experiments to ITER scenarios SO NUCLEAR FUSION LA English DT Article ID DISCHARGES; SIMULATION; TRANSPORT; DATABASE; HYBRID; MODEL AB In order to prepare adequate current ramp-up and ramp-down scenarios for ITER, present experiments from various tokamaks have been analysed by means of integrated modelling in view of determining relevant heat transport models for these operation phases. A set of empirical heat transport models for L-mode (namely, the Bohm-gyroBohm model and scaling based models with a specific fixed radial shape and energy confinement time factors of H(96-L) = 0.6 or H(IPB98) = 0.4) has been validated on a multi-machine experimental dataset for predicting the l(i) dynamics within +/- 0.15 accuracy during current ramp-up and ramp-down phases. Simulations using the Coppi-Tang or GLF23 models (applied up to the LCFS) overestimate or underestimate the internal inductance beyond this accuracy (more than +/- 0.2 discrepancy in some cases). The most accurate heat transport models are then applied to projections to ITER current ramp-up, focusing on the baseline inductive scenario (main heating plateau current of I(p) = 15 MA). These projections include a sensitivity study to various assumptions of the simulation. While the heat transport model is at the heart of such simulations (because of the intrinsic dependence of the plasma resistivity on electron temperature, among other parameters), more comprehensive simulations are required to test all operational aspects of the current ramp-up and ramp-down phases of ITER scenarios. Recent examples of such simulations, involving coupled core transport codes, free-boundary equilibrium solvers and a poloidal field (PF) systems controller are also described, focusing on ITER current ramp-down. C1 [Imbeaux, F.; Basiuk, V.; Garcia, J.; Litaudon, X.; Peysson, Y.; Schneider, M.] IRFM, CEA, F-13108 St Paul Les Durance, France. [Citrin, J.; Hogeweij, G. M. D.] EURATOM, FOM Inst Plasma Phys Rijnhuizen, Nieuwegein, Netherlands. [Hobirk, J.; Pereverzev, G.; Tardini, G.] EURATOM Assoziat, Max Planck Inst Plasmaphys, Garching, Germany. [Koechl, F.] Assoc EURATOM OAW ATI, Vienna, Austria. [Leonov, V. M.; Khayrutdinov, R. R.; Lukash, V. E.; Nunes, I.; Zhogolev, V. E.] RRC Kurchatov Inst, Moscow, Russia. [Miyamoto, S.; Hayashi, N.; Honda, M.] Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan. [Nakamura, Y.] Nippon Adv Technol Co Ltd, Tokai, Ibaraki 3191112, Japan. [Parail, V.; Voitsekhovitch, I.; Lomas, P. J.] EURATOM CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Polevoi, A.; Casper, T.; Gribov, Y. V.] ITER Org, F-13115 St Paul Les Durance, France. [Budny, R.; Kessel, C. E.; Mikkelsen, D.; Politzer, P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Fereira, J.] Assoc Euratom IST, Lisbon, Portugal. [Fukuyama, A.] Kyoto Univ, Sakyo Ku, Kyoto 6068501, Japan. [Hutchinson, I. H.; Wolfe, S. M.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Jackson, G.; Luce, T.] Gen Atom Co, San Diego, CA USA. [Kavin, A. A.] DV Efremov Sci Res Inst Electrophys Apparatus, St Petersburg, Russia. [Labate, C.] Univ Reggio Calabria, Assoc ENEA CREATE, DIMET, I-89100 Calabria, Italy. [Lonnroth, J.] Helsinki Univ Technol, Assoc EURATOM TEKES, FIN-02150 Espoo, Finland. [Mattei, M.] Univ Naples 2, Assoc ENEA CREATE, DIAM, I-81031 Aversa, Italy. RP Imbeaux, F (reprint author), IRFM, CEA, F-13108 St Paul Les Durance, France. EM frederic.imbeaux@cea.fr RI Dumont, Remi/D-3840-2009; Artaud, Jean-Francois/G-8480-2011; Schneider, Mireille/B-7821-2010; ANIEL, Thierry/G-8734-2011; Hutchinson, Ian/D-1136-2009; Imbeaux, Frederic/A-7614-2013; Artaud, Jean-Francois/J-2068-2012; Decker, Joan/B-7779-2010; Nunes, Isabel/D-1627-2017; OI ANIEL, Thierry/0000-0002-2598-9551; Hutchinson, Ian/0000-0003-4276-6576; Decker, Joan/0000-0003-0220-2653; Nunes, Isabel/0000-0003-0542-1982; Mattei, Massimiliano/0000-0001-7951-6584 FU EURATOM FX This work was partly supported by EURATOM and carried out within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. NR 18 TC 22 Z9 22 U1 0 U2 20 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083026 DI 10.1088/0029-5515/51/8/083026 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400027 ER PT J AU Kim, J Yoon, SW Jeon, YM Leuer, JA Eidietis, NW Mueller, D Park, S Nam, YU Chung, J Lee, KD Hahn, SH Bae, YS Kim, WC Oh, YK Yang, HL Park, KR Na, HK AF Kim, Jayhyun Yoon, S. W. Jeon, Y. M. Leuer, J. A. Eidietis, N. W. Mueller, D. Park, S. Nam, Y. U. Chung, J. Lee, K. D. Hahn, S. H. Bae, Y. S. Kim, W. C. Oh, Y. K. Yang, H. L. Park, K. R. Na, H. K. CA KSTAR Team TI Stable plasma start-up in the KSTAR device under various discharge conditions SO NUCLEAR FUSION LA English DT Article ID TOKAMAK; DESIGN AB A time series of static nonlinear ferromagnetic calculations was performed to mimic the time-dependent modelling of plasma start-up by assessing the effects of the ferromagnetic Incoloy 908 used in the superconducting coil jackets of the Korea Superconducting Tokamak Advanced Research (KSTAR) device. Time-series calculations of a two-dimensional axisymmetric circuit model with nonlinear ferromagnetic effects enabled us to find appropriate waveforms for the KSTAR poloidal field coil currents that satisfied various start-up requirements, such as the formation and sustainment of field nulls, a sufficient amount of magnetic flux for further plasma current ramp-up, sufficiently large E(t) . B(t)/B(perpendicular to) > 1 kV m(-1) contours for successful breakdown, plasma current toroidal equilibria, etc. In addition to the aforementioned requirements, the results introduced in this report also provided the positional stability of the plasma current channel against radial as well as vertical perturbations by compensating the field deformation originating from the ferromagnetic effects. With the improved positional stability, robust plasma start-up was achieved during the 2010 KSTAR campaign under various discharge conditions such as the recovery process from plasma disruptions. C1 [Kim, Jayhyun; Yoon, S. W.; Jeon, Y. M.; Nam, Y. U.; Chung, J.; Lee, K. D.; Hahn, S. H.; Bae, Y. S.; Kim, W. C.; Oh, Y. K.; Yang, H. L.; Park, K. R.; Na, H. K.] Natl Fus Res Inst, Taejon 305333, South Korea. [Leuer, J. A.; Eidietis, N. W.] Gen Atom Co, San Diego, CA 92186 USA. [Mueller, D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Park, S.] Pohang Univ Sci & Technol, Pohang 790784, Gyungbuk, South Korea. RP Kim, J (reprint author), Natl Fus Res Inst, Gwahangno 113, Taejon 305333, South Korea. EM jayhyunkim@nfri.re.kr NR 15 TC 10 Z9 10 U1 0 U2 3 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083034 DI 10.1088/0029-5515/51/8/083034 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400035 ER PT J AU Kinsey, JE Staebler, GM Candy, J Waltz, RE Budny, RV AF Kinsey, J. E. Staebler, G. M. Candy, J. Waltz, R. E. Budny, R. V. TI ITER predictions using the GYRO verified and experimentally validated trapped gyro-Landau fluid transport model SO NUCLEAR FUSION LA English DT Article ID H-MODE; DENSITY PEAKING; DIII-D; COLLISIONALITY; JET; SIMULATIONS; SCALINGS; DATABASE AB The trapped gyro-Landau fluid (TGLF) transport model computes the quasilinear particle and energy driftwave fluxes in tokamaks with shaped geometry, finite aspect ratio and collisions. The TGLF particle and energy fluxes have been successfully verified against a large database of collisionless nonlinear gyrokinetic simulations using the GYRO code. Using a new collision model in TGLF, we find remarkable agreement between the TGLF quasilinear fluxes and 64 new GYRO nonlinear simulations with electron-ion collisions. In validating TGLF against DIII-D and JET H-mode and hybrid discharges we find the temperature and density profiles are in excellent agreement with the measured profiles. ITER projections using TGLF show that the fusion gains are somewhat more pessimistic than the previous GLF23 results primarily due to finite aspect ratio effects included only in TGLF. The synergistic effects of density peaking, finite beta and E x B shear due to finite toroidal rotation lead to significant increases in fusion power above a reduced physics ITER base case. The TGLF results for ITER are confirmed using nonlinear GYRO simulations in place of TGLF to predict the temperature profiles within the TGYRO transport code. These results represent a snapshot of the ongoing effort to improve the TGLF model, validate it against experimental data, and make predictions for ITER. C1 [Kinsey, J. E.; Staebler, G. M.; Candy, J.; Waltz, R. E.] Gen Atom Co, San Diego, CA 92186 USA. [Budny, R. V.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Kinsey, JE (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM kinsey@fusion.gat.com FU US Department of Energy [DE-FG03-95ER54309, DE-FG03-92ER54141, DE-AC02-09CH11466] FX This work was supported by the US Department of Energy under DE-FG03-95ER54309, DE-FG03-92ER54141 and DE-AC02-09CH11466. We thank the DIII-D and JET experimental teams for providing the profile data. The GYRO simulations were made possible through generous allotments of computer time at NERSC and ORNL. NR 35 TC 48 Z9 48 U1 0 U2 12 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083001 DI 10.1088/0029-5515/51/8/083001 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400002 ER PT J AU Kojima, A Hanada, M Tanaka, Y Kawai, M Akino, N Kazawa, M Komata, M Mogaki, K Usui, K Sasaki, S Kikuchi, K Seki, N Nemoto, S Oshima, K Simizu, T Kubo, N Oasa, K Inoue, T Watanabe, K Taniguchi, M Kashiwagi, M Tobari, H Umeda, N Kobayashi, S Yamano, Y Grisham, LR AF Kojima, A. Hanada, M. Tanaka, Y. Kawai, M. Akino, N. Kazawa, M. Komata, M. Mogaki, K. Usui, K. Sasaki, S. Kikuchi, K. Seki, N. Nemoto, S. Oshima, K. Simizu, T. Kubo, N. Oasa, K. Inoue, T. Watanabe, K. Taniguchi, M. Kashiwagi, M. Tobari, H. Umeda, N. Kobayashi, S. Yamano, Y. Grisham, L. R. TI Achievement of 500 keV negative ion beam acceleration on JT-60U negative-ion-based neutral beam injector SO NUCLEAR FUSION LA English DT Article ID RESEARCH-AND-DEVELOPMENT; NBI SYSTEM; ITER; PERFORMANCE; IMPROVEMENT; VACUUM AB Hydrogen negative ion beams of 507 keV, 1A and 486 keV, 2.8A have been successfully produced in the JT-60U negative ion source with a three-stage accelerator by overcoming a poor voltage holding of the accelerator with large-size grids of similar to 2 m(2). This is the first result of H(-) beam acceleration up to 500 keV at a high current of over 1A. In order to improve the voltage holding capability, the breakdown voltages of the large-size grids and small-size electrodes with uniform and locally strong electric fields were examined by changing the gap length. It was found that the voltage holding of the large-size grids was below half of that of the small-size electrodes with a uniform electric field which was used in the design of the accelerator. This degradation was found to be caused by the local electric field concentrations in addition to the size. Based on the results of the voltage holding tests and beam optics calculations, the gap lengths of the large-size grids were tuned to have a capability to sustain 600 kV. As a result, the gap tuning realized stable voltage holding during beam accelerations without significant degradations of the beam optics and stripping loss. These results indicated that stable 500 keV beam accelerations required for JT-60SA are feasible and this gap tuning is also applicable for the design of ITER accelerator. C1 [Kojima, A.; Hanada, M.; Tanaka, Y.; Kawai, M.; Akino, N.; Kazawa, M.; Komata, M.; Mogaki, K.; Usui, K.; Sasaki, S.; Kikuchi, K.; Seki, N.; Nemoto, S.; Oshima, K.; Simizu, T.; Kubo, N.; Oasa, K.; Inoue, T.; Watanabe, K.; Taniguchi, M.; Kashiwagi, M.; Tobari, H.; Umeda, N.] Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan. [Kobayashi, S.; Yamano, Y.] Saitama Univ, Grad Sch Sci & Engn, Saitama 3388570, Japan. [Grisham, L. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Kojima, A (reprint author), Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan. EM kojima.atsushi@jaea.go.jp FU JT-60 team FX The authors are much indebted to the JT-60 team for their support and also DrY. Ikeda, Dr K. Kurihara and Dr M. Kikuchi for their continuous encouragement. NR 26 TC 19 Z9 19 U1 1 U2 3 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083049 DI 10.1088/0029-5515/51/8/083049 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400050 ER PT J AU Kumar, STA Blackwell, BD Howard, J Harris, JH AF Kumar, S. T. A. Blackwell, B. D. Howard, J. Harris, J. H. TI Spontaneous transition of core radial electric field driven by magnetic islands in the H-1NF heliac SO NUCLEAR FUSION LA English DT Article ID INTERNAL TRANSPORT BARRIER; CONFINEMENT BIFURCATIONS; TJ-II; TOKAMAK; PLASMA; MODE; STELLARATOR; SHEAR; CONFIGURATION; GENERATION AB This paper reports an experimental observation of spontaneous transition of the core radial electric field to a large positive value (E(r) similar to 5 kV m(-1)), with a strong electric-field shear (similar to 700 kV m(-2)) in a low temperature (T(e) similar to 10 eV) radio frequency generated argon plasma in the H-1NF heliac stellarator. The transition, which seems to be driven by a spontaneous excitation of m = 2 magnetic islands near the core, is associated with a localized increase in the plasma density and excitation of coherent low frequency (similar to 3 kHz) oscillations possibly due to unstable E(r) shear driven modes. Evidence suggests development of the core electron-root scenario, which previously has been observed only at high temperature electron cyclotron heated plasmas. C1 [Kumar, S. T. A.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Blackwell, B. D.; Howard, J.] Australian Natl Univ, Res Sch Phys Sci & Engn, Plasma Res Lab, Canberra, ACT, Australia. [Harris, J. H.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Kumar, STA (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM stkumar@wisc.edu RI Kumar, Santhosh/H-2620-2013; Kumar, Santhosh/A-1331-2008; Blackwell, Boyd/M-2717-2015 OI Kumar, Santhosh/0000-0002-6444-5178; Blackwell, Boyd/0000-0002-9091-9269 FU Australian Research Council [DP0344361]; US department of energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX The authors would like to thank Michael Shats for valuable discussions and the H-1NF team for experimental operations. This work was performed on the H-1NF National Plasma Fusion Research Facility established by the Australian Government, and operated by the Australian National University. This research was supported in part by the Australian Research Council Grant DP0344361 and the US department of energy under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 31 TC 0 Z9 0 U1 0 U2 0 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083003 DI 10.1088/0029-5515/51/8/083003 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400004 ER PT J AU Salewski, M Nielsen, SK Bindslev, H Furtula, V Gorelenkov, NN Korsholm, SB Leipold, F Meo, F Michelsen, PK Moseev, D Stejner, M AF Salewski, M. Nielsen, S. K. Bindslev, H. Furtula, V. Gorelenkov, N. N. Korsholm, S. B. Leipold, F. Meo, F. Michelsen, P. K. Moseev, D. Stejner, M. TI On velocity space interrogation regions of fast-ion collective Thomson scattering at ITER SO NUCLEAR FUSION LA English DT Article ID ALPHA-PARTICLE PHYSICS; ENERGETIC PARTICLES; FUSION PLASMAS; CHAPTER 5; TOKAMAK; JET; INSTABILITIES; DISTRIBUTIONS; REACTOR; DESIGN AB The collective Thomson scattering (CTS) diagnostic proposed for ITER is designed to measure projected 1D fast-ion velocity distribution functions at several spatial locations simultaneously. The frequency shift of scattered radiation and the scattering geometry place fast ions that caused the collective scattering in well-defined regions in velocity space, here dubbed interrogation regions. Since the CTS instrument measures entire spectra of scattered radiation, many different interrogation regions are probed simultaneously. We here give analytic expressions for weight functions describing the interrogation regions, and we show typical interrogation regions of the proposed ITER CTS system. The backscattering system with receivers on the low-field side is sensitive to fast ions with pitch |p| = |nu(parallel to)/nu| < 0.5-0.9 depending on the ion energy and the frequency shift of the scattered radiation. A forward scattering system with receivers on the high-field side would be sensitive to co- and counter-passing fast ions in narrow interrogation regions with pitch |p| > 0.6-0.8. Additionally, we use weight functions to reconstruct 2D fast-ion distribution functions, given two projected 1D velocity distribution functions from simulated simultaneous measurements with the back-and forward scattering systems. C1 [Salewski, M.; Nielsen, S. K.; Bindslev, H.; Furtula, V.; Korsholm, S. B.; Leipold, F.; Meo, F.; Michelsen, P. K.; Moseev, D.; Stejner, M.] Tech Univ Denmark, EURATOM Assoc, Riso Natl Lab Sustainable Energy, DK-4000 Roskilde, Denmark. [Gorelenkov, N. N.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Salewski, M (reprint author), Tech Univ Denmark, EURATOM Assoc, Riso Natl Lab Sustainable Energy, DK-4000 Roskilde, Denmark. EM msal@risoe.dtu.dk RI Michelsen, Poul/A-3866-2012; Meo, Fernando/A-3937-2012; Korsholm, Soren/A-4234-2012; nielsen, stefan/G-6300-2013; Salewski, Mirko/C-7104-2008; Stejner, Morten/J-8218-2016; leipold, frank/A-3216-2012 OI Michelsen, Poul/0000-0001-7409-0131; Korsholm, Soren/0000-0001-7160-8361; nielsen, stefan/0000-0003-4175-3829; Salewski, Mirko/0000-0002-3699-679X; Stejner, Morten/0000-0003-1300-8135; FU European Communities FX This work supported by the European Communities under the contract of Association between Euratom and Riso DTU was partly carried out within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. We acknowledge the discussions on this topic within the Integrated Tokamak Modelling Activities (ITPA) Group for Energetic Particles which initiated this study. NR 46 TC 34 Z9 34 U1 0 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083014 DI 10.1088/0029-5515/51/8/083014 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400015 ER PT J AU Suzuki, T Akers, RJ Gates, DA Gunter, S Heidbrink, WW Hobirk, J Luce, TC Murakami, M Park, JM Turnyanskiy, M AF Suzuki, T. Akers, R. J. Gates, D. A. Guenter, S. Heidbrink, W. W. Hobirk, J. Luce, T. C. Murakami, M. Park, J. M. Turnyanskiy, M. CA ITPA Integrated Operation Scenario TI Experimental investigation and validation of neutral beam current drive for ITER through ITPA Joint Experiments SO NUCLEAR FUSION LA English DT Article ID TOKAMAK; TRANSPORT; JT-60U; NBI AB Joint experiments investigating the off-axis neutral beam current drive (NBCD) capability to be utilized for advanced operation scenario development in ITER were conducted in four tokamaks (ASDEX Upgrade (AUG), DIII-D, JT-60U and MAST) through the international tokamak physics activity (ITPA). The following results were obtained in the joint experiments, where the toroidal field, B(t), covered 0.4-3.7 T, the plasma current, I(p), 0.5-1.2 MA, and the beam energy, E(b), 65-350 keV. A current profile broadened by off-axis NBCD was observed in MAST. In DIII-D and JT-60U, the NB driven current profile has been evaluated using motional Stark effect diagnostics and good agreement between the measured and calculated NB driven current profile was observed. In AUG (at low delta similar to 0.2) and DIII-D, introduction of a fast-ion diffusion coefficient of D(b) similar to 0.3-0.5 m(2) s(-1) in the calculation gave better agreement at high heating power (5 MW and 7.2 MW, respectively), suggesting anomalous transport of fast ions by turbulence. It was found through these ITPA joint experiments that NBCD related physics quantities reasonably agree with calculations (with D(b) = 0-0.5 m(2) s(-1)) in all devices when there is no magnetohydrodynamic (MHD) activity except ELMs. Proximity of measured off-axis beam driven current to the corresponding calculation with D(b) = 0 has been discussed for ITER in terms of a theoretically predicted scaling of fast-ion diffusion that depends on E(b)/T(e) for electrostatic turbulence or beta(t) for electromagnetic turbulence. C1 [Suzuki, T.] Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan. [Akers, R. J.; Turnyanskiy, M.] CCFE EURATOM Fus Assoc, Culham Sci Ctr, Abingdon, Oxon, England. [Gates, D. A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Guenter, S.; Hobirk, J.] Max Planck Inst Plasma Phys, EURATOM Assoc, D-85748 Garching, Germany. [Heidbrink, W. W.] Univ Calif Irvine, Irvine, CA 92697 USA. [Luce, T. C.] Gen Atom Co, San Diego, CA 92186 USA. [Murakami, M.; Park, J. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Suzuki, T (reprint author), Japan Atom Energy Agcy, 801-1 Mukoyama, Naka, Ibaraki 3110193, Japan. EM suzuki.takahiro@jaea.go.jp NR 28 TC 12 Z9 12 U1 0 U2 9 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083020 DI 10.1088/0029-5515/51/8/083020 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400021 ER PT J AU Urban, J Decker, J Peysson, Y Preinhaelter, J Shevchenko, V Taylor, G Vahala, L Vahala, G AF Urban, Jakub Decker, Joan Peysson, Yves Preinhaelter, Josef Shevchenko, Vladimir Taylor, Gary Vahala, Linda Vahala, George TI A survey of electron Bernstein wave heating and current drive potential for spherical tokamaks SO NUCLEAR FUSION LA English DT Article ID INHOMOGENEOUS-PLASMA; MODE CONVERSION; EMISSION AB The electron Bernstein wave (EBW) is typically the only wave in the electron cyclotron (EC) range that can be applied in spherical tokamaks for heating and current drive (H&CD). Spherical tokamaks (STs) operate generally in high-beta regimes, in which the usual EC O- and X-modes are cut off. In this case, EBWs seem to be the only option that can provide features similar to the EC waves-controllable localized H&CD that can be used for core plasma heating as well as for accurate plasma stabilization. The EBW is a quasi-electrostatic wave that can be excited by mode conversion from a suitably launched O- or X-mode; its propagation further inside the plasma is strongly influenced by the plasma parameters. These rather awkward properties make its application somewhat more difficult. In this paper we perform an extensive numerical study of EBW H&CD performance in four typical ST plasmas (NSTX L-and H-mode, MAST Upgrade, NHTX). Coupled ray-tracing (AMR) and Fokker-Planck (LUKE) codes are employed to simulate EBWs of varying frequencies and launch conditions, which are the fundamental EBW parameters that can be chosen and controlled. Our results indicate that an efficient and universal EBW H&CD system is indeed viable. In particular, power can be deposited and current reasonably efficiently driven across the whole plasma radius. Such a system could be controlled by a suitably chosen launching antenna vertical position and would also be sufficiently robust. C1 [Urban, Jakub; Preinhaelter, Josef] Assoc EURATOM IPP CR, Inst Plasma Phys AS CR, Vvi, Prague, Czech Republic. [Decker, Joan; Peysson, Yves] CEA, IRFM, F-13108 St Paul Les Durance, France. [Shevchenko, Vladimir] EURATOM CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Taylor, Gary] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Vahala, Linda] Old Dominion Univ, Frank Batten Coll Engn & Technol, Norfolk, VA 23529 USA. [Vahala, George] Coll William & Mary, Williamsburg, VA 23185 USA. RP Urban, J (reprint author), Assoc EURATOM IPP CR, Inst Plasma Phys AS CR, Vvi, Prague, Czech Republic. EM urban@ipp.cas.cz RI Preinhaelter, Josef/H-1394-2014; Urban, Jakub/B-5541-2008; Decker, Joan/B-7779-2010 OI Urban, Jakub/0000-0002-1796-3597; Decker, Joan/0000-0003-0220-2653 FU Czech Science Foundation [202/08/0419]; Academy of Sciences of the Czech Republic IRP [AV0Z20430508]; Ministry of Education, Youth and Sports CR [7G10072]; US Department of Energy [DE-AC02-09CH11466]; European Communities [FU07-CT-2007-00060]; Euratom; CEA FX This work was supported by the grant no 202/08/0419 of Czech Science Foundation, the Academy of Sciences of the Czech Republic IRP #AV0Z20430508, the Ministry of Education, Youth and Sports CR #7G10072, US Department of Energy DE-AC02-09CH11466 and European Communities under the contract of Association between EURATOM/IPP.CR No FU07-CT-2007-00060 and under the contract of Association between Euratom and CEA and carried out within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 48 TC 11 Z9 11 U1 0 U2 6 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083050 DI 10.1088/0029-5515/51/8/083050 PG 15 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400051 ER PT J AU Wallace, GM Hubbard, AE Bonoli, PT Faust, IC Harvey, RW Hughes, JW LaBombard, BL Meneghini, O Parker, RR Schmidt, AE Shiraiwa, S Smirnov, AP Whyte, DG Wilson, JR Wright, JC Wukitch, SJ AF Wallace, G. M. Hubbard, A. E. Bonoli, P. T. Faust, I. C. Harvey, R. W. Hughes, J. W. LaBombard, B. L. Meneghini, O. Parker, R. R. Schmidt, A. E. Shiraiwa, S. Smirnov, A. P. Whyte, D. G. Wilson, J. R. Wright, J. C. Wukitch, S. J. CA Alcator C-Mod Team TI Lower hybrid current drive at high density in Alcator C-Mod SO NUCLEAR FUSION LA English DT Article ID TOKAMAK; WAVES; FREQUENCIES; ABSORPTION; CYCLOTRON AB Experimental observations of lower hybrid current drive (LHCD) at high density on the Alcator C-Mod tokamak are presented in this paper. Bremsstrahlung emission from relativistic fast electrons in the core plasma drops suddenly above line-averaged densities of 10(20) m(-3) (omega/omega(LH) similar to 3) in single null discharges with large (>= 8 mm) inner gaps, well below the density limit previously observed on limited tokamaks (omega/omega(LH) similar to 2). Modelling and experimental evidence suggest that the absence of LHCD driven fast electrons at high density may be due to parasitic collisional absorption in the scrape-off layer (SOL). Experiments show that the population of fast electrons produced by LHCD at high density ((n) over bar (e) > 10(20) m(-3)) can be increased by operating with an inner gap of less than similar to 5mm with the strongest non-thermal emission in inner wall limited plasmas. A change in plasma topology from single to double null produces a modest increase in non-thermal emission at high density. Increasing the electron temperature in the periphery of the plasma (0.8 > r/a > 1.0) also results in a modest increase in non-thermal electron emission above the density limit. Ray tracing/Fokker-Planck simulations of these discharges predict the observed sensitivity to plasma position when the effects of collisional absorption in the SOL are included in the model. C1 [Wallace, G. M.; Hubbard, A. E.; Bonoli, P. T.; Faust, I. C.; Hughes, J. W.; LaBombard, B. L.; Meneghini, O.; Parker, R. R.; Schmidt, A. E.; Shiraiwa, S.; Whyte, D. G.; Wright, J. C.; Wukitch, S. J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Harvey, R. W.; Smirnov, A. P.] CompX, Del Mar, CA 92014 USA. [Wilson, J. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Wallace, GM (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM wallaceg@mit.edu RI Smirnov, Alexander /A-4886-2014 FU USDOE [DE-FC02-99ER54512, DE-AC02-76CH03073] FX The authors would like to thank the C-Mod LHCD engineering team for their efforts. This work supported by USDOE awards DE-FC02-99ER54512 and DE-AC02-76CH03073. NR 26 TC 35 Z9 35 U1 3 U2 13 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD AUG PY 2011 VL 51 IS 8 AR 083032 DI 10.1088/0029-5515/51/8/083032 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 818DD UT WOS:000294729400033 ER PT J AU Gilboa, SM Broussard, CS Devine, O Duwe, KN Flak, AL Boulet, SL Moore, CA Werler, MM Honein, MA AF Gilboa, Suzanne M. Broussard, Cheryl S. Devine, Owen Duwe, Kara N. Flak, Audrey L. Boulet, Sheree L. Moore, Cynthia A. Werler, Martha M. Honein, Margaret A. TI Simulation Model of Annual Spina Bifida Cases Preventable in Absence of Prenatal Valproate Use SO PHARMACOEPIDEMIOLOGY AND DRUG SAFETY LA English DT Meeting Abstract C1 [Gilboa, Suzanne M.; Broussard, Cheryl S.; Devine, Owen; Duwe, Kara N.; Flak, Audrey L.; Boulet, Sheree L.; Moore, Cynthia A.; Honein, Margaret A.] Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA USA. [Flak, Audrey L.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Werler, Martha M.] Boston Univ, Slone Epidemiol Ctr, Boston, MA 02215 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1053-8569 J9 PHARMACOEPIDEM DR S JI Pharmacoepidemiol. Drug Saf. PD AUG PY 2011 VL 20 SU 1 MA 290 BP S126 EP S126 PG 1 WC Public, Environmental & Occupational Health; Pharmacology & Pharmacy SC Public, Environmental & Occupational Health; Pharmacology & Pharmacy GA 821AG UT WOS:000294946600280 ER PT J AU Kim, KH Lee, CT Lee, CB Fielding, RS Kennedy, JR AF Kim, Ki Hwan Lee, Chong Tak Lee, Chan Bock Fielding, R. S. Kennedy, J. R. TI Characterization of ceramic plasma-sprayed coatings, and interaction studies between U-Zr fuel and ceramic coated interface at an elevated temperature SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT Joint Meeting of the 10th Asia-Pacific Conference on Plasma Science and Technology (APCPST 2010)/153rd Symposium on Plasma Science for Materials (SPSM 2010) CY JUL 04-08, 2010 CL Jeju, SOUTH KOREA SP ICD, Edward Korea, DAS, Jusung Engn, KSM, PLASMART, ADP Engn, DMS DE Metallic fuel; Ceramic crucible; Plasma-sprayed coating; Thermal cycling; Interaction AB Candidate coating materials for re-usable metallic nuclear fuel crucibles, HEN, TiC, ZrC, and Y2O3, were plasma-sprayed onto niobium substrates. The coating microstructure and the thermal cycling behavior were characterized, and U-Zr melt interaction studies carried out. The Y2O3 coating layer had a uniform thickness and was well consolidated with a few small pores scattered throughout. While the HEN coating was not well consolidated with a considerable amount of porosity, but showed somewhat uniform thickness. Thermal cycling tests on the HEN, TiC, ZrC, and Y2O3 coatings showed good cycling characteristics with no interconnected cracks forming even after 20 cycles. Interaction studies done on the coated samples by dipping into a U-20wt.%Zr melt indicated that HEN and Y2O3 did not form significant reaction layers between the melt and the coating while the TiC and the ZrC coatings were significantly degraded. Y2O3 exhibited the most promising performance among HEN, TiC, ZrC, and Y2O3 coatings. (C) 2011 Elsevier B.V. All rights reserved. C1 [Kim, Ki Hwan; Lee, Chong Tak; Lee, Chan Bock] Korea Atom Energy Res Inst, Recycled Fuel Technol Dev Div, Taejon 305353, South Korea. [Fielding, R. S.; Kennedy, J. R.] Idaho Natl Lab, Nucl Fuel & Mat Div, Idaho Falls, ID 83415 USA. RP Kim, KH (reprint author), Korea Atom Energy Res Inst, Recycled Fuel Technol Dev Div, Taejon 305353, South Korea. EM khkim2@kaeri.re.kr NR 12 TC 7 Z9 7 U1 0 U2 7 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 AUG 1 PY 2011 VL 519 IS 20 SI SI BP 6969 EP 6973 DI 10.1016/j.tsf.2011.01.209 PG 5 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 818XV UT WOS:000294790900072 ER PT J AU Brzezinski, K Baj, A Walejko, P Witkowski, S Dauter, Z AF Brzezinski, Krzysztof Baj, Aneta Walejko, Piotr Witkowski, Stanislaw Dauter, Zbigniew TI 6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carbonitrile , from synchrotron data SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article AB The crystal structure of the title compound, C14H17NO2, solved and refined against synchrotron diffraction data, contains one formula unit in an asymmetric unit. In the crystal, molecules form right-handed helices located at the 2(1) screw axis parallel to the a-axis direction, generated by O-H center dot center dot center dot N hydrogen bonding between the hydroxy group and carbonitrile group of an adjacent molecule. C1 [Brzezinski, Krzysztof; Dauter, Zbigniew] NCI, Synchrotron Radiat Res Sect, MCL, Argonne Natl Lab,Biosci Div, Argonne, IL 60439 USA. [Baj, Aneta; Walejko, Piotr; Witkowski, Stanislaw] Univ Bialystok, Inst Chem, PL-15443 Bialystok, Poland. RP Brzezinski, K (reprint author), NCI, Synchrotron Radiat Res Sect, MCL, Argonne Natl Lab,Biosci Div, Bldg 202, Argonne, IL 60439 USA. EM kbrzezinski@anl.gov FU NIH, National Cancer Institute, Center for Cancer Research; US Department of Energy [W-31-109-Eng-38] FX This work was supported in part by the Intramural Research Program of the NIH, National Cancer Institute, Center for Cancer Research. X-ray data were collected at Southeast Regional Collaborative Access Team (SER-CAT) 22-ID beamline at the Advanced Photon Source, Argonne National Laboratory. Use of the APS was supported by the US Department of Energy under contract No. W-31-109-Eng-38. NR 9 TC 1 Z9 1 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD AUG PY 2011 VL 67 BP O1901 EP U1787 DI 10.1107/S1600536811025517 PN 8 PG 13 WC Crystallography SC Crystallography GA 816PF UT WOS:000294613900146 PM 22090952 ER PT J AU Aihara, H Prieto, CA An, D Anderson, SF Aubourg, E Balbinot, E Beers, TC Berlind, AA Bickerton, SJ Bizyaev, D Blanton, MR Bochanski, JJ Bolton, AS Bovy, J Brandt, WN Brinkmann, J Brown, PJ Brownstein, JR Busca, NG Campbell, H Carr, MA Chen, YM Chiappini, C Comparat, J Connolly, N Cortes, M Croft, RAC Cuesta, AJ da Costa, LN Davenport, JRA Dawson, K Dhital, S Ealet, A Ebelke, GL Edmondson, EM Eisenstein, DJ Escoffier, S Esposito, M Evans, ML Fan, XH Castella, BF Font-Ribera, A Frinchaboy, PM Ge, J Gillespie, BA Gilmore, G Hernandez, JIG Gott, JR Gould, A Grebel, EK Gunn, JE Hamilton, JC Harding, P Harris, DW Hawley, SL Hearty, FR Ho, S Hogg, DW Holtzman, JA Honscheid, K Inada, N Ivans, II Jiang, LH Johnson, JA Jordan, C Jordan, WP Kazin, EA Kirkby, D Klaene, MA Knapp, GR Kneib, JP Kochanek, CS Koesterke, L Kollmeier, JA Kron, RG Lampeitl, H Lang, D Le Goff, JM Lee, YS Lin, YT Long, DC Loomis, CP Lucatello, S Lundgren, B Lupton, RH Ma, ZB MacDonald, N Mahadevan, S Maia, MAG Makler, M Malanushenko, E Malanushenko, V Mandelbaum, R Maraston, C Margala, D Masters, KL McBride, CK McGehee, PM McGreer, ID Menard, B Miralda-Escude, J Morrison, HL Mullally, F Muna, D Munn, JA Murayama, H Myers, AD Naugle, T Neto, AF Nguyen, DC Nichol, RC O'Connell, RW Ogando, RLC Olmstead, MD Oravetz, DJ Padmanabhan, N Palanque-Delabrouille, N Pan, KK Pandey, P Paris, I Percival, WJ Petitjean, P Pfaffenberger, R Pforr, J Phleps, S Pichon, C Pieri, MM Prada, F Price-Whelan, AM Raddick, MJ Ramos, BHF Reyle, C Rich, J Richards, GT Rix, HW Robin, AC Rocha-Pinto, HJ Rockosi, CM Roe, NA Rollinde, E Ross, AJ Ross, NP Rossetto, BM Sanchez, AG Sayres, C Schlegel, DJ Schlesinger, KJ Schmidt, SJ Schneider, DP Sheldon, E Shu, YP Simmerer, J Simmons, AE Sivarani, T Snedden, SA Sobeck, JS Steinmetz, M Strauss, MA Szalay, AS Tanaka, M Thakar, AR Thomas, D Tinker, JL Tofflemire, BM Tojeiro, R Tremonti, CA Vandenberg, J Magana, MV Verde, L Vogt, NP Wake, DA Wang, J Weaver, BA Weinberg, DH White, M White, SDM Yanny, B Yasuda, N Yeche, C Zehavi, I AF Aihara, Hiroaki Allende Prieto, Carlos An, Deokkeun Anderson, Scott F. Aubourg, Eric Balbinot, Eduardo Beers, Timothy C. Berlind, Andreas A. Bickerton, Steven J. Bizyaev, Dmitry Blanton, Michael R. Bochanski, John J. Bolton, Adam S. Bovy, Jo Brandt, W. N. Brinkmann, J. Brown, Peter J. Brownstein, Joel R. Busca, Nicolas G. Campbell, Heather Carr, Michael A. Chen, Yanmei Chiappini, Cristina Comparat, Johan Connolly, Natalia Cortes, Marina Croft, Rupert A. C. Cuesta, Antonio J. da Costa, Luiz N. Davenport, James R. A. Dawson, Kyle Dhital, Saurav Ealet, Anne Ebelke, Garrett L. Edmondson, Edward M. Eisenstein, Daniel J. Escoffier, Stephanie Esposito, Massimiliano Evans, Michael L. Fan, Xiaohui Femenia Castella, Bruno Font-Ribera, Andreu Frinchaboy, Peter M. Ge, Jian Gillespie, Bruce A. Gilmore, G. Gonzalez Hernandez, Jonay I. Gott, J. Richard Gould, Andrew Grebel, Eva K. Gunn, James E. Hamilton, Jean-Christophe Harding, Paul Harris, David W. Hawley, Suzanne L. Hearty, Frederick R. Ho, Shirley Hogg, David W. Holtzman, Jon A. Honscheid, Klaus Inada, Naohisa Ivans, Inese I. Jiang, Linhua Johnson, Jennifer A. Jordan, Cathy Jordan, Wendell P. Kazin, Eyal A. Kirkby, David Klaene, Mark A. Knapp, G. R. Kneib, Jean-Paul Kochanek, C. S. Koesterke, Lars Kollmeier, Juna A. Kron, Richard G. Lampeitl, Hubert Lang, Dustin Le Goff, Jean-Marc Lee, Young Sun Lin, Yen-Ting Long, Daniel C. Loomis, Craig P. Lucatello, Sara Lundgren, Britt Lupton, Robert H. Ma, Zhibo MacDonald, Nicholas Mahadevan, Suvrath Maia, Marcio A. G. Makler, Martin Malanushenko, Elena Malanushenko, Viktor Mandelbaum, Rachel Maraston, Claudia Margala, Daniel Masters, Karen L. McBride, Cameron K. McGehee, Peregrine M. McGreer, Ian D. Menard, Brice Miralda-Escude, Jordi Morrison, Heather L. Mullally, F. Muna, Demitri Munn, Jeffrey A. Murayama, Hitoshi Myers, Adam D. Naugle, Tracy Neto, Angelo Fausti Duy Cuong Nguyen Nichol, Robert C. O'Connell, Robert W. Ogando, Ricardo L. C. Olmstead, Matthew D. Oravetz, Daniel J. Padmanabhan, Nikhil Palanque-Delabrouille, Nathalie Pan, Kaike Pandey, Parul Paris, Isabelle Percival, Will J. Petitjean, Patrick Pfaffenberger, Robert Pforr, Janine Phleps, Stefanie Pichon, Christophe Pieri, Matthew M. Prada, Francisco Price-Whelan, Adrian M. Raddick, M. Jordan Ramos, Beatriz H. F. Reyle, Celine Rich, James Richards, Gordon T. Rix, Hans-Walter Robin, Annie C. Rocha-Pinto, Helio J. Rockosi, Constance M. Roe, Natalie A. Rollinde, Emmanuel Ross, Ashley J. Ross, Nicholas P. Rossetto, Bruno M. Sanchez, Ariel G. Sayres, Conor Schlegel, David J. Schlesinger, Katharine J. Schmidt, Sarah J. Schneider, Donald P. Sheldon, Erin Shu, Yiping Simmerer, Jennifer Simmons, Audrey E. Sivarani, Thirupathi Snedden, Stephanie A. Sobeck, Jennifer S. Steinmetz, Matthias Strauss, Michael A. Szalay, Alexander S. Tanaka, Masayuki Thakar, Aniruddha R. Thomas, Daniel Tinker, Jeremy L. Tofflemire, Benjamin M. Tojeiro, Rita Tremonti, Christy A. Vandenberg, Jan Magana, M. Vargas Verde, Licia Vogt, Nicole P. Wake, David A. Wang, Ji Weaver, Benjamin A. Weinberg, David H. White, Martin White, Simon D. M. Yanny, Brian Yasuda, Naoki Yeche, Christophe Zehavi, Idit TI THE EIGHTH DATA RELEASE OF THE SLOAN DIGITAL SKY SURVEY: FIRST DATA FROM SDSS-III (vol 193, pg 29, 2011) SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Correction ID CATALOG C1 [Aihara, Hiroaki; Lin, Yen-Ting; Menard, Brice; Murayama, Hitoshi; Tanaka, Masayuki; Yasuda, Naoki] Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778583, Japan. [Allende Prieto, Carlos; Esposito, Massimiliano; Femenia Castella, Bruno; Gonzalez Hernandez, Jonay I.] Inst Astrofis Canarias, E-38205 Tenerife, Spain. [Allende Prieto, Carlos; Esposito, Massimiliano; Femenia Castella, Bruno] Univ La Laguna, Dept Astrofis, E-38206 Tenerife, Spain. [An, Deokkeun] Ewha Womans Univ, Dept Sci Educ, Seoul 120750, South Korea. [Anderson, Scott F.; Davenport, James R. A.; Evans, Michael L.; Hawley, Suzanne L.; MacDonald, Nicholas; Sayres, Conor; Schmidt, Sarah J.; Tofflemire, Benjamin M.] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Aubourg, Eric; Busca, Nicolas G.; Hamilton, Jean-Christophe; Magana, M. Vargas] Univ Paris Diderot, Astroparticule & Cosmol APC, F-75205 Paris 13, France. [Aubourg, Eric; Le Goff, Jean-Marc; Palanque-Delabrouille, Nathalie; Rich, James; Yeche, Christophe] CEA, Ctr Saclay, Irfu SPP, F-91191 Gif Sur Yvette, France. [Balbinot, Eduardo; Neto, Angelo Fausti] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil. [Balbinot, Eduardo; Chiappini, Cristina; da Costa, Luiz N.; Maia, Marcio A. G.; Makler, Martin; Neto, Angelo Fausti; Ogando, Ricardo L. C.; Ramos, Beatriz H. F.; Rocha-Pinto, Helio J.; Rossetto, Bruno M.] Lab Interinst E Astron LIneA, BR-20921400 Rio De Janeiro, Brazil. [Beers, Timothy C.; Lee, Young Sun] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Beers, Timothy C.; Lee, Young Sun] Michigan State Univ, JINA Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. [Berlind, Andreas A.; Dhital, Saurav; McBride, Cameron K.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Bickerton, Steven J.; Carr, Michael A.; Gott, J. Richard; Gunn, James E.; Knapp, G. R.; Lang, Dustin; Loomis, Craig P.; Lupton, Robert H.; Mandelbaum, Rachel; Mullally, F.; Strauss, Michael A.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Bizyaev, Dmitry; Brinkmann, J.; Ebelke, Garrett L.; Gillespie, Bruce A.; Jordan, Cathy; Jordan, Wendell P.; Klaene, Mark A.; Long, Daniel C.; Malanushenko, Elena; Malanushenko, Viktor; Naugle, Tracy; Oravetz, Daniel J.; Pan, Kaike; Simmons, Audrey E.; Snedden, Stephanie A.] Apache Point Observ, Sunspot, NM 88349 USA. [Blanton, Michael R.; Bovy, Jo; Hogg, David W.; Kazin, Eyal A.; Muna, Demitri; Price-Whelan, Adrian M.; Tinker, Jeremy L.; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Bochanski, John J.; Brandt, W. N.; Mahadevan, Suvrath; Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Bolton, Adam S.; Brown, Peter J.; Brownstein, Joel R.; Dawson, Kyle; Harris, David W.; Ivans, Inese I.; Olmstead, Matthew D.; Pandey, Parul; Shu, Yiping; Simmerer, Jennifer] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Brandt, W. N.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Campbell, Heather; Edmondson, Edward M.; Lampeitl, Hubert; Maraston, Claudia; Masters, Karen L.; Nichol, Robert C.; Percival, Will J.; Pforr, Janine; Ross, Ashley J.; Thomas, Daniel; Tojeiro, Rita] Univ Portsmouth, Inst Cosmol & Gravitat ICG, Portsmouth PO1 3FX, Hants, England. [Chen, Yanmei; Tremonti, Christy A.] Univ Wisconsin, Dept Astron, Madison, WI 53703 USA. [Chiappini, Cristina; Steinmetz, Matthias] Astrophys Inst Potsdam, D-14482 Potsdam, Germany. [Chiappini, Cristina] Ist Nazl Astrofis, I-34143 Trieste, Italy. [Comparat, Johan; Kneib, Jean-Paul] Univ Aix Marseille 1, Lab Astrophys Marseille, CNRS, F-13388 Marseille 13, France. [Connolly, Natalia] Hamilton Coll, Dept Phys, Clinton, NY 13323 USA. [Cortes, Marina; Ho, Shirley; Roe, Natalie A.; Ross, Nicholas P.; Schlegel, David J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Croft, Rupert A. C.] Carnegie Mellon Univ, Bruce & Astrid McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Cuesta, Antonio J.; Lundgren, Britt; Padmanabhan, Nikhil; Wake, David A.] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. [da Costa, Luiz N.; Maia, Marcio A. G.; Ogando, Ricardo L. C.; Ramos, Beatriz H. F.] Observ Nacl, BR-20921400 Rio De Janeiro, Brazil. [Ealet, Anne; Escoffier, Stephanie] Aix Marseille Univ, Ctr Phys Particules Marseille, CNRS IN2P3, Marseille, France. [Ebelke, Garrett L.; Jordan, Wendell P.; Pfaffenberger, Robert; Vogt, Nicole P.] New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. [Eisenstein, Daniel J.; Fan, Xiaohui; Jiang, Linhua; McGreer, Ian D.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Eisenstein, Daniel J.] Harvard Coll Observ, Cambridge, MA 02138 USA. [Font-Ribera, Andreu] Inst Ciencies Espai IEEC CSIC, E-08193 Barcelona, Spain. [Frinchaboy, Peter M.] Texas Christian Univ, Dept Phys & Astron, Ft Worth, TX 76129 USA. [Ge, Jian; Duy Cuong Nguyen; Sivarani, Thirupathi; Wang, Ji] Univ Florida, Dept Astron, Bryant Space Sci Ctr, Gainesville, FL 32611 USA. [Gilmore, G.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Gould, Andrew; Johnson, Jennifer A.; Kochanek, C. S.; Pieri, Matthew M.; Schlesinger, Katharine J.; Weinberg, David H.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Grebel, Eva K.] Univ Heidelberg, Astron Rechen Inst, Zentrum Astron, D-69120 Heidelberg, Germany. [Harding, Paul; Holtzman, Jon A.; Ma, Zhibo; Morrison, Heather L.; Zehavi, Idit] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. [Hearty, Frederick R.; O'Connell, Robert W.] Univ Virginia, Dept Astron, Charlottesville, VA 22904 USA. [Honscheid, Klaus] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Inada, Naohisa] Univ Tokyo, Res Ctr Early Universe, Grad Sch Sci, Bunkyo Ku, Tokyo 1130033, Japan. [Kirkby, David; Margala, Daniel] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Koesterke, Lars] Univ Texas Austin, Texas Adv Comp Ctr, Austin, TX 78758 USA. [Kollmeier, Juna A.] Observ Carnegie Inst Washington, Pasadena, CA 91101 USA. [Kron, Richard G.; Yanny, Brian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Kron, Richard G.; Sobeck, Jennifer S.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Lin, Yen-Ting] Acad Sinica, Inst Astron & Astrophys, Taipei 10617, Taiwan. [Lucatello, Sara] Osserv Astron Padova, INAF, I-35122 Padua, Italy. [Mahadevan, Suvrath; Schneider, Donald P.] Penn State Univ, Ctr Exoplanets & Habitable Worlds, Davey Lab 525, University Pk, PA 16802 USA. [Makler, Martin] Ctr Brasileiro Pesquisas Fis, ICRA, BR-22290180 Rio De Janeiro, Brazil. [McGehee, Peregrine M.] CALTECH, IPAC, Pasadena, CA 91125 USA. [Menard, Brice] Univ Toronto, CITA, Toronto, ON M5S 3H8, Canada. [Menard, Brice; Raddick, M. Jordan; Szalay, Alexander S.; Thakar, Aniruddha R.; Vandenberg, Jan] Johns Hopkins Univ, Ctr Astrophys Sci, Dept Phys & Astron, Baltimore, MD 21218 USA. [Miralda-Escude, Jordi; Verde, Licia] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain. [Miralda-Escude, Jordi; Verde, Licia] Univ Barcelona IEEC, Inst Ciencies Cosmos, Barcelona 08028, Spain. [Mullally, F.] NASA, SETI Inst, Ames Res Ctr, Moffett Field, CA 94035 USA. [Munn, Jeffrey A.] USN Observ, Flagstaff Stn, Flagstaff, AZ 86001 USA. [Myers, Adam D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Paris, Isabelle; Petitjean, Patrick; Pichon, Christophe; Rollinde, Emmanuel] Univ Paris 06, Inst Astrophys Paris, CNRS, UMR7095, F-75014 Paris, France. [Phleps, Stefanie; Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Pieri, Matthew M.] Univ Colorado, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Prada, Francisco] Inst Astrofis Andalucia CSIC, E-18008 Granada, Spain. [Reyle, Celine; Robin, Annie C.] Univ Franche Comte, Inst Utinam, Observ Besancon, F-25010 Besancon, France. [Richards, Gordon T.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Rix, Hans-Walter] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Rocha-Pinto, Helio J.; Rossetto, Bruno M.] Univ Fed Rio de Janeiro, Observ Valongo, BR-20080090 Rio De Janeiro, Brazil. [Rockosi, Constance M.] Univ Calif Santa Cruz, UCO Lick Observ, Santa Cruz, CA 95064 USA. [Sheldon, Erin] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sivarani, Thirupathi] Indian Inst Astrophys, Bangalore 560034, Karnataka, India. [White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [White, Simon D. M.] Max Planck Inst Astrophys, D-85748 Garching, Germany. RP Aihara, H (reprint author), Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778583, Japan. RI Pforr, Janine/J-3967-2015; Padmanabhan, Nikhil/A-2094-2012; Yasuda, Naoki/A-4355-2011; Aihara, Hiroaki/F-3854-2010; Murayama, Hitoshi/A-4286-2011; Le Goff, Jean-Marc/E-7629-2013; Tecnologias espaciai, Inct/I-2415-2013; Gonzalez Hernandez, Jonay I./L-3556-2014; Ogando, Ricardo/A-1747-2010; Mandelbaum, Rachel/N-8955-2014; Ho, Shirley/P-3682-2014; Balbinot, Eduardo/E-8019-2015; Kneib, Jean-Paul/A-7919-2015; White, Martin/I-3880-2015; Brandt, William/N-2844-2015; Rocha-Pinto, Helio/C-2719-2008 OI Pforr, Janine/0000-0002-3414-8391; Aihara, Hiroaki/0000-0002-1907-5964; Gonzalez Hernandez, Jonay I./0000-0002-0264-7356; Ogando, Ricardo/0000-0003-2120-1154; Mandelbaum, Rachel/0000-0003-2271-1527; Ho, Shirley/0000-0002-1068-160X; Balbinot, Eduardo/0000-0002-1322-3153; Kneib, Jean-Paul/0000-0002-4616-4989; White, Martin/0000-0001-9912-5070; Brandt, William/0000-0002-0167-2453; NR 5 TC 49 Z9 49 U1 0 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD AUG PY 2011 VL 195 IS 2 AR 26 DI 10.1088/0067-0049/195/2/26 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 818RP UT WOS:000294773000015 ER PT J AU Berger, RF Walters, PL Lee, S Hoffmann, R AF Berger, Robert F. Walters, Peter L. Lee, Stephen Hoffmann, Roald TI Connecting the Chemical and Physical Viewpoints of What Determines Structure: From 1-D Chains to gamma-Brasses SO CHEMICAL REVIEWS LA English DT Review ID TANTALUM COPPER ALUMINIDES; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; CHIMNEY LADDER PHASES; CUBIC A6B COMPOUNDS; HUME-ROTHERY PHASE; WAVE BASIS-SET; CRYSTAL-STRUCTURE; ELECTRONIC-STRUCTURE; QUANTUM CONTRIBUTIONS C1 [Berger, Robert F.; Walters, Peter L.; Lee, Stephen; Hoffmann, Roald] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. [Berger, Robert F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Walters, Peter L.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. RP Lee, S (reprint author), Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. EM sl137@cornell.edu; rh34@cornell.edu FU National Science Foundation [DMR-0804223] FX This research was supported by the National Science Foundation through Grant DMR-0804223. We thank Prof. Neil Ashcroft for his careful reading of our work. NR 106 TC 18 Z9 18 U1 2 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD AUG PY 2011 VL 111 IS 8 BP 4522 EP 4545 DI 10.1021/cr1001222 PG 24 WC Chemistry, Multidisciplinary SC Chemistry GA 817TM UT WOS:000294699500005 PM 21434599 ER PT J AU Pereira, MG Nakayasu, E De Cicco, N Sant'Anna, C Atella, G Almeida, I de Souza, W Cunha-e-Silva, N AF Pereira, Miria G. Nakayasu, Ernesto De Cicco, Nuccia Sant'Anna, Celso Atella, Georgia Almeida, Igor de Souza, Wanderley Cunha-e-Silva, Narcisa TI Trypanosoma cruzi epimastigotes are able to store and mobilize high amounts of cholesterol in reservosome lipid inclusions SO CHEMISTRY AND PHYSICS OF LIPIDS LA English DT Meeting Abstract CT 52nd International Conference on the Bioscience of Lipids - Expanding the Horizons of Lipidomics CY AUG 30-SEP 03, 2011 CL Univ Warsaw, Old Library, Warsaw, POLAND SP Journal Biol Chem/Herbert Tabor Young Investigator Award, Bio-Rad Labs, Polish Minist Sci & Higher Educ, Polish Biochem Soc, Visegrad Fund, Johnson & Johnson, CPPW, Avanti Polar Lipids, Inc, Elsevier, Perlan Technol Polska, Cayman Chem, Olympus Polska, Sigma Life Sci, Bruker, Larodan Fine Chem, Sympatec GmbH HO Univ Warsaw, Old Library C1 [Pereira, Miria G.; De Cicco, Nuccia; Atella, Georgia; de Souza, Wanderley; Cunha-e-Silva, Narcisa] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. [Nakayasu, Ernesto] Pacific NW Natl Lab, Richland, WA USA. [Sant'Anna, Celso] INMETRO, Rio De Janeiro, Brazil. [Almeida, Igor] Univ Texas El Paso, El Paso, TX 79968 USA. OI Cunha-e-Silva, Narcisa/0000-0003-4863-4945 NR 0 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0009-3084 J9 CHEM PHYS LIPIDS JI Chem. Phys. Lipids PD AUG PY 2011 VL 164 SU S BP S37 EP S37 DI 10.1016/j.chemphyslip.2011.05.117 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 818JL UT WOS:000294747900095 ER PT J AU Hartman, NC Groves, JT AF Hartman, Nina C. Groves, Jay T. TI Signaling clusters in the cell membrane SO CURRENT OPINION IN CELL BIOLOGY LA English DT Article ID NATURAL-KILLER-CELL; IMMUNOLOGICAL SYNAPSE; T-CELLS; ACTIN CYTOSKELETON; RECEPTOR CLUSTERS; ALPHA-CATENIN; ACTIVATION; COMPLEX; ANTIGEN; TCR AB Large-scale molecular assemblies, or signaling clusters, at the cell membrane are emerging as important regulators of cell signaling. Here, we review new findings and describe shared characteristics common to signaling clusters from a diverse set of cellular systems. The well-known T cell receptor cluster serves as our paradigmatic model. Specifically, each cluster initiates recruitment of hundreds of molecules to the membrane, interacts with the actin cytoskeleton, and contains a significant fraction of the entire signaling process. Probed by recent advancements in patterning and microscopy techniques, the signaling clusters display functional outcomes that are not readily predictable from the individual components. C1 [Hartman, Nina C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Hartman, Nina C.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Groves, Jay T.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. [Groves, Jay T.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA. RP Groves, JT (reprint author), Univ Calif Berkeley, Dept Chem, 424 Stanley Hall, Berkeley, CA 94720 USA. EM jtgroves@lbl.gov FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Cancer Institute (NCI) [U54 CA143836] FX The authors would like to thank the many undergraduates, graduate students, postdoctoral fellows, and scientists who contributed to this research. Financial support is acknowledged from the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and Award U54 CA143836 from the National Cancer Institute (NCI). NR 64 TC 43 Z9 43 U1 6 U2 34 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0955-0674 J9 CURR OPIN CELL BIOL JI Curr. Opin. Cell Biol. PD AUG PY 2011 VL 23 IS 4 BP 370 EP 376 DI 10.1016/j.ceb.2011.05.003 PG 7 WC Cell Biology SC Cell Biology GA 815HE UT WOS:000294515900002 PM 21665455 ER PT J AU Sattayasamitsathit, S Mahony, AMO Xiao, XY Brozik, SM Washburn, CM Wheeler, DR Cha, J Burckel, DB Polsky, R Wang, J AF Sattayasamitsathit, Sirilak Mahony, Aoife M. O. Xiao, Xiaoyin Brozik, Susan M. Washburn, Cody M. Wheeler, David R. Cha, Jennifer Burckel, D. Bruce Polsky, Ronen Wang, Joseph TI Highly dispersed Pt nanoparticle-modified 3D porous carbon: A metallized carbon electrode material SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Pt nanoparticles; 3D porous carbon; Electrodeposition; Tailoring morphology ID RETICULATED VITREOUS CARBON; FILMS AB We demonstrate the controllable dispersion of platinum nanoparticles (PtNPs) throughout multilayers of a unique and highly ordered lithographically-patterned 3D porous carbon (PC) substrate. The resulting hierarchical structure allows for high mass transport access and catalytic activity for a diverse range of applications. Control of the electrodeposition conditions offers tailoring of the size and morphology of the PtNPs. along with narrow size distributions, and hence control of the electrochemical behavior. Such incorporation of PtNPs onto a 3D carbon nanostructure leads to high chemical and mechanical stability with improved mass transport profiles. The coupling of the catalytic properties of PtNPs with the attractive structural regularity and rigidity of 3D PC offers considerable promise for diverse applications such as flow sensors, biosensors, remediation, and fuel cells. (C) 2011 Elsevier B.V. All rights reserved. C1 [Xiao, Xiaoyin; Brozik, Susan M.; Washburn, Cody M.; Wheeler, David R.; Burckel, D. Bruce; Polsky, Ronen] Sandia Natl Labs, Dept Biosensors & Nanomat, Albuquerque, NM 87185 USA. [Sattayasamitsathit, Sirilak; Mahony, Aoife M. O.; Cha, Jennifer; Wang, Joseph] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA. RP Burckel, DB (reprint author), Sandia Natl Labs, Dept Biosensors & Nanomat, POB 5800, Albuquerque, NM 87185 USA. EM dbburck@sandia.gov; rpolsky@sandia.gov; josephwang@ucsd.edu RI Sattayasamitsathit, Sirilak/A-6883-2010; Wang, Joseph/C-6175-2011 OI Sattayasamitsathit, Sirilak/0000-0003-0349-3333; FU Sandia National Laboratories; DOE [BES DE-SC0004937] FX This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. S.S. and A.O. were supported by DOE BES DE-SC0004937. NR 20 TC 11 Z9 11 U1 8 U2 35 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD AUG PY 2011 VL 13 IS 8 BP 856 EP 860 DI 10.1016/j.elecom.2011.05.021 PG 5 WC Electrochemistry SC Electrochemistry GA 816EU UT WOS:000294582300029 ER PT J AU Escobedo, JP Dennis-Koller, D Cerreta, EK Patterson, BM Bronkhorst, CA Hansen, BL Tonks, D Lebensohn, RA AF Escobedo, J. P. Dennis-Koller, D. Cerreta, E. K. Patterson, B. M. Bronkhorst, C. A. Hansen, B. L. Tonks, D. Lebensohn, R. A. TI Effects of grain size and boundary structure on the dynamic tensile response of copper SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PLATE IMPACT EXPERIMENTS; SHOCK-LOADED COPPER; VOID NUCLEATION; POLYCRYSTALLINE COPPER; CRYSTAL PLASTICITY; SPALL FRACTURE; STRAIN-RATE; DUCTILE; DAMAGE; SIMULATION AB Plate impact experiments have been carried out to examine the influence of grain boundary characteristics on the dynamic tensile response of Cu samples with grain sizes of 30, 60, 100, and 200 mu m. The peak compressive stress is similar to 1.50 GPa for all experiments, low enough to cause an early stage of incipient spall damage that is correlated to the surrounding microstructure in metallographic analysis. The experimental configuration used in this work permits real-time measurements of the sample free surface velocity histories, soft-recovery, and postimpact examination of the damaged microstructure. The resulting tensile damage in the recovered samples is examined using optical and electron microscopy along with micro x-ray tomography. The free surface velocity measurements are used to calculate spall strength values and show no significant effect of the grain size. However, differences are observed in the free surface velocity behavior after the pull-back minima, when reacceleration occurs. The magnitude of the spall peak and its acceleration rate are dependent upon the grain size. The quantitative, postimpact, metallographic analyses of recovered samples show that for the materials with grain sizes larger than 30 mu m, the void volume fraction and the average void size increase with increasing grain size. In the 30 and 200 mu m samples, void coalescence is observed to dominate the void growth behavior, whereas in 60 and 100 mu m samples, void growth is dominated by the growth of isolated voids. Electron backscatter diffraction (EBSD) observations show that voids preferentially nucleate and grow at grain boundaries with high angle misorientation. However, special boundaries corresponding to Sigma 1 (low angle, < 5 degrees) and Sigma 3 (similar to 60 degrees < 111 > misorientation) types are more resistant to void formation. Finally, micro x-ray tomography results show three dimensional (3D) views of the damage fields consistent with the two dimensional (2D) surface observations. Based on these findings, mechanisms for the void growth and coalescence are proposed. (C) 2011 American Institute of Physics. [doi:10.1063/1.3607294] C1 [Dennis-Koller, D.] Los Alamos Natl Lab, WX 9, Los Alamos, NM 87544 USA. [Escobedo, J. P.; Cerreta, E. K.; Lebensohn, R. A.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87544 USA. [Patterson, B. M.] Los Alamos Natl Lab, MST 7, Los Alamos, NM 87544 USA. [Tonks, D.] Los Alamos Natl Lab, XCP 5, Los Alamos, NM 87544 USA. RP Dennis-Koller, D (reprint author), Los Alamos Natl Lab, WX 9, POB 1663, Los Alamos, NM 87544 USA. EM ddennis@lanl.gov RI Lebensohn, Ricardo/A-2494-2008; Bronkhorst, Curt/B-4280-2011; Escobedo, Juan/J-9077-2012; OI Lebensohn, Ricardo/0000-0002-3152-9105; Bronkhorst, Curt/0000-0002-2709-1964; Escobedo-Diaz, Juan/0000-0003-2413-7119; Patterson, Brian/0000-0001-9244-7376 FU LDRD-DR [20100026] FX This work was supported by LDRD-DR 20100026. The authors would like to thank Mike Lopez for his help with the heat treatment of the samples and Ruben Manzanares for his help with assembly. John Bingert and G. T. "Rusty" Gray are also gratefully thanked for the fruitful discussions during the preparation of this manuscript. NR 46 TC 46 Z9 51 U1 7 U2 66 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 033513 DI 10.1063/1.3607294 PG 13 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600035 ER PT J AU Jensen, KL Montgomery, EJ Feldman, DW O'Shea, PG Harris, JR Lewellen, JW Moody, N AF Jensen, Kevin L. Montgomery, Eric J. Feldman, Donald W. O'Shea, Patrick G. Harris, John R. Lewellen, John W. Moody, Nathan TI Multiple scattering effects on quantum efficiency and response time for cesiated metal photocathodes SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRONIC WORK FUNCTION; HIGH-AVERAGE-POWER; PHOTOELECTRIC-EMISSION; BAND-STRUCTURE; PHOTOEMISSION; ENERGY; TUNGSTEN; SURFACE; CESIUM; MODEL AB An oft used approximation to predict quantum efficiency (QE) from bare metals or those with a low work function coating such as cesium is to assume that photo-excited electrons have not scattered prior to their emission. Monte Carlo simulations are used to assess that approximation, and show that, while good for bare metals, for cesiated metals a photoexcited electron may undergo several scattering events and yet be emitted. Neglecting scattered electrons therefore underestimates QE. Emitted electrons that have undergone scattering before emission elongate the response time by giving rise to a long time tail, low energy contribution to the faster non-scattered emission, for which a model is developed. The theory is applied to study variations in QE as a function of wavelength measured from cesiated metal surfaces. The extension of the findings to semiconductor photocathodes is briefly discussed. (C) 2011 American Institute of Physics. [doi:10.1063/1.3610397] C1 [Jensen, Kevin L.] USN, ESTD, Res Lab, Washington, DC 20375 USA. [Montgomery, Eric J.; Feldman, Donald W.; O'Shea, Patrick G.] Univ Maryland, IREAP, College Pk, MD 20742 USA. [Harris, John R.; Lewellen, John W.] USN, Dept Phys, Postgrad Sch, Monterey, CA 93943 USA. [Moody, Nathan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jensen, KL (reprint author), USN, ESTD, Res Lab, Code 6840, Washington, DC 20375 USA. EM kevin.jensen@nrl.navy.mil RI Jensen, Kevin/I-1269-2015 OI Jensen, Kevin/0000-0001-8644-1680 FU Joint Technology Office (JTO); Office of Naval Research (ONR) FX We thank the Joint Technology Office (JTO) and the Office of Naval Research (ONR) for their support of this work. We thank D. Dowell for access to the experimental data shown in Fig. 18, and both him and J. Smedley (Brookhaven National Laboratory) for discussions. NR 75 TC 5 Z9 5 U1 0 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 034504 DI 10.1063/1.3610397 PG 13 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600143 ER PT J AU Kawamura, Y Uematsu, M Hoshi, Y Sawano, K Myronov, M Shiraki, Y Haller, EE Itoh, KM AF Kawamura, Yoko Uematsu, Masashi Hoshi, Yusuke Sawano, Kentarou Myronov, Maksym Shiraki, Yasuhiro Haller, Eugene E. Itoh, Kohei M. TI Self-diffusion in compressively strained Ge SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID RELAXED SI; PRESSURE; MECHANISMS; GERMANIUM AB Under a compressive biaxial strain of similar to 0.71%, Ge self-diffusion has been measured using an isotopically controlled Ge single-crystal layer grown on a relaxed Si(0.2)Ge(0.8) virtual substrate. The self-diffusivity is enhanced by the compressive strain and its behavior is fully consistent with a theoretical prediction of a generalized activation volume model of a simple vacancy mediated diffusion, reported by Aziz et al. [Phys. Rev. B 73, 054101 (2006)]. The activation volume of (-0.65 +/- 0.21) times the Ge atomic volume quantitatively describes the observed enhancement due to the compressive biaxial strain very well. (C) 2011 American Institute of Physics. [doi: 10.1115/1.4004462] C1 [Kawamura, Yoko; Uematsu, Masashi; Itoh, Kohei M.] Keio Univ, Sch Fundamental Sci & Technol, Kohoku Ku, Yokohama, Kanagawa 2238522, Japan. [Hoshi, Yusuke; Sawano, Kentarou; Shiraki, Yasuhiro] Tokyo City Univ, Res Ctr Silicon Nanosci, Adv Res Labs, Setagaya Ku, Tokyo 1580082, Japan. [Myronov, Maksym] Univ Warwick, Dept Phys, Coventry CV4 7L, W Midlands, England. [Haller, Eugene E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kawamura, Y (reprint author), Keio Univ, Sch Fundamental Sci & Technol, Kohoku Ku, 3-14-1 Hiyoshi, Yokohama, Kanagawa 2238522, Japan. RI Hoshi, Yusuke/A-2135-2012; Itoh, Kohei/C-5738-2014 FU MEXT; (NSF) U.S. National Science Foundation [DMR-0902179] FX We acknowledge Professors W. Vandervorst and O. Dubon for fruitful discussions. The work has been supported in part by a Grant-in-Aid for Scientific Research by MEXT, in part by Special Coordination Funds for Promoting Science and Technology, in part by FIRST, and in part by a Grant-in-Aid for the Global Center of Excellence at Keio University. E. E. H. acknowledges the support of the (NSF) U.S. National Science Foundation through Grant No. DMR-0902179. NR 26 TC 1 Z9 1 U1 0 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 034906 DI 10.1115/1.4004462 PG 4 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600158 ER PT J AU Khanal, DR Levander, AX Yu, KM Liliental-Weber, Z Walukiewicz, W Grandal, J Sanchez-Garcia, MA Calleja, E Wu, J AF Khanal, D. R. Levander, A. X. Yu, K. M. Liliental-Weber, Z. Walukiewicz, W. Grandal, J. Sanchez-Garcia, M. A. Calleja, E. Wu, J. TI Decoupling single nanowire mobilities limited by surface scattering and bulk impurity scattering SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FIELD-EFFECT TRANSISTORS; ELECTRON-MOBILITY; ACCUMULATION LAYERS; INAS NANOWIRES; SILICON; IRRADIATION; INN; CONDUCTIVITY; INVERSION; INSULATOR AB We demonstrate the isolation of two free carrier scattering mechanisms as a function of radial band bending in InN nanowires via universal mobility analysis, where effective carrier mobility is measured as a function of effective electric field in a nanowire field-effect transistor. Our results show that Coulomb scattering limits effective mobility at most effective fields, while surface roughness scattering only limits mobility under very high internal electric fields. High-energy a particle irradiation is used to vary the ionized donor concentration, and the observed decrease in mobility and increase in donor concentration are compared to Hall effect results of high-quality InN thin films. Our results show that for nanowires with relatively high doping and large diameters, controlling Coulomb scattering from ionized dopants should be given precedence over surface engineering when seeking to maximize nanowire mobility. (C) 2011 American Institute of Physics. [doi:10.1063/1.3611032] C1 [Khanal, D. R.; Levander, A. X.; Wu, J.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Khanal, D. R.; Levander, A. X.; Yu, K. M.; Liliental-Weber, Z.; Walukiewicz, W.; Wu, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Grandal, J.; Sanchez-Garcia, M. A.; Calleja, E.] Univ Politecn, Dept Ingn Elect ISOM, Madrid 28040, Spain. RP Wu, J (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM wuj@berkeley.edu RI Grandal, Javier/F-6790-2011; Wu, Junqiao/G-7840-2011; Liliental-Weber, Zuzanna/H-8006-2012; Yu, Kin Man/J-1399-2012 OI Wu, Junqiao/0000-0002-1498-0148; Yu, Kin Man/0000-0003-1350-9642 FU National Science Foundation [CMMI-000176]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; EU [SMASH CP-IP 228999-2]; [CAM P2009/ESP-1503]; [MICINN-PLE2009-0023]; [MICINN-MAT-2008-04815] FX This work was supported by the National Science Foundation under Grant No. CMMI-000176. The irradiation and TEM 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. The authors thank Tyler Matthews for helpful discussions. Co-authors from ISOM acknowledge partial funding by national contracts: CAM P2009/ESP-1503, MICINN-PLE2009-0023, and MICINN-MAT-2008-04815, and by the EU under FP7 Contract No. SMASH CP-IP 228999-2. NR 38 TC 8 Z9 8 U1 3 U2 21 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 033705 DI 10.1063/1.3611032 PG 7 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600067 ER PT J AU Kyratsi, T Hatzikraniotis, E Ioannou, M Chung, DY Tsiaoussis, I AF Kyratsi, Th. Hatzikraniotis, E. Ioannou, M. Chung, D. Y. Tsiaoussis, I. TI Seebeck and thermal conductivity analysis in amorphous/crystalline beta-K2Bi8Se13 nanocomposite materials SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THERMOELECTRIC-MATERIALS; SOLID-SOLUTIONS; MERIT; K2BI8-XSBXSE13; SEMICONDUCTORS; DEVICES; GLASSES; GROWTH; FIGURE AB In this work, ball milling is applied on beta-K2Bi8Se13 compounds in order to explore the potential of the process for the fabrication of nano-based material. Polycrystalline beta-K2Bi8Se13, synthesized from melt, was ball milled under inert atmosphere. Powder x-ray diffraction showed a significantly increased disorder with ball milling time. TEM studies confirmed the presence of nanocrystalline material in an amorphous matrix, suggesting the development of crystalline/amorphous beta-K2Bi8Se13 nanocomposite material via ball milling process. Seebeck coefficient and thermal conductivity were analyzed based on the effective medium theory and show a significant contribution of a nanocrystalline phase. (C) 2011 American Institute of Physics. [doi:10.1063/1.3610393] C1 [Kyratsi, Th.; Ioannou, M.] Univ Cyprus, Dept Mech & Mfg Engn, CY-1678 Nicosia, Cyprus. [Hatzikraniotis, E.; Tsiaoussis, I.] Aristotle Univ Thessaloniki, Dept Phys, Thessaloniki 54124, Greece. [Chung, D. Y.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Kyratsi, T (reprint author), Univ Cyprus, Dept Mech & Mfg Engn, CY-1678 Nicosia, Cyprus. EM kyratsi@ucy.ac.cy FU Republic of Cyprus; European Regional Development Fund; US DOE, Office of Science [DE-AC02-06CH11357]; [ANABATHMISI/PAGIO/0308/17] FX This work falls under the Cyprus Research Promotion Foundation's Framework Programme for Research, Technological Development and Innovation 2008 (DESMI 2008), co-funded by the Republic of Cyprus and the European Regional Development Fund, and specifically under Grant ANABATHMISI/PAGIO/0308/17. Dr. Chung was supported by the US DOE, Office of Science under Contract No. DE-AC02-06CH11357. NR 50 TC 7 Z9 7 U1 1 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 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 033713 DI 10.1063/1.3610393 PG 10 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600075 ER PT J AU Pan, MC Liu, YZ Bai, GR Hong, S Dravid, VP Petford-Long, AK AF Pan, Mengchun Liu, Yuzi Bai, Guoren Hong, Seungbum Dravid, Vinayak P. Petford-Long, Amanda K. TI Structure-property relationships in self-assembled metalorganic chemical vapor deposition-grown CoFe2O4-PbTiO3 multiferroic nanocomposites using three-dimensional characterization SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRON-MICROSCOPY SPECIMEN; FERROELECTRIC THIN-FILMS; SRTIO3 SURFACES; NANOSTRUCTURES; HETEROSTRUCTURES; RELAXATION; SYSTEM; SPINEL AB Multiferroic nanocomposites, consisting of branched, ferrimagnetic CoFe2O4 filaments and large protruding PbTiO3 particles embedded in a piezoelectric PbTiO3 matrix, have been fabricated by co-deposition using metalorganic chemical vapor deposition. Branched CoFe2O4 filaments reduce the CoFe2O4/PbTiO3 interfacial strain and induce a perpendicular magnetic anisotropy. Three-dimensional characterizations reveal that in addition to the c-domain, grains with a second orientation in PbTiO3 particles contribute to an additional four apparent variants of polarization. In contrast, the PbTiO3 matrix exhibits only c-domain polarization with a smaller magnitude. The smaller piezoresponse results from the constraints imposed by the branched CoFe2O4 filaments. Three-dimensional microstructure and property analysis provide a comprehensive insight on the structure-property relationship of multiferroic nanocomposites grown by metalorganic chemical vapor deposition. (C) 2011 American Institute of Physics. [doi:10.1063/1.3615888] C1 [Pan, Mengchun; Dravid, Vinayak P.; Petford-Long, Amanda K.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60202 USA. [Pan, Mengchun; Liu, Yuzi; Bai, Guoren; Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Petford-Long, Amanda K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Pan, MC (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60202 USA. EM mengchunpan2008@u.northwestern.edu RI Dravid, Vinayak/B-6688-2009; Hong, Seungbum/B-7708-2009; Petford-Long, Amanda/P-6026-2014; Liu, Yuzi/C-6849-2011 OI Hong, Seungbum/0000-0002-2667-1983; Petford-Long, Amanda/0000-0002-3154-8090; FU U.S. Department of Energy (DOE) Office of Science laboratory [DE-AC02-06CH11357]; NIH [P41 RR-01081] FX The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy (DOE) Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. Use of the Electron Microscopy Center of Argonne National Laboratory is gratefully acknowledged. The authors would like to thank Bernd Kabius and Daniel Schreiber for their insights to STEM and tomography sample preparation. John Pearson and Axel Hoffman are acknowledged for their assistance in SQUID measurements. The 3 D images of electron tomography were produced using the UCSF CHIMERA package from the Resource for Biocomputing, Visualization, and Informatics at the University of California, San Francisco (supported by NIH P41 RR-01081). See supplementary material at E-JAPIAU-110-007115 for the movies of tomography reconstructions of lamellar and cylinder-shaped samples. NR 34 TC 4 Z9 4 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 034103 DI 10.1063/1.3615888 PG 7 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600113 ER PT J AU Resnyansky, AD Bourne, NK Millett, JCF Brown, EN AF Resnyansky, A. D. Bourne, N. K. Millett, J. C. F. Brown, E. N. TI Constitutive modeling of shock response of polytetrafluoroethylene SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EQUATION-OF-STATE; STRAIN-RATE; TEMPERATURE; PHASE; COMPRESSION; POLYMERS; PTFE; MICROSTRUCTURE; RELAXATION; TRANSITION AB Polytetrafluoroethylene (PTFE) is a polymer with a simple atomic structure that shows complex behavior under pressure and demonstrates a highly variable metastable phase structure in shock waves with amorphous and crystalline components. In turn, the crystalline component has four known phases with the high-pressure transition of the crystalline domain from crystalline phase IV at ambient through phase II to III. At the same time, as has been recently studied using spectrometry, the crystalline region nucleates from the amorphous one with load. Stress and velocity shock-wave profiles acquired recently with embedded gauges demonstrate features that may be related to the impedance mismatch between the phase domains subjected to such transitions resulting in variations of mechanical and thermophysical characteristics. We consider the inter-phase non-equilibrium and the amorphous-to-crystalline and inter-crystalline transitions that are associated with the high pressure and temperature transformations under shock wave loading as possible candidates for the analysis. The present work utilizes a multi-phase constitutive model that considers strength effects to describe the observed response under shock loading of the PTFE material. Experimental plate impact shock-wave histories are compared with calculated profiles using kinetics describing the transitions. The study demonstrates that the inter-phase pressure non-equilibrium of the state parameters plays the key role in the delay of the shock wave attenuation. At the same time, the forward transition associated with the crystallization might be responsible for the velocity spike in the experimental velocity profiles at high impact velocity and the modulus variation at low impact velocity. On the other hand, an accelerated attenuation of the velocity in the rarefaction wave is associated with another transition resulting in the residual crystallinity change during unloading. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3619804] C1 [Resnyansky, A. D.] DSTO, Weap Syst Div, Edinburgh, SA 5111, Australia. [Bourne, N. K.; Millett, J. C. F.] AWE, Reading RG7 4PR, Berks, England. [Brown, E. N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Resnyansky, AD (reprint author), DSTO, Weap Syst Div, Edinburgh, SA 5111, Australia. EM anatoly.resnyansky@dsto.defence.gov.au RI Resnyansky, Anatoly/H-6399-2013; OI Resnyansky, Anatoly/0000-0003-2573-1005; Brown, Eric/0000-0002-6812-7820 NR 39 TC 7 Z9 7 U1 0 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 033530 DI 10.1063/1.3619804 PG 15 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600052 ER PT J AU Stewart, MK Liu, J Smith, RK Chapler, BC Yee, CH Meyers, D Baumbach, RE Maple, MB Haule, K Chakhalian, J Basov, DN AF Stewart, M. K. Liu, Jian Smith, R. K. Chapler, B. C. Yee, C. -H. Meyers, D. Baumbach, R. E. Maple, M. B. Haule, K. Chakhalian, J. Basov, D. N. TI Optical probe of strong correlations in LaNiO3 thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID METAL-INSULATOR-TRANSITION; ZERO-TEMPERATURE LIMIT; ELECTRONIC-PROPERTIES; SINGLE-CRYSTALS; SMALL POLARONS; T-C; CONDUCTIVITY; OXIDES; PEROVSKITES; DEPENDENCE AB The optical properties of LaNiO3 thin films are investigated over a wide energy and temperature range. Thin films of varying thickness were grown by pulsed laser deposition on LaAlO3 and SrTiO3 substrates. The optical conductivity data of the films reveal a number of interband transitions above 1 eV, which are in good agreement with band structure calculations. No well defined Drude peak is observed; however, in stark contrast with local-density approximation theory predicting a finite density of states at the Fermi energy. This experimental finding of a vanishing Drude spectral weight, compared to a finite electron kinetic energy obtained from band structure calculations, highlights the importance of strong electronic correlations in LaNiO3. (C) 2011 American Institute of Physics. [doi:10.1063/1.3614019] C1 [Stewart, M. K.; Smith, R. K.; Chapler, B. C.; Baumbach, R. E.; Maple, M. B.; Basov, D. N.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Liu, Jian; Meyers, D.; Chakhalian, J.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. [Liu, Jian] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yee, C. -H.; Haule, K.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Stewart, MK (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM mstewart@physics.ucsd.edu RI Baumbach, Ryan/C-5528-2012; Liu, Jian/I-6746-2013; Chakhalian, Jak/F-2274-2015 OI Liu, Jian/0000-0001-7962-2547; FU DOE-BES; DOD-ARO [0402-17291]; NSF [DMR-0747808]; DOE [DE FG02-04ER46105] FX The authors thank A. J. Millis, S. J. Moon, and G. Sawatzky for useful discussion. Work at UCSD was supported by DOE-BES. J. C. was supported by DOD-ARO under Grant No. 0402-17291 and NSF Grant No. DMR-0747808. M. B. M. was supported by DOE under Grant No. DE FG02-04ER46105. NR 50 TC 22 Z9 22 U1 0 U2 21 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 033514 DI 10.1063/1.3614019 PG 5 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600036 ER PT J AU Zhao, X Phillips, L Reece, CE Seo, K Krishnan, M Valderrama, E AF Zhao, X. Phillips, L. Reece, C. E. Seo, Kang Krishnan, M. Valderrama, E. TI Twin symmetry texture of energetically condensed niobium thin films on sapphire substrate (a-plane Al2O3) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EPITAXIAL-GROWTH; DEPOSITION; ARC AB An energetic condensation technique, cathodic arc discharge deposition, is used to grow epitaxial Niobium (Nb) thin films on a-plane sapphire (hexagonal-closed-packed Al2O3) at moderate substrate heating temperature (<400 degrees C). The epitaxial Nb(110)/Al2O3(1,1,-2,0) thin films reached a maximum residual resistance ratio (RRR) value 214, despite using a reactor-grade Nb cathode source whose RRR was only 30. The measurements suggest that the film's density of impurities and structural defects are lower when compared to Nb films produced by other techniques, such as magnetron sputtering, e-beam evaporation or molecular-beam-epitaxy. At lower substrate temperature, textured polycrystalline Nb thin films were created, and the films might have twin symmetry grains with {110} orientations in-plane. The texture was revealed by x-ray diffraction pole figures. The twin symmetry might be caused by a combination effect of the Nb/Al2O3 three-dimensional epitaxial relationship ("3D-Registry" Claassen's nomenclature) and the "Volmer-Weber" (Island) growth model. However, pole figures obtained by electron backscattering diffraction (EBSD) found no twin symmetry on the thin films' topmost surface (similar to 50 nm in depth). The EBSD pole figures showed only one Nb{110} crystal plane orientation. A possible mechanism is suggested to explain the differences between the bulk (XRD) and surface (EBSD) pole figures. (C) 2011 American Institute of Physics. [doi:10.1063/1.3611406] C1 [Zhao, X.; Phillips, L.; Reece, C. E.] Jefferson Lab, Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. [Seo, Kang] Norfolk State Univ NSU, Norfolk, VA USA. [Krishnan, M.; Valderrama, E.] Alameda Appl Sci Corp AASC, San Leandro, CA USA. RP Zhao, X (reprint author), Jefferson Lab, Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. FU DOE [DE-FG02-08ER85162]; Jefferson Science Associates, LLC under U.S. DOE [DE-AC05-06OR23177] FX We acknowledge helpful discussions with Dr. Roy Crook, Joshua Spradlin, and Anne-Marie Valente-Feliciano for contributing insights to this study. The work at AASC was supported by DOE Grant No. DE-FG02-08ER85162. This research is also funded by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. The U. S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for U.S. Government purposes. NR 24 TC 8 Z9 8 U1 3 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 033523 DI 10.1063/1.3611406 PG 7 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600045 ER PT J AU Balona, LA Guzik, JA Uytterhoeven, K Smith, JC Tenenbaum, P Twicken, JD AF Balona, L. A. Guzik, J. A. Uytterhoeven, K. Smith, J. C. Tenenbaum, P. Twicken, J. D. TI The Kepler view of gamma Doradus stars SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE stars: oscillations; stars: variables: general ID DELTA-SCUTI; MODE; OSCILLATIONS; FREQUENCIES; EXCITATION; PULSATIONS; PULSATORS; MISSION; SCIENCE AB Visual classification of over 10 000 stars in the Kepler data base has revealed a class of stars with almost monoperiodic light variations and characteristic beating. A subset of these stars have a larger light amplitude and asymmetric light curves with larger variation in maximum brightness than in minimum brightness. The beating is mostly a result of two dominant, closely spaced frequencies. A third group of stars shows multiple low frequencies of comparable amplitudes. All three types of star fall in the region of the Hertzsprung-Russell diagram where gamma Dor stars are found and we therefore identify them as gamma Dor variables. However, stars with migrating star-spots also have symmetric light curves with beats, so it is likely that the sample is contaminated by non-pulsating stars of this type. If we assume that the dominant frequency in stars with beats is the rotational frequency, the resulting distribution of equatorial rotational velocities matches that of field stars of similar temperature and luminosity. We therefore conclude that the pulsation periods of these stars must be close to their rotational periods. The third group with multiple frequencies may be slowly rotating gamma Dor stars. This investigation is closely related to the presence of low frequencies in delta Scuti stars which we briefly discuss. C1 [Balona, L. A.] S African Astron Observ, ZA-7935 Cape Town, South Africa. [Guzik, J. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Uytterhoeven, K.] Univ Paris Diderot, CEA DSM CNRS, IRFU SAp, Ctr Saclay, F-91191 Gif Sur Yvette, France. [Uytterhoeven, K.] Kiepenheuer Inst Sonnenphys, D-79104 Freiburg, Germany. [Smith, J. C.; Tenenbaum, P.; Twicken, J. D.] NASA, Ames Res Ctr, SETI Inst, Moffett Field, CA 94035 USA. RP Balona, LA (reprint author), S African Astron Observ, POB 9, ZA-7935 Cape Town, South Africa. EM lab@saao.ac.za FU NASA's Science Mission Directorate; South African Astronomical Observatory; Deutsche Forschungsgemeinschaft (DFG) [UY 52/1-1] FX The authors wish to thank the Kepler team for their generosity in allowing the data to be released to the Kepler Asteroseismic Science Consortium (KASC) ahead of public release and for their outstanding efforts which have made these results possible. Funding for the Kepler mission is provided by NASA's Science Mission Directorate.; LAB wishes to thank the South African Astronomical Observatory for financial support. KU acknowledges financial support by the Deutsche Forschungsgemeinschaft (DFG) in the framework of project UY 52/1-1. NR 30 TC 44 Z9 44 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD AUG PY 2011 VL 415 IS 4 BP 3531 EP 3538 DI 10.1111/j.1365-2966.2011.18973.x PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811JK UT WOS:000294204900049 ER PT J AU Lovekin, CC AF Lovekin, C. C. TI Mass-loss in 2D zero-age main-sequence stellar models SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE stars: mass-loss; stars: rotation ID RADIATION-DRIVEN WINDS; NONRADIAL LINE-FORCES; HOT-STAR WINDS; O-STARS; DISK FORMATION; B-STARS; ULTRAVIOLET-SPECTRA; ANGULAR-MOMENTUM; ROTATION; EVOLUTION AB A large number of massive stars are known to rotate rapidly, resulting in a significant distortion and variation in surface temperature from the pole to the equator. Radiatively driven mass-loss is temperature-dependent, so rapid rotation produces a variation in the mass-loss and angular momentum loss rates across the surface of the star, which is expected to affect the evolution of rapidly rotating massive stars. In this work, we use zero-age main-sequence (ZAMS) stellar models to investigate the two-dimensional effects of rotation on stellar mass-loss, using two common prescriptions for radiatively driven mass-loss. The associated loss of angular momentum from these models is also considered. Using 2D stellar models, which give the variation in surface parameters as a function of colatitude, we implement two different mass-loss prescriptions describing radiatively driven mass-loss. We find a significant variation in mass-loss rates and angular momentum loss as a function of colatitude. We find that the mass-loss rate decreases as the rotation rate increases for models with a constant initial mass, and derive scaling relations based on these models. When comparing 2D to 1D mass-loss rates, we find that although the total angle integrated mass-loss does not differ significantly, the 2D models predict less mass-loss from the equator and more mass-loss from the pole than the 1D predictions using von Zeipel's law. As a result, rotating models lose less angular momentum in 2D than in 1D, which will change the subsequent evolution of the star. The evolution of these models will be investigated in future work. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lovekin, CC (reprint author), Los Alamos Natl Lab, T-2, Los Alamos, NM 87545 USA. EM clovekin@lanl.gov FU US Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA2-5396] FX The author would like to thank R. Deupree for helpful discussions and assistance with ROTORC, and R. Kudritzki for advice on parametrization of the force multiplier constants. This work was performed for the US Department of Energy by Los Alamos National Laboratory under Contract No. DE-AC52-06NA2-5396. NR 35 TC 4 Z9 4 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 AUG PY 2011 VL 415 IS 4 BP 3887 EP 3894 DI 10.1111/j.1365-2966.2011.19004.x PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811JK UT WOS:000294204900079 ER PT J AU Mohapatra, S Kawahara, M Khan, IS Yannone, SM Povirk, LF AF Mohapatra, Susovan Kawahara, Misako Khan, Imran S. Yannone, Steven M. Povirk, Lawrence F. TI Restoration of G1 chemo/radioresistance and double-strand-break repair proficiency by wild-type but not endonuclease-deficient Artemis SO NUCLEIC ACIDS RESEARCH LA English DT Article ID DEPENDENT PROTEIN-KINASE; DNA-DAMAGE; S-PHASE; CELLS; ATM; CHECKPOINT; PML; PHOSPHORYLATION; RECOMBINATION; IRRADIATION AB Deficiency in Artemis is associated with lack of V(D)J recombination, sensitivity to radiation and radiomimetic drugs, and failure to repair a subset of DNA double-strand breaks (DSBs). Artemis harbors an endonuclease activity that trims both 5'- and 3'-ends of DSBs. To examine whether endonucleolytic trimming of terminally blocked DSBs by Artemis is a biologically relevant function, Artemis-deficient fibroblasts were stably complemented with either wild-type Artemis or an endonuclease-deficient D165N mutant. Wild-type Artemis completely restored resistance to gamma-rays, bleomycin and neocarzinostatin, and also restored DSB-repair proficiency in G0/G1 phase as measured by pulsed-field gel electrophoresis and repair focus resolution. In contrast, cells expressing the D165N mutant, even at very high levels, remained as chemo/radiosensitive and repair deficient as the parental cells, as evidenced by persistent gamma-H2AX, 53BP1 and Mre11 foci that slowly increased in size and ultimately became juxtaposed with promyelocytic leukemia protein nuclear bodies. In normal fibroblasts, overexpression of wild-type Artemis increased radioresistance, while D165N overexpression conferred partial repair deficiency following high-dose radiation. Restoration of chemo/radioresistance by wild-type, but not D165N Artemis suggests that the lack of endonucleolytic trimming of DNA ends is the principal cause of sensitivity to double-strand cleaving agents in Artemis-deficient cells. C1 [Mohapatra, Susovan; Povirk, Lawrence F.] Virginia Commonwealth Univ, Massey Canc Ctr, Dept Pharmacol & Toxicol, Richmond, VA 23298 USA. [Kawahara, Misako; Khan, Imran S.; Yannone, Steven M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Povirk, LF (reprint author), Virginia Commonwealth Univ, Massey Canc Ctr, Dept Pharmacol & Toxicol, Med Coll Virginia Campus, Richmond, VA 23298 USA. EM smyannone@lbl.gov; lpovirk@vcu.edu RI Yannone, Steven/G-1927-2011; OI Khan, Imran/0000-0003-4570-4143 FU National Cancer Institute [CA40615, CA104660]; US Department of Energy Office of Science [DE-AC02-05CH11231]; National Institutes of Health [CA40615] FX National Cancer Institute (grants CA40615 to L.F.P. and CA104660 to S.M.Y.); US Department of Energy Office of Science (under contract number DE-AC02-05CH11231). Funding for open access charge: National Institutes of Health Grant (CA40615). NR 40 TC 11 Z9 11 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD AUG PY 2011 VL 39 IS 15 BP 6500 EP 6510 DI 10.1093/nar/gkr257 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 815UQ UT WOS:000294555800023 PM 21531702 ER PT J AU Wang, YM Yu, MY Chen, ZY AF Wang, Youmei Yu, M. Y. Chen, Z. Y. TI Coherent relativistic wake wave of a charged object moving steadily in a plasma SO PHYSICA SCRIPTA LA English DT Article ID TEST PARTICLES; ELECTRON BUNCH; ACCELERATION AB Nonlinear electron plasma waves driven by a finite-charged particle pulse or rigid object moving at relativistic speeds are investigated. Quasi-stationary smooth and spiky wake waves comoving with the object are found. Localized soliton-like solutions are also shown to exist. Relativistic effects tend to prevent their formation because of the electron mass increase. The application of the very-large-amplitude wake density waves as a source of ultrahigh-energy cosmic-ray events is discussed. C1 [Wang, Youmei; Yu, M. Y.] Zhejiang Univ, Inst Fus Theory & Simulat, Hangzhou 310027, Zhejiang, Peoples R China. [Wang, Youmei] Hangzhou Dizi Univ, Dept Phys, Sch Sci, Hangzhou 310018, Zhejiang, Peoples R China. [Yu, M. Y.] Ruhr Univ Bochum, Inst Theoret Phys 1, D-44780 Bochum, Germany. [Chen, Z. Y.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Chen, Z. Y.] Univ Antwerp, Dept Chem, B-2610 Antwerp, Belgium. RP Wang, YM (reprint author), Zhejiang Univ, Inst Fus Theory & Simulat, Hangzhou 310027, Zhejiang, Peoples R China. EM ymwang@hdu.edu.cn FU National Natural Science Foundation of China [10835003]; National Hi-Tech Inertial Confinement Fusion Committee of China; National Basic Research Program of China [2008CB717806]; Ministry of Science and Technology of China [2009GB105005]; Science Foundation of Chinese Universities FX This work was supported by the National Natural Science Foundation of China (grant no. 10835003), the National Hi-Tech Inertial Confinement Fusion Committee of China, the National Basic Research Program of China (grant no. 2008CB717806) and the Ministry of Science and Technology of China ITER Program (grant no. 2009GB105005) and the Science Foundation of Chinese Universities. NR 36 TC 4 Z9 4 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-8949 J9 PHYS SCRIPTA JI Phys. Scr. PD AUG PY 2011 VL 84 IS 2 AR 025501 DI 10.1088/0031-8949/84/02/025501 PG 5 WC Physics, Multidisciplinary SC Physics GA 818CR UT WOS:000294727900017 ER PT J AU Yu, HG AF Yu, Hua-Gen TI An ab initio molecular dynamics study of the roaming mechanism of the H-2 + HOC+ reaction SO PHYSICA SCRIPTA LA English DT Article; Proceedings Paper CT 18th European Conference on Dynamics of Molecular Systems CY SEP 05-10, 2010 CL Curia, PORTUGAL ID POTENTIAL-ENERGY SURFACE; ZERO-POINT ENERGY; REACTION-PATH; REACTION COORDINATE; PHOTODISSOCIATION; HOC+; ACETALDEHYDE; FORMALDEHYDE; COMPLEX; CO AB We report here a direct ab initio molecular dynamics study of the p-/o-H-2 + HOC+ reaction on the basis of the accurate SAC-MP2 potential energy surface. The quasi-classical trajectory method was employed. This work largely focuses on the study of reaction mechanisms. A roaming mechanism was identified for this molecular ion-molecule reaction. The driving forces behind the roaming mechanism were thoroughly investigated by using a trajectory dynamics approach. In addition, the thermal rate coefficients of the H-2 + HOC+ reaction were calculated in the temperature range [25, 300] K and are in good agreement with experiments. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yu, HG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM hgy@bnl.gov RI Yu, Hua-Gen/N-7339-2015 FU Brookhaven National Laboratory [DE-AC02-98CH10886]; National Energy Research Scientific Computing Center (NERSC) [DE-AC02-05CH11231]; US Department of Energy; Division of Chemical Sciences, Office of Basic Energy Sciences FX This work was performed at the Brookhaven National Laboratory under contract no. DE-AC02-98CH10886 and used the resources of the National Energy Research Scientific Computing Center (NERSC) under contract no. DE-AC02-05CH11231 with the US Department of Energy and they were supported by its Division of Chemical Sciences, Office of Basic Energy Sciences. NR 44 TC 7 Z9 7 U1 1 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 AUG PY 2011 VL 84 IS 2 AR 028104 DI 10.1088/0031-8949/84/02/028104 PG 7 WC Physics, Multidisciplinary SC Physics GA 818CR UT WOS:000294727900037 ER PT J AU Duty, CE Bennett, CJC Sabau, AS Jellison, GE Boudreaux, PR Walker, SC Ott, R AF Duty, Chad E. Bennett, Charlee J. C. Sabau, Adrian S. Jellison, Gerald E., Jr. Boudreaux, Phillip R. Walker, Steven C. Ott, Ron TI Advanced method for increasing the efficiency of white light quantum dot LEDs SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article DE modeling; photoluminescence; quantum dot; rapid thermal processing ID ILLUMINATION; NANOCRYSTALS AB Covering a light-emitting diode (LED) with quantum dots (QDs) can produce a broad spectrum of white light. However, current techniques for applying QDs to LEDs suffer from a high density of defects and a non-uniform distribution of QDs, which, respectively, diminish the efficiency and quality of emitted light. Oak Ridge National Laboratory (ORNL) has the unique capability to thermally anneal QD structures at extremely high power densities for very short durations. This process, called pulse thermal processing (PTP), reduces the number of point defects while maintaining the size and shape of the original QD nanostructure. Therefore, the efficiency of the QD wavelength conversion layer is improved without altering the emission spectrum defined by the size distribution of the QD nanoparticles. The current research uses a thermal model to predict annealing temperatures during PTP and demonstrates up to a 300% increase in photoluminescence for QDs on passive substrates. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Duty, Chad E.; Bennett, Charlee J. C.; Sabau, Adrian S.; Jellison, Gerald E., Jr.; Boudreaux, Phillip R.; Walker, Steven C.; Ott, Ron] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Walker, Steven C.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Duty, CE (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM dutyc@ornl.gov RI Sabau, Adrian/B-9571-2008 OI Sabau, Adrian/0000-0003-3088-6474 FU US Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC05-00OR22725]; UT-Batelle, LLC FX Research sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Industrial Technologies Program, under contract DE-AC05-00OR22725 with UT-Batelle, LLC. NR 18 TC 1 Z9 2 U1 2 U2 13 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1862-6300 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD AUG PY 2011 VL 208 IS 8 BP 1980 EP 1982 DI 10.1002/pssa.201026674 PG 3 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 816RK UT WOS:000294619600046 ER PT J AU Choi, H Kim, Y Hong, S Sung, TH Shin, H No, K AF Choi, Hyunwoo Kim, Yunseok Hong, Seungbum Sung, Tae-Hyun Shin, Hyunjung No, Kwangsoo TI Nanoscale retention-loss dynamics of polycrystalline PbTiO3 nanotubes SO PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS LA English DT Article DE retention; ferroelectrics; nanotubes; piezoresponse force microscopy; PbTiO3 ID FERROELECTRIC THIN-FILMS AB We observed the nanoscale retention dynamics of polycrystalline PbTiO3 nanotubes using piezoresponse force microscopy. We found that the retention loss of the nanodot domains on the nanotubes showed the stretched exponential relaxation behaviors with stretched exponential factor n being less than 1 (0.523 and 0.692), which are similar to the thin films. In addition, the nanodot domains showed a diverse relaxation time constant tau due to different remnant polarization of each dot domains. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Choi, Hyunwoo; Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Choi, Hyunwoo; Kim, Yunseok; No, Kwangsoo] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. [Sung, Tae-Hyun] Hanyang Univ, Dept Elect Engn, Seoul 133791, South Korea. [Shin, Hyunjung] Kookmin Univ, Sch Adv Mat Engn, Seoul 136732, South Korea. RP Hong, S (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM hong@anl.gov; ksno@kaist.ac.kr RI Choi, Hyunwoo/B-8669-2011; No, Kwangsoo/C-1983-2011; Hong, Seungbum/B-7708-2009; Shin, Hyunjung/D-5107-2009 OI Hong, Seungbum/0000-0002-2667-1983; Shin, Hyunjung/0000-0003-1284-9098 FU National Research Foundation of Korea [NRF-2008-314-D00172, 2010-0019123, 2010-0015063]; Ministry of Education, Science and Technology; New & Renewable Energy of the Korea Institute of Energy Technology Evaluation and Planning (KETEP); Ministry of Knowledge Economy, Republic of Korea [20103020060010]; U.S. DOE Office of Science [DE-AC02-06CII11357] FX This research was supported by the Basic Science Research Program (NRF-2008-314-D00172), the Nano R&D program (2010-0019123) and the Mid-career Researcher Program (2010-0015063) through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology, and was supported by the New & Renewable Energy of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Ministry of Knowledge Economy, Republic of Korea (No. 20103020060010). Work at Argonne National Laboratory (SH and HC, PFM data analysis and manuscript writing) is supported by the U.S. DOE Office of Science under Contract No. DE-AC02-06CII11357. NR 17 TC 3 Z9 3 U1 2 U2 10 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1862-6254 J9 PHYS STATUS SOLIDI-R JI Phys. Status Solidi-Rapid Res. Lett. PD AUG PY 2011 VL 5 IS 8 BP 289 EP 291 DI 10.1002/pssr.201105243 PG 3 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 818IZ UT WOS:000294746700011 ER PT J AU Alem, N Erni, R Kisielowski, C Rossell, MD Hartel, P Jiang, B Gannett, W Zettl, A AF Alem, Nasim Erni, Rolf Kisielowski, Christian Rossell, Marta D. Hartel, Peter Jiang, Bin Gannett, Will Zettl, A. TI Vacancy growth and migration dynamics in atomically thin hexagonal boron nitride under electron beam irradiation SO PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS LA English DT Article DE HRTEM; aberration correction; transmission electron microscopy; BN; vacancies; point defect migration AB Atomically thin hexagonal boron nitride (h-BN) is investigated using aberration-corrected ultra-high resolution electron microscopy under 80 kV electron beam. This study focuses on the in situ formation, growth and migration of vacancies in h-BN. This study also reveals interaction dynamics of edges and vacancies with adatoms and molecules under the electron beam. According to this investigation, boron monovacancies migrate through their second neighbor to reduce the surface energy of the membrane. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Alem, Nasim; Gannett, Will; Zettl, A.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Alem, Nasim; Zettl, A.] Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA. [Alem, Nasim; Kisielowski, Christian; Gannett, Will; Zettl, A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Erni, Rolf] EMPA, Swiss Fed Labs Mat Sci & Technol, Ctr Electron Microscopy, CH-8600 Dubendorf, Switzerland. [Kisielowski, Christian] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Rossell, Marta D.] Swiss Fed Inst Technol, Dept Mat, CH-8093 Zurich, Switzerland. [Hartel, Peter] CEOS GmbH, D-69126 Heidelberg, Germany. [Jiang, Bin] FEI Co, Hillsboro, OR 97124 USA. RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@berkeley.edu RI Erni, Rolf/P-7435-2014; Zettl, Alex/O-4925-2016; Rossell, Marta/E-9785-2017 OI Erni, Rolf/0000-0003-2391-5943; Zettl, Alex/0000-0001-6330-136X; FU U.S. DOE [DEAC02-05CH11231]; Center of Integrated Nanomechanical Systems (COINS) [EEC-0425914]; Office of Science, Office of BES of the U.S. DOE [DE-AC02-05CH11231] FX This work is supported by U.S. DOE Contract DEAC02-05CH11231 provided for TEM characterization. The Center of Integrated Nanomechanical Systems (COINS) with grant number EEC-0425914 provided for sample preparation. TEAM imaging was performed at NCEM, supported by the Office of Science, Office of BES of the U.S. DOE under Contract No. DE-AC02-05CH11231. W.G. acknowledges sample preparation support from the National Science Foundation under the IGERT program. NR 9 TC 8 Z9 8 U1 5 U2 22 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1862-6254 J9 PHYS STATUS SOLIDI-R JI Phys. Status Solidi-Rapid Res. Lett. PD AUG PY 2011 VL 5 IS 8 BP 295 EP 297 DI 10.1002/pssr.201105262 PG 3 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 818IZ UT WOS:000294746700013 ER PT J AU Pandrea, I Gaufin, T Gautam, R Kristoff, J Mandell, D Montefiori, D Keele, BF Ribeiro, RM Veazey, RS Apetrei, C AF Pandrea, Ivona Gaufin, Thaidra Gautam, Rajeev Kristoff, Jan Mandell, Daniel Montefiori, David Keele, Brandon F. Ribeiro, Ruy M. Veazey, Ronald S. Apetrei, Cristian TI Functional Cure of SIVagm Infection in Rhesus Macaques Results in Complete Recovery of CD4(+) T Cells and Is Reverted by CD8(+) Cell Depletion SO PLOS PATHOGENS LA English DT Article ID SIMIAN IMMUNODEFICIENCY VIRUS; AFRICAN-GREEN MONKEYS; IN-VIVO REPLICATION; ANTIRETROVIRAL THERAPY; HIV-1 INFECTION; GASTROINTESTINAL-TRACT; LONG-TERM; PIGTAILED MACAQUES; VIRAL REPLICATION; CORECEPTOR USAGE AB Understanding the mechanism of infection control in elite controllers (EC) may shed light on the correlates of control of disease progression in HIV infection. However, limitations have prevented a clear understanding of the mechanisms of elite controlled infection, as these studies can only be performed at randomly selected late time points in infection, after control is achieved, and the access to tissues is limited. We report that SIVagm infection is elite-controlled in rhesus macaques (RMs) and therefore can be used as an animal model for EC HIV infection. A robust acute infection, with high levels of viral replication and dramatic mucosal CD4(+) T cell depletion, similar to pathogenic HIV-1/SIV infections of humans and RMs, was followed by complete and durable control of SIVagm replication, defined as: undetectable VLs in blood and tissues beginning 72 to 90 days postinoculation (pi) and continuing at least 4 years; seroreversion; progressive recovery of mucosal CD4+ T cells, with complete recovery by 4 years pi; normal levels of T cell immune activation, proliferation, and apoptosis; and no disease progression. This "functional cure" of SIVagm infection in RMs could be reverted after 4 years of control of infection by depleting CD8 cells, which resulted in transient rebounds of VLs, thus suggesting that control may be at least in part immune mediated. Viral control was independent of MHC, partial APOBEC restriction was not involved in SIVagm control in RMs and Trim5 genotypes did not impact viral replication. This new animal model of EC lentiviral infection, in which complete control can be predicted in all cases, permits research on the early events of infection in blood and tissues, before the defining characteristics of EC are evident and when host factors are actively driving the infection towards the EC status. C1 [Pandrea, Ivona; Veazey, Ronald S.] Tulane Natl Primate Res Ctr, Div Comparat Pathol, Covington, LA 70433 USA. [Pandrea, Ivona] Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA 15213 USA. [Pandrea, Ivona; Kristoff, Jan; Apetrei, Cristian] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA 15213 USA. [Gaufin, Thaidra; Gautam, Rajeev; Mandell, Daniel; Apetrei, Cristian] Tulane Natl Primate Res Ctr, Div Microbiol, Covington, LA USA. [Montefiori, David] Duke Univ, Dept Surg, Durham, NC USA. [Keele, Brandon F.] NCI, SAIC Frederick Inc, NIH, Frederick, MD 21701 USA. [Ribeiro, Ruy M.] Los Alamos Natl Lab, Los Alamos, NM USA. [Apetrei, Cristian] Univ Pittsburgh, Sch Med, Dept Microbiol & Mol Genet, Pittsburgh, PA USA. RP Pandrea, I (reprint author), Tulane Natl Primate Res Ctr, Div Comparat Pathol, Covington, LA 70433 USA. EM apetreic@cvr.pitt.edu OI Ribeiro, Ruy/0000-0002-3988-8241 FU NIH/NIAID/NCRR [RO1 AI064066, R21AI069935, R01 AI065325, R01 RR025781, RR-00168]; Tulane Research Enhancement Fund; American Foundation for AIDS Research (AMFAR) [107151-44 RGRL]; National Cancer Institute, National Institutes of Health [HHSN266200400088C] FX This work was supported by NIH/NIAID/NCRR grants RO1 AI064066 and R21AI069935 (IP), R01 AI065325 (CA), R01 RR025781 (CA/IP) and RR-00168 (TNPRC). The study was also supported by the Tulane Research Enhancement Fund and grant 107151-44 RGRL from the American Foundation for AIDS Research (AMFAR). Portions of this work were supported with federal funds from the National Cancer Institute, National Institutes of Health under contract HHSN266200400088C. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 57 TC 38 Z9 38 U1 0 U2 1 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1553-7366 J9 PLOS PATHOG JI PLoS Pathog. PD AUG PY 2011 VL 7 IS 8 AR e1002170 DI 10.1371/journal.ppat.1002170 PG 15 WC Microbiology; Parasitology; Virology SC Microbiology; Parasitology; Virology GA 812MR UT WOS:000294298100013 PM 21829366 ER PT J AU McGrane, SD Moore, DS AF McGrane, Shawn D. Moore, David S. TI Continuous Wave Laser Irradiation of Explosives SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Explosives; Heating; Lasers; Safety ID IGNITION AB Quantitative measurements of the levels of continuous wave (CW) laser light that can be safely applied to bare explosives during contact operations were obtained at 532 nm, 785 nm, and 1550 nm wavelengths. A thermal camera was used to record the temperature of explosive pressed pellets and single crystals while they were irradiated using a measured laser power and laser spot size. A visible light image of the sample surface was obtained before and after the laser irradiation. Laser irradiation thresholds were obtained for the onset of any visible change to the explosive sample and for the onset of any visible chemical reaction. Deflagration to detonation transitions were not observed using any of these CW laser wavelengths on single crystals or pressed pellets in the unconfined geometry tested. Except for the photochemistry of DAAF, TATB and PBX 9502, all reactions appeared to be thermal using a 532 nm wavelength laser. For a 1550 nm wavelength laser, no photochemistry was evident, but the laser power thresholds for thermal damage in some of the materials were significantly lower than for the 532 nm laser wavelength. No reactions were observed in any of the studied explosives using the available 300 mW laser at 785 nm wavelength. Tables of laser irradiance damage and reaction thresholds are presented for pressed pellets of PBX9501, PBX9502, Composition B, HMX, TATB, RDX, DAAF, PETN, and TNT and single crystals of RDX, HMX, and PETN for each of the laser wavelengths. C1 [McGrane, Shawn D.; Moore, David S.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA. RP McGrane, SD (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA. EM mcgrane@lanl.gov OI Mcgrane, Shawn/0000-0002-2978-3980 FU US Department of Energy [DE-AC52-06NA25396] FX The authors would like to thank Kyle Ramos for initial powder samples, Tim Pierce for loan of the fiber laser, Dave Oschwald for loan of the FLIR camera, and Stephanie Hagelberg for pressing the many pellets used in these experiments. This work was performed at Los Alamos National Laboratory, 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 9 TC 7 Z9 7 U1 2 U2 21 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0721-3115 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD AUG PY 2011 VL 36 IS 4 BP 327 EP 334 DI 10.1002/prep.201100010 PG 8 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA 818CU UT WOS:000294728200005 ER PT J AU Souers, PC Lewis, P Hoffman, M Cunningham, B AF Souers, P. Clark Lewis, Pat Hoffman, Mark Cunningham, Bruce TI Thermal Expansion of LX-17, PBX 9502, and Ultrafine TATB SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Density; Thermal expansion; LCTE; Strain ID TG POLYMERIC BINDERS; 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TATB; GROWTH AB A large quantity of linear strain and LCTE data from -55 degrees C to 75 degrees C on LX-17, PBX 9502 and ultrafine TATB (ufTATB) is presented. Axial and diametral measurements are blended to give final densities, which agree with the liquid immersion values of Baytos et al. The nominal densities at 21, -55 and 75 degrees C in g.cm(-3) are: LX-17 1.90, 1.920, 1.874; PBX 9502 1.89, 1.907, 1.867; ufTATB 1.80, 1.822, 1.778. Data taken radially show more thermal expansion than that taken transversely in cut-up parts; both must be combined to get the density. There is no difference between virgin and recycled TATB. Rachet growth data is presented, both at low pressure and at higher pressure, where the swelling is diminished. A Kel-F strain curve is presented and the theoretical maximum densities are computed. C1 [Souers, P. Clark; Lewis, Pat; Hoffman, Mark; Cunningham, Bruce] Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP Souers, PC (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. EM souers1@llnl.gov 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 DE-AC52-07NA27344 NR 11 TC 4 Z9 5 U1 1 U2 11 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0721-3115 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD AUG PY 2011 VL 36 IS 4 BP 335 EP 340 DI 10.1002/prep.201000119 PG 6 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA 818CU UT WOS:000294728200006 ER PT J AU Yu, YJ Hearon, K Wilson, TS Maitland, DJ AF Yu, Ya-Jen Hearon, Keith Wilson, Thomas S. Maitland, Duncan J. TI The effect of moisture absorption on the physical properties of polyurethane shape memory polymer foams SO SMART MATERIALS & STRUCTURES LA English DT Article ID THERMOMECHANICAL PROPERTIES; URETHANE; WATER; COMPOSITES; TRANSPORT; FILM AB The effect of moisture absorption on the glass transition temperature (T(g)) and the stress/strain behavior of network polyurethane shape memory polymer (SMP) foams has been investigated. With our ultimate goal of engineering polyurethane SMP foams for use in blood-contacting environments, we have investigated the effects of moisture exposure on the physical properties of polyurethane foams. To the best of our knowledge, this study is the first to investigate the effects of moisture absorption at varying humidity levels (non-immersion and immersion) on the physical properties of polyurethane SMP foams. The SMP foams were exposed to differing humidity levels for varying lengths of time, and they exhibited a maximum water uptake of 8.0% (by mass) after exposure to 100% relative humidity for 96 h. Differential scanning calorimetry results demonstrated that water absorption significantly decreased the T(g) of the foam, with a maximum water uptake shifting the T(g) from 67 to 5 degrees C. Samples that were immersed in water for 96 h and immediately subjected to tensile testing exhibited 100% increases in failure strains and 500% decreases in failure stresses; however, in all cases of time and humidity exposure, the plasticization effect was reversible upon placing moisture-saturated samples in 40% humidity environments for 24 h. C1 [Yu, Ya-Jen; Hearon, Keith; Maitland, Duncan J.] Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77840 USA. [Wilson, Thomas S.; Maitland, Duncan J.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Yu, YJ (reprint author), Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77840 USA. EM djmaitland@tamu.edu FU National Institutes of Health/National Institute of Biomedical Imaging and Bioengineering [R01EB000462]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank Amanda Connor and Brent Volk for discussion and technical support. This work was supported by the National Institutes of Health/National Institute of Biomedical Imaging and Bioengineering Grant R01EB000462 and partially performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 28 TC 17 Z9 18 U1 2 U2 28 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0964-1726 J9 SMART MATER STRUCT JI Smart Mater. Struct. PD AUG PY 2011 VL 20 IS 8 AR 085010 DI 10.1088/0964-1726/20/8/085010 PG 6 WC Instruments & Instrumentation; Materials Science, Multidisciplinary SC Instruments & Instrumentation; Materials Science GA 818PK UT WOS:000294765600014 ER PT J AU Klug, JA Holt, MV Premnath, RN Joshi-Imre, A Hong, S Katiyar, RS Bedzyk, MJ Auciello, O AF Klug, Jeffrey A. Holt, Martin V. Premnath, Ramesh Nath Joshi-Imre, Alexandra Hong, Seungbum Katiyar, Ram S. Bedzyk, Michael J. Auciello, Orlando TI Elastic relaxation and correlation of local strain gradients with ferroelectric domains in (001) BiFeO3 nanostructures SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; PROGRESS AB We report an elastic relaxation and increase in local strain variation correlated with ferroelectric domains within epitaxial BiFeO3 thin film nanostructures fabricated by combined electron-beam and focused ion-beam nanolithography. Nano-focused x-ray diffraction microscopy provided new insights into the relationship between film strain and ferroelectric domains in nanostructures, namely: (i) an out-of-plane (C-axis) elastic relaxation of as much as -1.8% Delta c/c in a BFO film-based nanostructure relative to the planar film lattice constant; (ii) an out-of-plane rotation trending from the center towards all released edges of the nanostructure; and (iii) an increase of inter-domain strain variation within the nanostructure of approximately 10 times the inter-domain variation found within the planar film, correlated with ferroelectric domain boundaries as confirmed by piezoresponse-force microscopy. These results indicate that the release of in-plane BFO/SRO mismatch strain in a planar film is taken up by the local ferroelectric domain structure after patterning, resulting in greatly increased mechanical strain gradients within the structure. (C) 2011 American Institute of Physics. [doi:10.1063/1.3605594] C1 [Klug, Jeffrey A.; Premnath, Ramesh Nath; Hong, Seungbum; Bedzyk, Michael J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Klug, Jeffrey A.; Bedzyk, Michael J.; Auciello, Orlando] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Holt, Martin V.; Joshi-Imre, Alexandra; Auciello, Orlando] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Premnath, Ramesh Nath; Katiyar, Ram S.] Univ Puerto Rico, Dept Phys, San Juan, PR 00931 USA. [Premnath, Ramesh Nath; Katiyar, Ram S.] Univ Puerto Rico, Inst Funct Nanomat, San Juan, PR 00931 USA. [Bedzyk, Michael J.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Bedzyk, Michael J.] Northwestern Univ, Mat Res Ctr, Evanston, IL 60208 USA. RP Klug, JA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM auciello@anl.gov RI Bedzyk, Michael/B-7503-2009; Joshi-Imre, Alexandra/A-2912-2010; Hong, Seungbum/B-7708-2009; Klug, Jeffrey/A-3653-2013; Bedzyk, Michael/K-6903-2013 OI Joshi-Imre, Alexandra/0000-0002-4271-1623; Hong, Seungbum/0000-0002-2667-1983; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Work in the Materials Science Division and use of the Advanced Photon Source and the Center for Nanoscale Materials were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 12 TC 7 Z9 7 U1 1 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD AUG 1 PY 2011 VL 99 IS 5 AR 052902 DI 10.1063/1.3605594 PG 3 WC Physics, Applied SC Physics GA 803XV UT WOS:000293617300056 ER PT J AU Li, DF Deng, B Xue, SW Wang, ZG Gao, F AF Li, Dengfeng Deng, Bo Xue, Shuwen Wang, Zhiguo Gao, Fei TI Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor SO APPLIED PHYSICS LETTERS LA English DT Article ID VAPOR-PHASE EPITAXY; DOPING ASYMMETRY; SINGLE-CRYSTALS; AG AB Based on first-principles calculations, we explored a good candidate for achieving low-resistance and high carrier concentration of n-type ZnS by a dual-donor codoping method, where the ionization energy was effectively reduced. We found that the Sn(Zn)-F(S) pair has a shallow donor level of 17.2 meV, a small formation energy of 1.27 eV and a high binding energy of 1.28 eV. The density of states analysis showed that the Sn(Zn)-F(S) pair induces the downward shift of the conduction band minimum by about 0.15 eV, while the basis electronic structure does not change. Thus, the Sn(Zn)-F(S) pair is likely to be a best n-type dopant for ZnS. (C) 2011 American Institute of Physics. [doi:10.1063/1.3624531] C1 [Li, Dengfeng; Deng, Bo] Chongqing Univ Posts & Telecommun, Dept Math & Phys, Chongqing 400065, Peoples R China. [Wang, Zhiguo] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. [Xue, Shuwen] Zhanjiang Normal Coll, Dept Phys, Zhanjiang 524048, Peoples R China. [Gao, Fei] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Li, DF (reprint author), Chongqing Univ Posts & Telecommun, Dept Math & Phys, Chongqing 400065, Peoples R China. EM lidf@cqupt.edu.cn; fei.gao@pnl.gov RI Gao, Fei/H-3045-2012; Wang, Zhiguo/B-7132-2009 FU National Natural Science Foundation of China [10947102]; Foundation of Education Committees of Chongqing [KJ090503]; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy FX This work was supported by the Special Funds of the National Natural Science Foundation of China (Grant No. 10947102) and the Foundation of Education Committees of Chongqing (Grant No. KJ090503). F. G. was supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy. NR 25 TC 3 Z9 3 U1 1 U2 24 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD AUG 1 PY 2011 VL 99 IS 5 AR 052109 DI 10.1063/1.3624531 PG 3 WC Physics, Applied SC Physics GA 803XV UT WOS:000293617300040 ER PT J AU Muramatsu, T Pham, D Chu, CW AF Muramatsu, T. Pham, D. Chu, C. W. TI A possible pressure-induced superconducting-semiconducting transition in nearly optimally doped single crystalline YBa2Cu3O7-delta SO APPLIED PHYSICS LETTERS LA English DT Article ID LITHIUM AB The pressure effect on the single-crystalline, nearly optimally doped high temperature cuprate superconductor YBa2Cu3O7-delta with a sharp ambient transition temperature of 90.7 K has been investigated resistively up to 29 GPa. An abrupt disappearance of superconductivity at 60 K under similar to 24 GPa was detected, accompanied by a thermally activated resistance, suggesting a possible pressure-induced superconducting-semiconducting transition. By comparing the present results with those of recent high pressure work on Bi2Sr2Ca2Cu3O10-delta, it is proposed that the control of such electronic instabilities may further help raise the superconducting transition temperature record of 164 K in tri-layer cuprate superconductors by pressures. (C) 2011 American Institute of Physics. [doi:10.1063/1.3623475] C1 [Muramatsu, T.] Univ Houston, Dept Phys, Houston, TX 77204 USA. Univ Houston, TCSUH, Houston, TX 77204 USA. [Chu, C. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Muramatsu, T (reprint author), Univ Houston, Dept Phys, Houston, TX 77204 USA. EM cwchu@uh.edu FU AFOSR [FA9550-09-1-0656]; DoE through ORNL [4000086706]; AFRL through Rice University [R15901 (CONTACT)]; T. L. L. Temple Foundation; TCSUH FX The work in Houston is supported in part by AFOSR No. FA9550-09-1-0656, DoE subcontract 4000086706 through ORNL, AFRL subcontract R15901 (CONTACT) through Rice University, the T. L. L. Temple Foundation, and TCSUH; and at LBNL by the Director, Office of Science, OBES, DMSE, and DoE. NR 17 TC 5 Z9 5 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD AUG 1 PY 2011 VL 99 IS 5 AR 052508 DI 10.1063/1.3623475 PG 3 WC Physics, Applied SC Physics GA 803XV UT WOS:000293617300048 ER PT J AU Murari, NM Hong, S Lee, HN Katiyar, RS AF Murari, Nishit M. Hong, Seungbum Lee, Ho Nyung Katiyar, Ram. S. TI Direct observation of fatigue in epitaxially grown Pb(Zr,Ti)O-3 thin films using second harmonic piezoresponse force microscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID FERROELECTRIC MEMORIES; CAPACITORS AB Here, we present a direct observation of fatigue phenomena in epitaxially grown Pb(Zr0.2Ti0.8)O-3 (PZT) thin films using second harmonic piezoresponse force microscopy (SH-PFM). We observed strong correlation between the SH-PFM amplitude and phase signals with the remnant piezoresponse at different switching cycles. The SH-PFM results indicate that the average fraction of switchable domains decreases globally and the phase delays of polarization switching differ locally. In addition, we found that the fatigue developed uniformly over the whole area without developing region-by-region suppression of switchable polarization as in polycrystalline PZT thin films. (C) 2011 American Institute of Physics. [doi:10.1063/1.3619839] C1 [Murari, Nishit M.; Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Murari, Nishit M.; Katiyar, Ram. S.] Univ Puerto Rico, Dept Phys, San Juan, PR 00931 USA. [Murari, Nishit M.; Katiyar, Ram. S.] Univ Puerto Rico, Inst Funct Nano Mat, San Juan, PR 00931 USA. [Lee, Ho Nyung] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Hong, S (reprint author), Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. EM hong@anl.gov RI Hong, Seungbum/B-7708-2009; Murari, Nishit/A-5089-2009; Lee, Ho Nyung/K-2820-2012; Murari, Nishit/D-2881-2015 OI Hong, Seungbum/0000-0002-2667-1983; Lee, Ho Nyung/0000-0002-2180-3975; FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; DoE [FG02-08ER46526] FX The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. The work at Oak Ridge National Laboratory was sponsored by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Financial support under the Grant DoE FG02-08ER46526 is acknowledged. NR 14 TC 4 Z9 4 U1 3 U2 34 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD AUG 1 PY 2011 VL 99 IS 5 AR 052904 DI 10.1063/1.3619839 PG 3 WC Physics, Applied SC Physics GA 803XV UT WOS:000293617300058 ER PT J AU Kleis, J Greeley, J Romero, NA Morozov, VA Falsig, H Larsen, AH Lu, J Mortensen, JJ Dulak, M Thygesen, KS Norskov, JK Jacobsen, KW AF Kleis, J. Greeley, J. Romero, N. A. Morozov, V. A. Falsig, H. Larsen, A. H. Lu, J. Mortensen, J. J. Dulak, M. Thygesen, K. S. Norskov, J. K. Jacobsen, K. W. TI Finite Size Effects in Chemical Bonding: From Small Clusters to Solids SO CATALYSIS LETTERS LA English DT Article DE Nano-particle; Size effects; DFT ID METAL NANOPARTICLES; GOLD CLUSTERS; OXIDATION; CATALYSIS; CHEMISTRY; SURFACES; ATOMS AB We address the fundamental question of which size a metallic nano-particle needs to have before its surface chemical properties can be considered to be those of a solid, rather than those of a large molecule. Calculations of adsorption energies for carbon monoxide and oxygen on a series of gold nanoparticles ranging from 13 to 1,415 atoms, or 0.8-3.7 nm, have been made possible by exploiting massively parallel computing on up to 32,768 cores on the Blue Gene/P computer at Argonne National Laboratory. We show that bulk surface properties are obtained for clusters larger than ca. 560 atoms (2.7 nm). Below that critical size, finite-size effects can be observed, and we show those to be related to variations in the local atomic structure augmented by quantum size effects for the smallest clusters. C1 [Kleis, J.; Falsig, H.; Larsen, A. H.; Lu, J.; Mortensen, J. J.; Dulak, M.; Thygesen, K. S.; Norskov, J. K.; Jacobsen, K. W.] Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Design, DK-2800 Lyngby, Denmark. [Greeley, J.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Romero, N. A.; Morozov, V. A.] Argonne Natl Lab, Leadership Comp Facil, Argonne, IL 60439 USA. [Norskov, J. K.] SUNCAT Ctr Interface Sci & Catalysis, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Norskov, J. K.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. RP Jacobsen, KW (reprint author), Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Design, Bldg 307, DK-2800 Lyngby, Denmark. EM norskov@stanford.edu; kwj@fysik.dtu.dk RI Thygesen, Kristian /B-1062-2011; Jacobsen, Karsten/B-3602-2009; Larsen, Ask Hjorth/I-6888-2013; Norskov, Jens/D-2539-2017 OI Thygesen, Kristian /0000-0001-5197-214X; Jacobsen, Karsten/0000-0002-1121-2979; Larsen, Ask Hjorth/0000-0001-5267-6852; Norskov, Jens/0000-0002-4427-7728 FU Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Lundbeck Foundation FX This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. The researchers' use of Argonne's Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, also under contract No. DE-AC02-06CH11357. Additional support from the Office of Science of the U.S. Department of Energy to the SUNCAT Center for Interface Science and Catalysis at SLAC/Stanford, the NABIIT program under the Danish Strategic Research Council, and from the Lundbeck Foundation to the Center for Atomic-scale Materials Design at DTU is gratefully acknowledged. NR 27 TC 86 Z9 86 U1 7 U2 119 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD AUG PY 2011 VL 141 IS 8 BP 1067 EP 1071 DI 10.1007/s10562-011-0632-0 PG 5 WC Chemistry, Physical SC Chemistry GA 804CX UT WOS:000293632800002 ER PT J AU Sereda, G Kim, T Jones, A Khatri, H Marshall, CL Subramanian, H Koodali, RT AF Sereda, Grigoriy Kim, Taejin Jones, Aubrey Khatri, Hari Marshall, Christopher L. Subramanian, H. Koodali, Ranjit T. TI Phthalocyanine- and Calixarene-Templating Effect on the Catalytic Performance of Solid Supported Vanadates SO CATALYSIS LETTERS LA English DT Article DE Supported catalysts; Oxidation; Heterogeneous catalysis; Catalysis ID VANADIUM-OXIDE CATALYSTS; TEMPERATURE-PROGRAMMED REDUCTION; DIFFUSE-REFLECTANCE SPECTROSCOPY; OXIDATIVE DEHYDROGENATION; MESOPOROUS MATERIALS; RAMAN-SPECTROSCOPY; MOLECULAR-SIEVES; SURFACE; UV; REACTIVITY AB Catalytic performance of solid supported monovanadate catalysts toward oxidation of propane is significantly affected by the templating effect of: (1) pretreatment of the solid support with calixarene derivatives before deposition of ammonium vanadate, (2) direct deposition of vanadyl phthalocyanine as the vanadate precursor. This effect is believed to be linked to the accessibility of the active sites, and was studied in comparison with a reference mesoporous support. C1 [Sereda, Grigoriy; Jones, Aubrey; Khatri, Hari; Subramanian, H.; Koodali, Ranjit T.] Univ S Dakota, Dept Chem, Vermillion, SD 57069 USA. [Kim, Taejin; Marshall, Christopher L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Sereda, G (reprint author), Univ S Dakota, Dept Chem, 414 E Clark St, Vermillion, SD 57069 USA. EM gsereda@usd.edu; taejin@anl.gov; Aubrey.Jones@usd.edu; Hari.Khatri@usd.edu; Marshall@anl.gov; hbkchem@gmail.com; Ranjit.Koodali@usd.edu RI Koodali, Ranjit/E-5595-2011; KIM, TAE JIN/M-7994-2014; Marshall, Christopher/D-1493-2015 OI Koodali, Ranjit/0000-0002-2790-3053; KIM, TAE JIN/0000-0002-0096-303X; Marshall, Christopher/0000-0002-1285-7648 FU Office of Science, Office of Biological & Environmental Research, Biological Systems Science Division, of the U.S. Department of Energy [DE-FG02-08ER64624, NSF-CHE0722632]; NSF (EPSCoR) [0554609, 0903804]; State of South Dakota; University of South Dakota; NSF NPURC [0532242]; U.S. Department of Energy, Office of Basic Energy Science [W-31-109-ENG-38, DE-FG02-03-ER15457] FX This work has been supported by the Director, Office of Science, Office of Biological & Environmental Research, Biological Systems Science Division, of the U.S. Department of Energy under Contract No. DE-FG02-08ER64624, NSF-CHE0722632, NSF (EPSCoR Grants No. 0554609 and 0903804), and by the State of South Dakota, University of South Dakota (Research Excellence Development award, U. Discover Program), NSF NPURC Grant 0532242 (support for Aubrey Jones and purchase of the elemental analyzer). We thank Mr. Bruce Gray for performing elemental analyses. Taejin Kim and Christopher L. Marshall acknowledge the U.S. Department of Energy, Office of Basic Energy Science, under Contract W-31-109-ENG-38 and DE-FG02-03-ER15457. NR 45 TC 3 Z9 3 U1 0 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD AUG PY 2011 VL 141 IS 8 BP 1086 EP 1096 DI 10.1007/s10562-011-0662-7 PG 11 WC Chemistry, Physical SC Chemistry GA 804CX UT WOS:000293632800005 ER PT J AU Collier, CP Simpson, ML AF Collier, C. Patrick Simpson, Michael L. TI Micro/nanofabricated environments for synthetic biology SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID MODE WAVE-GUIDES; MICROFLUIDIC DEVICES; ENZYME-KINETICS; KINASE-ACTIVITY; DROPLETS; CELLS; INTERFACES; TRANSPORT; RESOLUTION; MOLECULES AB A better understanding of how confinement, crowding and reduced dimensionality modulate reactivity and reaction dynamics will aid in the rational and systematic discovery of functionality in complex biological systems. Artificial microfabricated and nanofabricated structures have helped elucidate the effects of nanoscale spatial confinement and segregation on biological behavior, particularly when integrated with microfluidics, through precise control in both space and time of diffusible signals and binding interactions. Examples of nanostructured interfaces for synthetic biology include the development of cell-like compartments for encapsulating biochemical reactions, nanostructured. environments for fundamental studies of diffusion, molecular transport and biochemical reaction kinetics, and regulation of biomolecular interactions as functions of microfabricated and nanofabricated topological constraints. C1 [Collier, C. Patrick; Simpson, Michael L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Collier, CP (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM colliercp@ornl.gov RI Simpson, Michael/A-8410-2011; Collier, Charles/C-9206-2016 OI Simpson, Michael/0000-0002-3933-3457; Collier, Charles/0000-0002-8198-793X FU Center for Nanophase Materials Sciences; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy at Oak Ridge National Laboratory FX We acknowledge support from the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. We thank Scott Retterer of the Center for Nanophase Materials Sciences for contributions to the manuscript. NR 122 TC 11 Z9 11 U1 4 U2 60 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD AUG PY 2011 VL 22 IS 4 BP 516 EP 526 DI 10.1016/j.copbio.2011.05.002 PG 11 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 815LD UT WOS:000294526200007 PM 21636262 ER PT J AU Zhou, N Fridley, D McNeil, M Zheng, NN Letschert, V Ke, J Saheb, Y AF Zhou, Nan Fridley, David McNeil, Michael Zheng, Nina Letschert, Virginie Ke, Jing Saheb, Yamina TI Analysis of potential energy saving and CO2 emission reduction of home appliances and commercial equipments in China SO ENERGY POLICY LA English DT Article DE China; Appliance; Energy efficiency ID STANDARDS AB China has implemented a series of minimum energy performance standards (MEPS) for over 30 appliances, voluntary energy efficiency label for 40 products, and a mandatory energy information label that covers 19 products to date. However, the impact of these programs and their savings potential has not been evaluated on a consistent basis. This paper uses modeling to estimate the energy saving and CO2 emission reduction potential of the appliances standard and labeling program for products for which standards are currently in place, under development or those proposed for development in 2010 under three scenarios that differ in the pace and stringency of MEPS development. In addition to a baseline "frozen efficiency" scenario at 2009 MEPS level, the "Continued Improvement Scenario" (CIS) reflects the likely pace of post-2009 MEPS revisions, and the likely improvement at each revision step. The "Best Practice Scenario" (BPS) examined the potential of an achievement of international best-practice efficiency in broad commercial use today in 2014. This paper concludes that under "CIS", cumulative electricity consumption could be reduced by 9503 TWh, and annual CO2 emissions of energy used for all 37 products would be 16% lower than in the frozen efficiency scenario. Under a "BPS" scenario for a subset of products, cumulative electricity savings would be 5450 TWh and annual CO2 emissions reduction of energy used for 11 appliances would be 35% lower. Published by Elsevier Ltd. C1 [Zhou, Nan; Fridley, David; McNeil, Michael; Zheng, Nina; Letschert, Virginie; Ke, Jing] Univ Calif Berkeley, Lawrence Berkeley Lab, Energy Anal Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Saheb, Yamina] OpenExp, Paris 75, Ile De France, France. RP Zhou, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Energy Anal Dept, Environm Energy Technol Div, 1 Cyclotron Rd,MS 90R4000, Berkeley, CA 94720 USA. EM NZhou@lbl.gov RI Ke, Jing/H-4816-2016 OI Ke, Jing/0000-0002-5972-8042 FU Energy Foundation; Collaborative Labeling and Appliance Standards Program (CLASP); China National Institute of Standardization (CNIS) FX We would like to thank The China Sustainable Energy Program (CSEP) of the Energy Foundation, Collaborative Labeling and Appliance Standards Program (CLASP), and China National Institute of Standardization (CNIS) for their support. NR 14 TC 18 Z9 18 U1 2 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD AUG PY 2011 VL 39 IS 8 SI SI BP 4541 EP 4550 DI 10.1016/j.enpol.2011.04.027 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 796LG UT WOS:000293052200014 ER PT J AU Sathaye, J Andrasko, K Chan, P AF Sathaye, Jayant Andrasko, Kenneth Chan, Peter TI Emissions scenarios, costs, and implementation considerations of REDD-plus programs SO ENVIRONMENT AND DEVELOPMENT ECONOMICS LA English DT Article ID CARBON SEQUESTRATION AB Greenhouse gas emissions from the forestry sector are estimated to be 8.4 GtCO(2)-eq./year or about 17% of the global emissions. We estimate that the cost for reducing deforestation is low in Africa and several times higher in Latin America and Southeast Asia. These cost estimates are sensitive to the uncertainties of how much unsustainable high-revenue logging occurs, little understood transaction and program implementation costs, and barriers to implementation including governance issues. Due to lack of capacity in the affected countries, achieving reduction or avoidance of carbon emissions will require extensive REDD-plus programs. Preliminary REDD-plus Readiness cost estimates and program descriptions for Indonesia, Democratic Republic of the Congo, Ghana, Guyana and Mexico show that roughly one-third of potential REDD-plus mitigation benefits might come from avoided deforestation and the rest from avoided forest degradation and other REDD-plus activities. C1 [Sathaye, Jayant; Chan, Peter] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Andrasko, Kenneth] World Bank, Carbon Finance Unit, Washington, DC 20433 USA. RP Sathaye, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, MS 90-4000,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jasathaye@lbl.gov; kandrasko@worldbank.org; ptchan@lbl.gov NR 30 TC 8 Z9 8 U1 1 U2 13 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1355-770X J9 ENVIRON DEV ECON JI Environ. Dev. Econ. PD AUG PY 2011 VL 16 SI SI BP 361 EP 380 DI 10.1017/S1355770X11000052 PN 4 PG 20 WC Environmental Studies SC Environmental Sciences & Ecology GA 813OO UT WOS:000294377000002 ER PT J AU Aaltonen, T AlvarezGonzalez, B Amerio, S Anastassov, A Annovi, A Antos, J Apollinari, G Apresyan, A Arisawa, T Artikov, A Asaadi, J Ashmanskas, W Auerbach, B Aurisano, A Azfar, F Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Barria, P Bartos, P Bauce, M Bedeschi, F Beecher, D Behari, S Bellettini, G Bellinger, J Benjamin, D Beretvas, A Bhatti, A Binkley, M Bisello, D Bizjak, I Bland, KR Blumenfeld, B Bocci, A Bodek, A Bortoletto, D Boudreau, J Boveia, A Brau, B Brigliadori, L Brisuda, A Bromberg, C Brucken, E Bucciantonio, M Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Buzatu, A Calancha, C Camarda, S Campanelli, M Campbell, M Canelli, F Carls, B Carlsmith, D Carosi, R Carrillo, S Carron, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chen, YC Chiarelli, G Chlachidze, G Chlebana, F Cho, K Chokheli, D Chou, JP Chung, WH Chung, YS Ciobanu, CI Ciocci, MA Clark, A Clarke, C Compostella, G Convery, ME Corbo, M Cordelli, M Cox, CA Cox, DJ Crescioli, F Almenar, CC Cuevas, J Dagenhart, D d'Ascenzo, N Datta, M de Barbaro, P De Cecco, S De Lorenzo, G Dell'Orso, M Deluca, C Demortier, L Deng, J Deninno, M Devoto, F d'Errico, M Di Canto, A Di Ruzza, B Dittmann, JR D'Onofrio, M Donati, S Dong, P Dorigo, M Dorigo, T Ebina, K Elagin, A Eppig, A Erbacher, R Errede, D Errede, S Ershaidat, N Eusebi, R Fang, HC Fernandez, JP Ferrazza, C Field, R Flanagan, G Forrest, R Frank, MJ Franklin, M Freeman, JC Funakoshi, Y Furic, I Gallinaro, M Galyardt, J Garcia, JE Garfinkel, AF Garosi, P Gerberich, H Gerchtein, E Giagu, S Giakoumopoulou, V Giannetti, P Gibson, K Ginsburg, CM Giokaris, N Giromini, P Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldin, D Goldschmidt, N Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Goulianos, K Grinstein, S Grosso-Pilcher, C Group, RC da Costa, JG Gunay-Unalan, Z Haber, C Hahn, SR Halkiadakis, E Hamaguchi, A Han, JY Happacher, F Hara, K Hare, D Hare, M Harr, RF Hatakeyama, K Herndon, M Hewamanage, S Hidas, D Hocker, A Hopkins, W Hou, S Hughes, RE Hurwitz, M Husemann, U Hussain, N Hussein, M Huston, J Introzzi, G Iori, M Ivanov, A Jang, D Jayatilaka, B Jeon, EJ Jha, MK Jindariani, S Johnson, W Jones, M Joo, KK Jun, SY Junk, TR Kamon, T Kasmi, A Kato, Y Ketchum, W Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, HW Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kimura, N Kirby, M Klimenko, S Kondo, K Kong, DJ Konigsberg, J Krop, D Krumnack, N Kruse, M Krutelyov, V Kurata, M Kwang, S Laasanen, AT Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lee, E Lee, HS Lee, JS Lee, SW Leo, S Leone, S Lewis, JD Limosani, A Lin, CJ Linacre, J Lindgren, M Lister, A Litvintsev, DO Liu, C Liu, Q Liu, T Lockwitz, S Loginov, A Lucchesi, D Lujan, P Lukens, P Lungu, G Lys, J Lysak, R Madrak, R Maeshima, K Makhoul, K Malik, S Manca, G Manousakis-Katsikakis, A Margaroli, F Martinez, M Martinez-Ballarin, R Mastrandrea, P Mattson, ME Mazzanti, P McFarland, KS McIntyre, P McNulty, R Mehta, A Mehtala, P Menzione, A Mesropian, C Miao, T Mietlicki, D Mitra, A Miyake, H Moed, S Moggi, N Mondragon, MN Moon, CS Moore, R Morello, MJ Fernandez, PM Mukherjee, A Mussini, M Nachtman, J Nagai, Y Naganoma, J Nakano, I Napier, A Nett, J Neu, C Neubauer, MS Nielsen, J Norniella, O Nurse, E Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Ortolan, L Griso, SP Pagliarone, C Palencia, E Papadimitriou, V Patrick, J Pauletta, G Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Pilot, J Pitts, K Plager, C Pondrom, L Potamianos, K Poukhov, O Prokoshin, F Pronko, A Ptohos, F Pueschel, E Punzi, G Pursley, J Rahaman, A Ramakrishnan, V Ranjan, N Redondo, I Rescigno, M Riddick, T Rimondi, F Ristori, L Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rubbo, F Ruffini, F Ruiz, A Russ, J Rusu, V Safonov, A Sakumoto, WK Sakurai, Y Santi, L Sartori, L Sato, K Saveliev, V Savoy-Navarro, A Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Sforza, F Sfyrla, A Shalhout, SZ Shears, T Shepard, PF Shimojima, M Shiraishi, S Shochet, M Shreyber, I Simonenko, A Sinervo, P Sissakian, A Sliwa, K Smith, JR Snider, FD Soha, A Somalwar, S Sorin, V Squillacioti, P Stancari, M Stanitzki, M Denis, RS Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Strycker, GL Sudo, Y Sukhanov, A Suslov, I Takemasa, K Takeuchi, Y Tang, J Tecchio, M Teng, PK Thom, J Thome, J Thompson, GA Ttito-Guzman, P Tkaczyk, S Toback, D Tokar, S Tollefson, K Tomura, T Torre, S Torretta, D Totaro, P Trovato, M Ukegawa, F Uozumi, S Varganov, A Vazquez, F Velev, G Vellidis, C Vidal, M Vila, I Vilar, R Vizan, J Vogel, M Volpi, G Wagner, RL Wakisaka, T Wallny, R Wang, SM Warburton, A Waters, D Weinberger, M Whitehouse, B Wicklund, AB Wicklund, E Wilbur, S Wilson, JS Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, H Wright, T Wu, X Wu, Z Yamamoto, K Yamaoka, J Yang, T Yang, UK Yang, YC Yao, WM Yeh, GP Yi, K Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Yu, SS Yun, JC Zanetti, A Zeng, Y Zucchelli, S AF Aaltonen, T. AlvarezGonzalez, B. Amerio, S. Anastassov, A. Annovi, A. Antos, J. Apollinari, G. Apresyan, A. Arisawa, T. Artikov, A. Asaadi, J. Ashmanskas, W. Auerbach, B. Aurisano, A. Azfar, F. Badgett, W. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Barria, P. Bartos, P. Bauce, M. Bedeschi, F. Beecher, D. Behari, S. Bellettini, G. Bellinger, J. Benjamin, D. Beretvas, A. Bhatti, A. Binkley, M. Bisello, D. Bizjak, I. Bland, K. R. Blumenfeld, B. Bocci, A. Bodek, A. Bortoletto, D. Boudreau, J. Boveia, A. Brau, B. Brigliadori, L. Brisuda, A. Bromberg, C. Brucken, E. Bucciantonio, M. Budagov, J. Budd, H. S. Budd, S. Burkett, K. Busetto, G. Bussey, P. Buzatu, A. Calancha, C. Camarda, S. Campanelli, M. Campbell, M. Canelli, F. Carls, B. Carlsmith, D. Carosi, R. Carrillo, S. Carron, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavaliere, V. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chen, Y. C. Chiarelli, G. Chlachidze, G. Chlebana, F. Cho, K. Chokheli, D. Chou, J. P. Chung, W. H. Chung, Y. S. Ciobanu, C. I. Ciocci, M. A. Clark, A. Clarke, C. Compostella, G. Convery, M. E. Corbo, M. Cordelli, M. Cox, C. A. Cox, D. J. Crescioli, F. Almenar, C. Cuenca Cuevas, J. Dagenhart, D. d'Ascenzo, N. Datta, M. de Barbaro, P. De Cecco, S. De Lorenzo, G. Dell'Orso, M. Deluca, C. Demortier, L. Deng, J. Deninno, M. Devoto, F. d'Errico, M. Di Canto, A. Di Ruzza, B. Dittmann, J. R. D'Onofrio, M. Donati, S. Dong, P. Dorigo, M. Dorigo, T. Ebina, K. Elagin, A. Eppig, A. Erbacher, R. Errede, D. Errede, S. Ershaidat, N. Eusebi, R. Fang, H. C. Fernandez, J. P. Ferrazza, C. Field, R. Flanagan, G. Forrest, R. Frank, M. J. Franklin, M. Freeman, J. C. Funakoshi, Y. Furic, I. Gallinaro, M. Galyardt, J. Garcia, J. E. Garfinkel, A. F. Garosi, P. Gerberich, H. Gerchtein, E. Giagu, S. Giakoumopoulou, V. Giannetti, P. Gibson, K. Ginsburg, C. M. Giokaris, N. Giromini, P. Giunta, M. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldin, D. Goldschmidt, N. Golossanov, A. Gomez, G. 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CA CDF Collaboration TI Improved determination of the sample composition of dimuon events produced in p(p)over-bar collisions at root s=1.96 TeV SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID LUMINOSITY MONITOR; CROSS-SECTION; CDF; DETECTOR; SIMULATION; SYSTEM; ORDER AB We use a new method to estimate with 5% accuracy the contribution of pion and kaon in-flight-decays to the dimuon data set acquired with the CDF detector. Based on this improved estimate, we show that the total number and the properties of the collected dimuon events are not yet accounted for by ordinary sources of dimuons which also include the contributions, as measured in the data, of heavy flavor, gamma, and Drell-Yan production in addition to muons mimicked by hadronic punchthrough. The number of unaccounted events corresponds to (12.8 +/- 3.2)% of the b (b) over bar production. We find that (23 +/- 6)% of the unaccounted events contain additional muon candidates. 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EM ptohos@fnal.gov RI Prokoshin, Fedor/E-2795-2012; Canelli, Florencia/O-9693-2016; Ruiz, Alberto/E-4473-2011; Moon, Chang-Seong/J-3619-2014; Scodellaro, Luca/K-9091-2014; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; Zanetti, Anna/I-3893-2012; manca, giulia/I-9264-2012; Amerio, Silvia/J-4605-2012; Punzi, Giovanni/J-4947-2012; Zeng, Yu/C-1438-2013; Annovi, Alberto/G-6028-2012; Ivanov, Andrew/A-7982-2013; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014; Grinstein, Sebastian/N-3988-2014; Russ, James/P-3092-2014; unalan, zeynep/C-6660-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Chiarelli, Giorgio/E-8953-2012; Introzzi, Gianluca/K-2497-2015; Piacentino, Giovanni/K-3269-2015; Martinez Ballarin, Roberto/K-9209-2015; Gorelov, Igor/J-9010-2015 OI Prokoshin, Fedor/0000-0001-6389-5399; Canelli, Florencia/0000-0001-6361-2117; Ruiz, Alberto/0000-0002-3639-0368; Moon, Chang-Seong/0000-0001-8229-7829; Scodellaro, Luca/0000-0002-4974-8330; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Ivanov, Andrew/0000-0002-9270-5643; Warburton, Andreas/0000-0002-2298-7315; Grinstein, Sebastian/0000-0002-6460-8694; Russ, James/0000-0001-9856-9155; unalan, zeynep/0000-0003-2570-7611; ciocci, maria agnese /0000-0003-0002-5462; Chiarelli, Giorgio/0000-0001-9851-4816; Introzzi, Gianluca/0000-0002-1314-2580; Piacentino, Giovanni/0000-0001-9884-2924; Martinez Ballarin, Roberto/0000-0003-0588-6720; Gorelov, Igor/0000-0001-5570-0133 FU U.S. Department of Energy; National Science Foundation; Italian Istituto Nazionale di Fisica Nucleare; Ministry of Education, Culture, Sports, Science and Technology of Japan; Natural Sciences and Engineering Research Council of Canada; National Science Council of the Republic of China; Swiss National Science Foundation; A.P. Sloan Foundation; Korean World Class University; National Research Foundation of Korea; Science and Technology Facilities Council; Royal Society, UK; Institut National de Physique Nucleaire et Physique des Particules/CNRS; Russian Foundation for Basic Research; Ministerio de Ciencia e Innovacion; Programa Consolider-Ingenio, Spain; Slovak RD Agency; Academy of Finland; Australian Research Council (ARC) FX We thank the Fermilab staff and the technical staffs of the participating institutions for their vital contributions. This work was supported by the U.S. Department of Energy and National Science Foundation; the Italian Istituto Nazionale di Fisica Nucleare; the Ministry of Education, Culture, Sports, Science and Technology of Japan; the Natural Sciences and Engineering Research Council of Canada; the National Science Council of the Republic of China; the Swiss National Science Foundation; the A.P. Sloan Foundation; the Korean World Class University Program, the National Research Foundation of Korea; the Science and Technology Facilities Council and the Royal Society, UK; the Institut National de Physique Nucleaire et Physique des Particules/CNRS; the Russian Foundation for Basic Research; the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; the Slovak R&D Agency; the Academy of Finland; and the Australian Research Council (ARC). NR 32 TC 1 Z9 1 U1 2 U2 19 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD AUG PY 2011 VL 71 IS 8 AR 1720 DI 10.1140/epjc/s10052-011-1720-4 PG 14 WC Physics, Particles & Fields SC Physics GA 814SF UT WOS:000294476700017 ER PT J AU Buchmueller, O Cavanaugh, R Colling, D De Roeck, A Dolan, MJ Ellis, JR Flacher, H Heinemeyer, S Isidori, G Santos, DM Olive, KA Rogerson, S Ronga, FJ Weiglein, G AF Buchmueller, O. Cavanaugh, R. Colling, D. De Roeck, A. Dolan, M. J. Ellis, J. R. Flaecher, H. Heinemeyer, S. Isidori, G. Santos, D. Martinez Olive, K. A. Rogerson, S. Ronga, F. J. Weiglein, G. TI Supersymmetry and dark matter in light of LHC 2010 and XENON100 data SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID EVEN HIGGS BOSONS; LARGE TAN-BETA; RELIC DENSITY; MINIMAL SUPERGRAVITY; STANDARD MODEL; MSSM; PROGRAM; LEP; CONSTRAINTS; PHYSICS AB We make frequentist analyses of the CMSSM, NUHM1, VCMSSM and mSUGRA parameter spaces taking into account all the public results of searches for supersymmetry using data from the 2010 LHC run and the XENON100 direct search for dark matter scattering. The LHC data set includes ATLAS and CMS searches for jets + (E) over barT events (with or without leptons) and for the heavier MSSM Higgs bosons, and the upper limit on BR(B-s -> mu(+)mu(-)) including data from LHCb as well as CDF and DO. The absence of signals in the LHC data favours somewhat heavier mass spectra than in our previous analyses of the CMSSM, NUHM1 and VCMSSM, and somewhat smaller dark matter scattering cross sections, all close to or within the pre-LHC 68% CL ranges, but does not impact significantly the favoured regions of the mSUGRA parameter space. We also discuss the impact of the XENON100 constraint on spin-independent dark matter scattering, stressing the importance of taking into account the uncertainty in the pi-nucleon sigma term Sigma(pi N), which affects the spin-independent scattering matrix element, and we make predictions for spin-dependent dark matter scattering. Finally, we discuss briefly the potential impact of the updated predictions for sparticle masses in the CMSSM, NUHM1, VCMSSM and mSUGRA on future e(+)e(-) colliders. C1 [Buchmueller, O.; Colling, D.; Rogerson, S.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, High Energy Phys Grp, London SW7 2AZ, England. [Cavanaugh, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Cavanaugh, R.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [De Roeck, A.; Ellis, J. R.; Santos, D. Martinez] CERN, CH-1211 Geneva 23, Switzerland. [De Roeck, A.] Univ Antwerp, B-2610 Antwerp, Belgium. [Dolan, M. J.] Univ Durham, Inst Particle Phys Phenomenol, Durham DH1 3LE, England. [Ellis, J. R.] Kings Coll London, Dept Phys, Theoret Phys & Cosmol Grp, London WC2R 2LS, England. [Flaecher, H.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Heinemeyer, S.] CSIC UC, Inst Fis Cantabria, Santander 39005, Spain. [Isidori, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Olive, K. A.] Univ Minnesota, William I Fine Theoret Phys Inst, Minneapolis, MN 55455 USA. [Ronga, F. J.] ETH, Inst Particle Phys, CH-8093 Zurich, Switzerland. [Weiglein, G.] DESY, D-22607 Hamburg, Germany. RP Buchmueller, O (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, High Energy Phys Grp, Prince Consort Rd, London SW7 2AZ, England. EM olive@physics.umn.edu RI Ellis, John/J-2222-2012; Martinez Santos, Diego/I-2743-2015; OI Ellis, John/0000-0002-7399-0813; Martinez Santos, Diego/0000-0002-6438-4483; Olive, Keith/0000-0001-7201-5998; DOLAN, MATTHEW/0000-0003-3420-8718 FU European Research Council [267352]; CI-CYT [FPA 2010-22163-C02-01]; Spanish MICINN [MultiDark CSD2009-00064]; DOE at the University of Minnesota [DE-FG02-94ER-40823]; DOE [DE-AC02-76SF00515]; Stanford Institute for Theoretical Physics FX The work of O.B., M.J.D. and J.E. is supported partly by the London Centre for Terauniverse Studies (LCTS), using funding from the European Research Council via the Advanced Investigator Grant 267352. The work of S. H. was supported in part by CI-CYT (grant FPA 2010-22163-C02-01) and by the Spanish MICINN's Consolider-Ingenio 2010 Program under grant MultiDark CSD2009-00064. The work of K.A.O. was supported in part by DOE grant DE-FG02-94ER-40823 at the University of Minnesota. K.A.O. also thanks SLAC (supported by the DOE under contract number DE-AC02-76SF00515) and the Stanford Institute for Theoretical Physics for their hospitality and support. M.J.D. thanks CERN for hospitality during the completion of this work. NR 102 TC 56 Z9 56 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD AUG PY 2011 VL 71 IS 8 AR 1722 DI 10.1140/epjc/s10052-011-1722-2 PG 22 WC Physics, Particles & Fields SC Physics GA 814SF UT WOS:000294476700020 ER PT J AU Sanchez-Lavega, A Orton, GS Hueso, R Perez-Hoyos, S Fletcher, LN Garcia-Melendo, E Gomez-Forrellad, JM de Pater, I Wong, M Hammel, HB Yanamandra-Fisher, P Simon-Miller, A Barrado-Izagirre, N Marchis, F Mousis, O Ortiz, JL Garcia-Rojas, J Cecconi, M Clarke, JT Noll, K Pedraz, S Wesley, A Kalas, P McConnell, N Golisch, W Griep, D Sears, P Volquardsen, E Reddy, V Shara, M Binzel, R Grundy, W Emery, J Rivkin, A Thomas, C Trilling, D Bjorkman, K Burgasser, AJ Campins, H Sato, TM Kasaba, Y Ziffer, J Mirzoyan, R Fitzgerald, M Bouy, H AF Sanchez-Lavega, A. Orton, G. S. Hueso, R. Perez-Hoyos, S. Fletcher, L. N. Garcia-Melendo, E. Gomez-Forrellad, J. M. de Pater, I. Wong, M. Hammel, H. B. Yanamandra-Fisher, P. Simon-Miller, A. Barrado-Izagirre, N. Marchis, F. Mousis, O. Ortiz, J. L. Garcia-Rojas, J. Cecconi, M. Clarke, J. T. Noll, K. Pedraz, S. Wesley, A. Kalas, P. McConnell, N. Golisch, W. Griep, D. Sears, P. Volquardsen, E. Reddy, V. Shara, M. Binzel, R. Grundy, W. Emery, J. Rivkin, A. Thomas, C. Trilling, D. Bjorkman, K. Burgasser, A. J. Campins, H. Sato, T. M. Kasaba, Y. Ziffer, J. Mirzoyan, R. Fitzgerald, M. Bouy, H. CA International Outer Planet Watch T TI Long-term evolution of the aerosol debris cloud produced by the 2009 impact on Jupiter SO ICARUS LA English DT Article DE Atmospheres, Dynamics; Jupiter, Atmosphere; Impact processes ID COMET SHOEMAKER-LEVY-9; HST IMAGES; FEATURES; MODEL; JET; SIMULATIONS; DISTURBANCE; ULTRAVIOLET; TRANSPORT; MOTIONS AB We present a study of the long-term evolution of the cloud of aerosols produced in the atmosphere of Jupiter by the impact of an object on 19 July 2009 (Sanchez-Lavega, A. et al. [2010]. Astrophys. J. 715, L155-L159). The work is based on images obtained during 5 months from the impact to 31 December 2009 taken in visible continuum wavelengths and from 20 July 2009 to 28 May 2010 taken in near-infrared deep hydrogen-methane absorption bands at 2.1-2.3 pm. The impact cloud expanded zonally from similar to 5000 km (July 19) to 225,000 km (29 October, about 180 degrees in longitude), remaining meridionally localized within a latitude band from 53.5 degrees S to 61.5 degrees S planetographic latitude. During the first two months after its formation the site showed heterogeneous structure with 500-1000 km sized embedded spots. Later the reflectivity of the debris field became more homogeneous due to clump mergers. The cloud was mainly dispersed in longitude by the dominant zonal winds and their meridional shear, during the initial stages, localized motions may have been induced by thermal perturbation caused by the impact's energy deposition. The tracking of individual spots within the impact cloud shows that the westward jet at 56.5 degrees S latitude increases its eastward velocity with altitude above the tropopause by 5-10 m s(-1). The corresponding vertical wind shear is low, about 1 m s(-1) per scale height in agreement with previous thermal wind estimations. We found evidence for discrete localized meridional motions with speeds of 1-2 ms(-1). Two numerical models are used to simulate the observed cloud dispersion. One is a pure advection of the aerosols by the winds and their shears. The other uses the EPIC code, a nonlinear calculation of the evolution of the potential vorticity field generated by a heat pulse that simulates the impact. Both models reproduce the observed global structure of the cloud and the dominant zonal dispersion of the aerosols, but not the details of the cloud morphology. The reflectivity of the impact cloud decreased exponentially with a characteristic timescale of 15 days; we can explain this behavior with a radiative transfer model of the cloud optical depth coupled to an advection model of the cloud dispersion by the wind shears. The expected sedimentation time in the stratosphere (altitude levels 5-100 mbar) for the small aerosol particles forming the cloud is 45-200 days, thus aerosols were removed vertically over the long term following their zonal dispersion. No evidence of the cloud was detected 10 months after the impact. (C) 2011 Elsevier Inc. All rights reserved. C1 [Sanchez-Lavega, A.; Hueso, R.; Perez-Hoyos, S.] Univ Basque Country, Dept Fis Aplicada 1, ETS Ingn, Bilbao 48013, Spain. [Orton, G. S.; Yanamandra-Fisher, P.] CALTECH, Jet Prop Lab, MS 169237, Pasadena, CA 91109 USA. [Fletcher, L. N.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Garcia-Melendo, E.; Gomez-Forrellad, J. M.] Fundacio Privada Observ Esteve Duran, Seva 08553, Spain. [de Pater, I.; Wong, M.; Marchis, F.; Kalas, P.; McConnell, N.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Hammel, H. B.] Space Sci Inst, Boulder, CO 80301 USA. [Simon-Miller, A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Barrado-Izagirre, N.] Univ Basque Country, Dept Matemat Aplicada, EUITI, E-48080 Bilbao, Spain. [Marchis, F.] Carl Sagan Ctr, SETI Inst, Mountain View, CA 94043 USA. [Mousis, O.] CNRS, UMR 6213, Inst UTINAM, Observ Besancon, F-25010 Besancon, France. [Ortiz, J. L.] CSIC, Inst Astrofis Andalucia, Granada, Spain. [Garcia-Rojas, J.] Inst Astrofis Canarias, San Cristobal la Laguna, Tenerife, Spain. [Garcia-Rojas, J.] Univ La Laguna, Dept Astrofis, E-38205 Tenerife, Spain. [Cecconi, M.] Fdn Galileo Galilei, INAF, San Antonio De Brena Baj 738712, La Palma, Spain. [Clarke, J. T.] Boston Univ, Ctr Space Phys, Boston, MA 02215 USA. [Noll, K.] Space Sci Inst, Ridgefield, CT 06877 USA. [Pedraz, S.] Calar Alto Ohs Centro Astron Hispano Aleman, Almeria 04004, Spain. [Wesley, A.] Acquerra Pty Ltd, Murrumbateman, NSW, Australia. [Golisch, W.; Griep, D.; Sears, P.; Volquardsen, E.] Univ Hawaii, Inst Astron, Hilo, HI 96720 USA. [Reddy, V.] Univ N Dakota, Dept Space Studies, Grand Forks, ND 58202 USA. [Shara, M.] Amer Museum Nat Hist, Dept Astrophys, New York, NY 10024 USA. [Binzel, R.] MIT, Dept Earth & Planetary Sci, MS 54410, Cambridge, MA 02139 USA. [Grundy, W.] Lowell Observ, Flagstaff, AZ 86001 USA. [Emery, J.] Univ Tennessee, Knoxville, TN 37996 USA. [Rivkin, A.] Johns Hopkins Univ, Appl Phys Lab, NP3 E169, Laurel, MD 20723 USA. [Thomas, C.; Trilling, D.] No Arizona Univ, Dept Phys & Astron, Flagstaff, AZ 86011 USA. [Bjorkman, K.] Univ Toledo, Dept Phys & Astron, MS 111, Toledo, OH 43606 USA. [Burgasser, A. J.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Campins, H.] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. [Sato, T. M.; Kasaba, Y.] Tohoku Univ, Aoba Ku, Sendai, Miyagi 9808578, Japan. [Ziffer, J.] Univ So Maine, Portland, ME 04104 USA. [Mirzoyan, R.] Glendale Community Coll, Glendale, CA 91208 USA. [Fitzgerald, M.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. [Noll, K.; Fitzgerald, M.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Fletcher, L. N.; Bouy, H.] Ctr Astrobiol INTA CSIC, Madrid 28691, Spain. RP Sanchez-Lavega, A (reprint author), Univ Basque Country, Dept Fis Aplicada 1, ETS Ingn, Alameda Urquijo S-N, Bilbao 48013, Spain. EM agustin.sanchez@ehu.es RI Rivkin, Andrew/B-7744-2016; Simon, Amy/C-8020-2012; Noll, Keith/C-8447-2012; Fletcher, Leigh/D-6093-2011; Marchis, Franck/H-3971-2012; Clarke, John/C-8644-2013; Bouy, Herve/H-2913-2012; Perez-Hoyos, Santiago/L-7543-2014; Barrado-Izagirre, Naiara/H-2807-2015; Fitzgerald, Michael/C-2642-2009; OI Rivkin, Andrew/0000-0002-9939-9976; Simon, Amy/0000-0003-4641-6186; Sanchez-Lavega, Agustin/0000-0001-7355-1522; Fletcher, Leigh/0000-0001-5834-9588; Bouy, Herve/0000-0002-7084-487X; Perez-Hoyos, Santiago/0000-0002-2587-4682; Barrado-Izagirre, Naiara/0000-0001-6319-8577; Fitzgerald, Michael/0000-0002-0176-8973; Hueso, Ricardo/0000-0003-0169-123X; Garcia-Rojas, Jorge/0000-0002-6138-1869; Thomas, Cristina/0000-0003-3091-5757 FU Spanish MICIIN [AYA2009-10701]; Grupos Gobierno Vasco [IT-464-07]; National Aeronautics and Space Administration; University of Oxford; NASA through Space Telescope Science Institute [GO/DD-12003, GO/DD-12045, GO-11559, NAS 5-26555] FX This work was supported by the Spanish MICIIN Project AYA2009-10701 with FEDER and Grupos Gobierno Vasco IT-464-07. This research made use of the computing facilities at CESCA in Barcelona with the help of the Ministerio de Educacion y Ciencia. The research described in this paper that was performed by Orton and Yanamandra-Fisher was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. Fletcher was supported by a Glasstone Science Fellowship at the University of Oxford. A.J. Burgasser is a Hellman Fellow. We thank IRTF staff members Schelte ("Bobby") Bus and Tony Denault for their help in creating a command script (macro) that provided minimal interference with the primary programs scheduled on several nights of observation using SpeX. The 1.52 m Carlos Sanchez Telescope is operated on the island of Tenerife by the Instituto de Astrofisica de Canarias in the Spanish Observatorio del Teide. The Hubble Space Telescope data were obtained under GO/DD-12003, GO/DD-12045, and GO-11559 with support provided by NASA through a grant from the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA Contract NAS 5-26555. NR 48 TC 6 Z9 6 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 0019-1035 J9 ICARUS JI Icarus PD AUG PY 2011 VL 214 IS 2 BP 462 EP 476 DI 10.1016/j.icarus.2011.03.015 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811HM UT WOS:000294197500009 ER PT J AU Samal, SL Corbett, JD AF Samal, Saroj L. Corbett, John D. TI Relativistic Effects and Gold Site Distributions: Synthesis, Structure, and Bonding in a Polar Intermetallic Na6Cd16Au7 SO INORGANIC CHEMISTRY LA English DT Article ID HAMILTON POPULATIONS; COMPOUND; SUBSTITUTION; CHEMISTRY; NETWORKS; CLUSTERS; PHASES; SYSTEMS; METALS; SODIUM AB Na6Cd16Au7 has been synthesized via typical high-temperature reactions, and its structure refined by single crystal X-ray diffraction as cubic, Fm (3) over barm, a = 13.589(1) angstrom, Z = 4. The structure consists of Cd-8 tetrahedral star (TS) building blocks that are face capped by six shared gold (Au2) vertexes and further diagonally bridged via Au1 to generate an orthogonal, three-dimensional framework [Cd-8(Au2)(6/2)(Au1)(4/8)], an ordered ternary derivative of Mn6Th23. Linear muffin-tin-orbital (LMT0)-atomic sphere approximation (ASA) electronic structure calculations indicate that Na6Cd16Au7 is metallic and that similar to 76% of the total crystal orbital Hamilton populations (-ICOHP) originate from polar Cd-Au bonding with 18% more from fewer Cd-Cd contacts. Na6Cd16Au7 (45 valence electron count (vec)) is isotypic with the older electron-richer Mg6Cu16Si7 (56 vec) in which the atom types are switched and bonding characteristics among the network elements are altered considerably (Si for Au, Cu for Cd, Mg for Na). The earlier and more electronegative element Au now occupies the Si site, in accord with the larger relativistic bonding contributions from polar Cd-Au versus Cu-Si bonds with the neighboring Cd in the former Cu positions. Substantial electronic differences in partial densities-of-states (PDOS) and COHP data for all atoms emphasize these. Strong contributions of nearby Au 5d(10) to bonding states without altering the formal vet are the likely origin of these effects. C1 [Corbett, John D.] Iowa State Univ, Ames Lab DOE, Ames, IA 50010 USA. Iowa State Univ, Dept Chem, Ames, IA 50010 USA. RP Corbett, JD (reprint author), Iowa State Univ, Ames Lab DOE, Ames, IA 50010 USA. EM jcorbett@iastate.edu FU Office of the Basic Energy Sciences, Materials Sciences Division, U.S. Department of Energy (DOE); Iowa State University [DE-AC02-07CH11358] FX The authors are indebted to Gordon J. Miller for advice on several theoretical matters. This 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 42 TC 12 Z9 12 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD AUG 1 PY 2011 VL 50 IS 15 BP 7033 EP 7039 DI 10.1021/ic200501h PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 796FA UT WOS:000293036000026 PM 21728282 ER PT J AU Blank, MA Lee, CC Hu, YL Hodgson, KO Hedman, B Ribbe, MW AF Blank, Michael A. Lee, Chi Chung Hu, Yilin Hodgson, Keith O. Hedman, Britt Ribbe, Markus W. TI Structural Models of the [Fe4S4] Clusters of Homologous Nitrogenase Fe Proteins SO INORGANIC CHEMISTRY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; AZOTOBACTER-VINELANDII; MOFE PROTEIN; P-CLUSTER; SYNTHETIC ANALOGS; IRON PROTEINS; CUBANE-TYPE; FERREDOXIN; FEATURES; MUTANT AB The iron (Fe) proteins of molybdenum (Mo)-, vanadium (V)-, and iron (Fe)-only nitrogenases are encoded by nifH, vnfH, and anfH, respectively. While the nifH-encoded Fe protein has been extensively studied over recent years, information regarding the properties of the vnfH- and anfH-encoded Fe proteins has remained scarce. Here, we present a combined biochemical, electron paramagnetic resonance (EPR) and X-ray absorption spectroscopy (XAS) analysis of the [Fe4S4] clusters of NifH, VnfH, and AnfH of Azotobacter vinelandii. Our data show that all three Fe proteins contain [Fe4S4] clusters of very similar spectroscopic and geometric structural properties, although NifH differs more from VnfH and AnfH with regard to the electronic structure. These observations have an interesting impact on the theory of the plausible sequence of evolution of nitrogenase Fe proteins. More importantly, the results presented herein provide a platform for future investigations of the differential activities of the three Fe proteins in nitrogenase biosynthesis and catalysis. C1 [Hu, Yilin; Ribbe, Markus W.] Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. [Blank, Michael A.; Hodgson, Keith O.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Hodgson, Keith O.; Hedman, Britt] Stanford Univ, Stanford Synchrotron Radiat Lightsource, SLAC, Menlo Pk, CA 94025 USA. RP Hu, YL (reprint author), Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. EM yilinh@uci.edu; hodgson@ssrl.slac.stanford.edu; hedman@ssrl.slac.stanford.edu; mribbe@uci.edu FU Herman Frasch Foundation [617-HF07]; NIH [GM 67626, RR 001209]; DOE Office of Biological and Environmental Research; National Center for Research Resources (NCRR), a component of the National Institutes of Health (NIH) [RR 001209]; National Institutes of Health (NIH); U.S. Department of Energy, Office of Basic Energy Sciences FX This work was supported by Herman Frasch Foundation Grant 617-HF07 (M.W.R), NIH Grant GM 67626 (M.W.R), and NIH Grant RR 001209 (K.O.H.). SSRL operations are funded by the U.S. Department of Energy, Office of Basic Energy Sciences, and the SSRL Structural Molecular Biology Program by the National Institutes of Health, National Center for Research Resources' Biomedical Technology Program, and the DOE Office of Biological and Environmental Research. This publication was made possible by Grant Number RR 001209 from the National Center for Research Resources (NCRR), a component of the National Institutes of Health (NIH). NR 36 TC 8 Z9 8 U1 2 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD AUG 1 PY 2011 VL 50 IS 15 BP 7123 EP 7128 DI 10.1021/ic200636k PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 796FA UT WOS:000293036000036 PM 21718019 ER PT J AU Corona, E Reedy, ED AF Corona, Edmundo Reedy, E. David, Jr. TI Calculations of Buckle-Driven Delamination Using Cohesive Elements SO INTERNATIONAL JOURNAL OF FRACTURE LA English DT Article DE Thin films; delamination; compliant substrate; cohesive elements ID THIN-FILMS; CRACKING AB Plane strain, elastic calculations of buckle-driven thin film delamination from compliant substrates using finite element models are considered. The interfacial properties between the film and the substrate are modeled using cohesive elements with a tractionseparation law formulated in terms of a potential. The model yielded the geometry of the buckles given the properties of the film and the substrate, the interfacial toughness and the value of the compressive equi-biaxial stress. Results for the relation between the buckle width and the interfacial toughness were very close to similar results by Yu and Hutchinson (2002), thus giving confidence that the cohesive element approach presented can be used in applications where buckle-driven delamination of thin films is an issue. C1 [Corona, Edmundo; Reedy, E. David, Jr.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Corona, E (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ecorona@sandia.gov FU 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 Laboratory Directed Research & Development (LDRD) program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory operated by Sandia corporation, a wholly owned subsidiary of Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 9 TC 3 Z9 3 U1 2 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0376-9429 J9 INT J FRACTURE JI Int. J. Fract. PD AUG PY 2011 VL 170 IS 2 BP 191 EP 198 DI 10.1007/s10704-011-9609-7 PG 8 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 815PS UT WOS:000294538200011 ER PT J AU Ekoto, IW Merilo, EG Dedrick, DE Groethe, MA AF Ekoto, Isaac W. Merilo, Erik G. Dedrick, Daniel E. Groethe, Mark A. TI Performance-based testing for hydrogen leakage into passenger vehicle compartments SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Fuel cell vehicle; Vehicle crash test; Hydrogen dispersion ID SENSORS; DESIGN AB International regulatory representatives have proposed the performance-based test methodology for hydrogen fuel cell vehicle (HFCV) fuel system integrity certification in a new global technical regulation (GTR). For this test method, vehicle certification depends on system performance during barrier/rollover crash tests. The GTR proposal specifies that the test is failed if within 1 h post-crash, hydrogen leakage rates exceed 118 L/min or flammable mixtures develop within the passenger cabin or trunk. An analysis of the capabilities necessary to detect the second failure mode was performed through exploratory in-vehicle leakage tests at SRI International's Corral Hallow Experimental Site. Hydrogen concentrations were primarily derived from oxygen depletion sensor measurements, and were compared to directly measured concentrations from co-located hydrogen sensors. Close agreement between the two sensor technologies was observed. Since oxygen depletion measurements have the additional advantage that nonflammable gases can be used, helium was investigated as a surrogate due to its similar diffusion and jet spreading characteristics. The good agreement in overall dispersion trends for both gases highlights the flexibility of the indirect sensor method. While hydrogen mixture fractions strongly depended on release characteristics (e.g., rate, location, type), the results of an analytic examination indicated that pinhole leaks from moderate source pressures likely would produce unacceptably high in-vehicle hydrogen concentrations. The optimum sensor location for leak detection was determined to be high above the release point. Accordingly, sensor placement for crash tests involving vehicle rollovers must account for the final vehicle orientation. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Ekoto, Isaac W.; Dedrick, Daniel E.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Merilo, Erik G.; Groethe, Mark A.] SRI Int, Menlo Pk, CA 94025 USA. RP Ekoto, IW (reprint author), Sandia Natl Labs, Combust Res Facil, 7011 East Ave,MS 9052, Livermore, CA 94551 USA. EM iekoto@sandia.gov FU United States Department of Energy; Office of Energy Efficiency and Renewable Energy; Antonio Ruiz; United States Department of Transportation; National Highway Traffic Safety Administration; Sandia Corporation, a Lockheed Martin Company, for the U.S. DOE [DE-AC04-94-AL8500] FX This research was jointly supported by the United States Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Program, under the Safety, Codes, and Standards subprogram element managed by Antonio Ruiz and by the United States Department of Transportation, National Highway Traffic Safety Administration, Office of International Policy & Harmonization under the guidance of Nha Nguyen. Sandia is operated by the Sandia Corporation, a Lockheed Martin Company, for the U.S. DOE under contract No. DE-AC04-94-AL8500. NR 18 TC 7 Z9 7 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD AUG PY 2011 VL 36 IS 16 BP 10169 EP 10178 DI 10.1016/j.ijhydene.2011.05.007 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 813NS UT WOS:000294374800084 ER PT J AU Tanaka, T Yu, KM Levander, AX Dubon, OD Reichertz, LA Lopez, N Nishio, M Walukiewicz, W AF Tanaka, Tooru Yu, Kin M. Levander, Alejandro X. Dubon, Oscar D. Reichertz, Lothar A. Lopez, Nair Nishio, Mitsuhiro Walukiewicz, Wladek TI Demonstration of ZnTe1-xOx Intermediate Band Solar Cell SO JAPANESE JOURNAL OF APPLIED PHYSICS LA English DT Article ID EFFICIENCY AB We report the optical properties of ZnTe1-xOx (ZnTeO) and evidence for the photovoltaic (PV) activity of a ZnTeO intermediate band solar cell (IBSC). By photomodulated reflectance measurements, electron transitions from the intermediate band to the conduction band were demonstrated. The optical absorption coefficients for the electron transition from the valence band to the intermediate band exceeds 2 x 10(4) cm(-1), suitable for thin-film PV device applications. The ZnTeO IBSC exhibits an enhanced spectral response below the band edge of ZnTe, and all results are consistent with the proposed conversion mechanism of IBSC. (C) 2011 The Japan Society of Applied Physics C1 [Tanaka, Tooru; Nishio, Mitsuhiro] Saga Univ, Dept Elect & Elect Engn, Saga 8408502, Japan. [Tanaka, Tooru] Japan Sci & Technol Agcy JST, PRESTO, Kawaguchi, Saitama 3320012, Japan. [Yu, Kin M.; Levander, Alejandro X.; Dubon, Oscar D.; Reichertz, Lothar A.; Lopez, Nair; Walukiewicz, Wladek] Univ Calif Berkeley, Lawrence Berkeley Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Levander, Alejandro X.; Dubon, Oscar D.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Reichertz, Lothar A.] RoseSt Labs Energy, Phoenix, AZ 85034 USA. RP Tanaka, T (reprint author), Saga Univ, Dept Elect & Elect Engn, Saga 8408502, Japan. RI Tanaka, Tooru/A-7294-2010; Yu, Kin Man/J-1399-2012; Lopez Martinez, Nair/M-2933-2014; OI Yu, Kin Man/0000-0003-1350-9642; Lopez Martinez, Nair/0000-0001-6510-1329; Tanaka, Tooru/0000-0001-5747-1717 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Kyushu Industrial Technology Center; Japan Society for the Promotion of Science; JST PRESTO FX The work performed at LBNL 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. This work is partially supported by a grant-in-aid from Kyushu Industrial Technology Center, Japan Society for the Promotion of Science for financial support under Excellent Young Researchers Overseas Visit Program, and the JST PRESTO program. NR 15 TC 36 Z9 36 U1 1 U2 45 PU JAPAN SOC APPLIED PHYSICS PI TOKYO PA KUDAN-KITA BUILDING 5TH FLOOR, 1-12-3 KUDAN-KITA, CHIYODA-KU, TOKYO, 102-0073, JAPAN SN 0021-4922 J9 JPN J APPL PHYS JI Jpn. J. Appl. Phys. PD AUG PY 2011 VL 50 IS 8 AR 082304 DI 10.1143/JJAP.50.082304 PN 1 PG 3 WC Physics, Applied SC Physics GA 813AB UT WOS:000294336600041 ER PT J AU Perez, A von Lilienfeld, OA AF Perez, Alejandro von Lilienfeld, O. Anatole TI Path Integral Computation of Quantum Free Energy Differences Due to Alchemical Transformations Involving Mass and Potential SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; LONG-RANGE INTERACTIONS; MOLECULAR-DYNAMICS; AB-INITIO; STATISTICAL-MECHANICS; CANONICAL ENSEMBLE; LAMBDA-DYNAMICS; HYDROGEN-BONDS; EFFICIENT; PROTON AB Thermodynamic integration, perturbation theory, and lambda-dynamics methods were applied to path integral molecular dynamics calculations to investigate free energy differences due to "alchemical" transformations. Several estimators were formulated to compute free energy differences in solvable model systems undergoing changes in mass and/or potential. Linear and nonlinear alchemical interpolations were used for the thermodynamic integration. We find improved convergence for the virial estimators, as well as for the thermodynamic integration over nonlinear interpolation paths. Numerical results for the perturbative treatment of changes in mass and electric field strength in model systems are presented. We used thermodynamic integration in ab initio path integral molecular dynamics to compute the quantum free energy difference of the isotope transformation in the Zundel cation. The performance of different free energy methods is discussed. C1 [Perez, Alejandro] NYU, Dept Chem, New York, NY 10003 USA. [Perez, Alejandro] Ctr Joxe Mari Korta, Nanobio Spect Grp, E-20018 Donostia San Sebastian, Spain. [Perez, Alejandro; von Lilienfeld, O. Anatole] Univ Calif Los Angeles, Inst Pure & Appl Math, Los Angeles, CA 90095 USA. [von Lilienfeld, O. Anatole] Sandia Natl Labs, Surface & Interface Sci Dept, Albuquerque, NM 87185 USA. [von Lilienfeld, O. Anatole] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. RP Perez, A (reprint author), NYU, Dept Chem, New York, NY 10003 USA. EM ap1484@nyu.edu; anatole@alcf.anl.gov RI von Lilienfeld, O. Anatole/D-8529-2011 FU New York University; SNL's LDRD [117866]; Computer Science Research Institute; SNL's LDRD Truman [120209]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy [DE-AC02-06CH11357] FX We gratefully acknowledge stimulating discussions with Mark E. Tuckerman. We thank the hospitality of UCLA/IPAM where this work was completed and the City University of New York (CUNY) High Performance Computing Center (HPCC) at College of Staten Island for computational resources. A.P. is grateful for support from the Horizon fellowship at New York University, the, SNL's LDRD project No. 117866, and the SNL's summer student internship program at the Computer Science Research Institute. O.A.v.L. acknowledges SNL's LDRD Truman project No. 120209. SNL 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. This research also used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. NR 66 TC 19 Z9 19 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD AUG PY 2011 VL 7 IS 8 BP 2358 EP 2369 DI 10.1021/ct2000556 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 804OF UT WOS:000293662500005 PM 26606611 ER PT J AU Srinivas, G Cheng, XL Smith, JC AF Srinivas, Goundla Cheng, Xiaolin Smith, Jeremy C. TI A Solvent-Free Coarse Grain Model for Crystalline and Amorphous Cellulose Fibrils SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; MOLECULAR-DYNAMICS; FORCE-FIELD; I-BETA; BIOMOLECULAR SIMULATION; MULTISCALE SIMULATION; CELLOBIOHYDROLASE-I; DIBLOCK COPOLYMERS AB Understanding biomass structure and dynamics on a range of time and length scales is important for the development of cellulosic biofuels. Here, to enable length and time scale extension, we develop a coarse grain (CG) model for molecular dynamics (MD) simulations of cellulose. For this purpose, we use distribution functions from fully atomistic MD simulations as target observables. A single bead per monomer level coarse graining is found to be sufficient to successfully reproduce structural features of crystalline cellulose. Without the use of constraints the CG crystalline fibril is found to remain stable over the maximum simulation length explored in this study (>1 mu s). We also extend the CG representation to model fully amorphous cellulose fibrils. This is done by using an atomistic MD simulation of fully solvated individual cellulose chains as a target for developing the corresponding fully amorphous CG force field. Fibril structures with different degrees of crystallinity are obtained using force fields derived using a parameter coupling the crystalline and amorphous potentials. The method provides an accurate and constraint-free approach to derive CG models for cellulose with a wide range of crystallinity, suitable for incorporation into large-scale models of lignocellulosic biomass. C1 [Srinivas, Goundla; Cheng, Xiaolin; Smith, Jeremy C.] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. RP Smith, JC (reprint author), Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM smithjc@ornl.gov RI smith, jeremy/B-7287-2012 OI smith, jeremy/0000-0002-2978-3227 FU DOE's Office of Advanced Scientific Computing Research (ASCR); Biological and Environmental Research (BER) [FWP ERKJE84]; U.S. Department of Energy [DE-AC05-00OR22725] FX The authors would like to thank L. Petridis for help and valuable scientific discussions. G.S. thanks R. Schulz for the help with GROMACS software and B. Lindner for helping with structural characterizations and for providing the trajectories of the atomistic crystalline cellulose fibril. This research is sponsored by DOE's Scientific Discovery through Advanced Computing (SciDAC) program through DOE's Office of Advanced Scientific Computing Research (ASCR) and Biological and Environmental Research (BER) under FWP ERKJE84 and performed at Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. NR 39 TC 24 Z9 24 U1 2 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD AUG PY 2011 VL 7 IS 8 BP 2539 EP 2548 DI 10.1021/ct200181t PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 804OF UT WOS:000293662500023 PM 26606627 ER PT J AU Misra, M Andrienko, D Baumeier, B Faulon, JL von Lilienfeld, OA AF Misra, Milind Andrienko, Denis Baumeier, Bjoern Faulon, Jean-Loup von Lilienfeld, O. Anatole TI Toward Quantitative Structure-Property Relationships for Charge Transfer Rates of Polycyclic Aromatic Hydrocarbons SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ORGANIC SEMICONDUCTORS; ALKYL SUBSTITUENTS; TRANSPORT; PHOTOVOLTAICS; ORGANIZATION; MOBILITIES; PARAMETERS; DISCOTICS; OLIGOMERS AB Quantitative structure-property relationships (QSPRs) have been developed and assessed for predicting the reorganization energy of polycyclic aromatic hydrocarbons (PAHs). Preliminary QSPR models, based on a combination of molecular signature and electronic eigenvalue difference descriptors, have been trained using more than 200 PAHs. Monte Carlo cross-validation systematically improves the performance of the models through progressive reduction of the training set and selection of best performing training subsets. The final biased COR model yields correlation coefficients q(2) and r(2) of 0.7 and 0.8, respectively, and an estimated error in predicting reorganization energy of +/- 0.014 eV. C1 [Misra, Milind; von Lilienfeld, O. Anatole] Sandia Natl Labs, Adv Device Technol Dept, Albuquerque, NM 87185 USA. [Andrienko, Denis; Baumeier, Bjoern; von Lilienfeld, O. Anatole] Univ Calif Los Angeles, Inst Pure & Appl Math, Los Angeles, CA 90095 USA. [Andrienko, Denis; Baumeier, Bjoern] Max Planck Inst Polymer Res, D-55128 Mainz, Germany. [Faulon, Jean-Loup] Univ Evry, Inst Syst & Synthet Biol, F-91030 Evry, France. RP Andrienko, D (reprint author), Univ Calif Los Angeles, Inst Pure & Appl Math, Los Angeles, CA 90095 USA. EM denis.andrienko@mpip-mainz.mpg.de; anatole@alcf.anl.gov RI Andrienko, Denis/B-7721-2008; Baumeier, Bjorn/B-7951-2008; von Lilienfeld, O. Anatole/D-8529-2011; MPIP, Theory/I-9884-2014 OI Andrienko, Denis/0000-0002-1541-1377; Baumeier, Bjorn/0000-0002-6077-0467; FU SNL [120209]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DFG [IRTG 1328, SPP 1355]; BMBF FX M.M. and O.A.v.L. acknowledge support from SNL Truman Program LDRD project No. 120209. 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. This work was partially supported by the DFG program IRTG 1328, DFG grant SPP 1355, and BMBF grant MESOMERIE. NR 46 TC 12 Z9 12 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD AUG PY 2011 VL 7 IS 8 BP 2549 EP 2555 DI 10.1021/ct200231z PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 804OF UT WOS:000293662500024 PM 26606628 ER PT J AU Holmes, S Moore, RS Shiltsev, V AF Holmes, Stephen Moore, Ronald S. Shiltsev, Vladimir TI Overview of the Tevatron collider complex: goals, operations and performance SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Accelerator Subsystems and Technologies; Beam Optics ID FERMILAB; DESIGN AB For more than two decades the Tevatron proton-antiproton collider was the center-piece of the world's high energy physics program. The collider was arguably one of the most complex research instruments ever to reach the operation stage and is widely recognized for numerous physics discoveries and for many technological breakthroughs. In this article we outline the historical background that led to the construction of the Tevatron Collider, the strategy applied to evolution of performance goals over the Tevatron's operational history, and briefly describe operations of each accelerator in the chain and achieved performance. C1 [Holmes, Stephen; Moore, Ronald S.; Shiltsev, Vladimir] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Moore, RS (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM ronmoore@fnal.gov FU Fermi Research Alliance, LLC [De-AC02-07CH11359]; United States Department of Energy FX Work supported by Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359 with the United States Department of Energy. NR 13 TC 9 Z9 9 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2011 VL 6 AR T08001 DI 10.1088/1748-0221/6/08/T08001 PG 16 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 814YR UT WOS:000294493700016 ER PT J AU Mokhov, N Annala, J Carrigan, R Church, M Drozhdin, A Johnson, T Reilly, R Shiltsev, V Stancari, G Still, D Valishev, A Zhang, XL Zvoda, V AF Mokhov, N. Annala, J. Carrigan, R. Church, M. Drozhdin, A. Johnson, T. Reilly, R. Shiltsev, V. Stancari, G. Still, D. Valishev, A. Zhang, X-L Zvoda, V. TI Tevatron beam halo collimation system: design, operational experience and new methods SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for particle accelerators and storage rings - high energy (linear accelerators, synchrotrons); Accelerator Subsystems and Technologies AB Collimation of proton and antiproton beams in the Tevatron collider is required to protect CDF and D0 detectors and minimize their background rates, to keep irradiation of superconducting magnets under control, to maintain long-term operational reliability, and to reduce the impact of beam-induced radiation on the environment. In this article we briefly describe the design, practical implementation and performance of the collider collimation system, methods to control transverse and longitudinal beam halo and two novel collimation techniques tested in the Tevatron. C1 [Mokhov, N.; Annala, J.; Carrigan, R.; Church, M.; Drozhdin, A.; Johnson, T.; Reilly, R.; Shiltsev, V.; Stancari, G.; Still, D.; Valishev, A.; Zhang, X-L; Zvoda, V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Mokhov, N (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mokhov@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; US Department of Energy FX Work supported by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the US Department of Energy. NR 39 TC 14 Z9 14 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2011 VL 6 AR T08005 DI 10.1088/1748-0221/6/08/T08005 PG 21 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 814YR UT WOS:000294493700020 ER PT J AU Pasquinelli, RJ AF Pasquinelli, Ralph J. TI Implementation of stochastic cooling hardware at Fermilab's Tevatron collider SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for particle accelerators and storage rings - high energy (linear accelerators, synchrotrons); Hardware and accelerator control systems ID ELECTRODES; ARRAY AB The invention of Stochastic cooling by Simon van der Meer [1] made possible the increase in phase space density of charged particle beams. In particular, this feedback technique allowed the development of proton antiproton colliders at both CERN and Fermilab. This paper describes the development of hardware systems necessary to cool antiprotons at the Fermilab Tevatron Collider complex. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Pasquinelli, RJ (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM pasquin@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy FX Operated by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. NR 27 TC 3 Z9 3 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2011 VL 6 AR T08002 DI 10.1088/1748-0221/6/08/T08002 PG 24 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 814YR UT WOS:000294493700017 ER PT J AU Ross, JS Divol, L Sorce, C Froula, DH Glenzer, SH AF Ross, J. S. Divol, L. Sorce, C. Froula, D. H. Glenzer, S. H. TI Ultraviolet Thomson scattering measurements of the electron and ion features with an energetic 263 nm probe SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Plasma diagnostics - probes; Photon detectors for UV, visible and IR photons (solid-state) (PIN diodes, APDs, Si-PMTs, G-APDs, CCDs, EBCCDs, EMCCDs etc) ID LASER-PRODUCED PLASMAS AB A new Thomson scattering diagnostic has been implemented on the Omega Laser facility at the Laboratory for Laser Energetics, University of Rochester [J.M. Soures, et al., Laser and Particle Beams 11, 317 (1993)] to measure the electron feature in the ultraviolet wavelength range 200 nm - 263 nm. A pair of imaging spectrometers and streak cameras collect light scattered from electron plasma fluctuations and ion-acoustic fluctuations simultaneously. These spectra allow an accurate measure of the electron temperature, density, average charge state and plasma flow velocity in a high-density laser plasma regime perviously inaccessible. C1 [Ross, J. S.; Divol, L.; Sorce, C.; Glenzer, S. H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Froula, D. H.] Univ Rochester, Lab Laser Energet, Rochester, NY 14623 USA. RP Ross, JS (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM ross36@llnl.gov NR 13 TC 4 Z9 4 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2011 VL 6 AR P08004 DI 10.1088/1748-0221/6/08/P08004 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 814YR UT WOS:000294493700004 ER PT J AU Shiltsev, V Stancari, G Valishev, A AF Shiltsev, Vladimir Stancari, Giulio Valishev, Alexander TI Ambient betatron motion and its excitation by "ghost lines" in Tevatron SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for particle accelerators and storage rings - high energy (linear accelerators, synchrotrons); Accelerator modelling and simulations (multi-particle dynamics; single-particle dynamics) ID COLLIDERS AB Transverse betatron motion of the Tevatron proton beam is measured and analysed. It is shown that the motion is coherent and excited by external sources of unknown origins. Observations of the time varying "ghost lines" in the betatron spectra are reported. C1 [Shiltsev, Vladimir; Stancari, Giulio; Valishev, Alexander] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM shiltsev@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX Work supported by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the U.S. Department of Energy. NR 12 TC 4 Z9 4 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2011 VL 6 AR P08002 DI 10.1088/1748-0221/6/08/P08002 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 814YR UT WOS:000294493700002 ER PT J AU Shiltsev, V Tollestrup, A AF Shiltsev, Vladimir Tollestrup, Alvin TI Emittance growth mechanisms in the Tevatron beams SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for particle accelerators and storage rings-high energy (linear accelerators, synchrotrons); Accelerator modelling and simulations (multi-particle dynamics; single-particle dynamics) AB In this article we present results of emittance growth measurements in the Tevatron beams. Several mechanisms leading to transverse and longitudinal diffusions are analyzed and their contributions estimated. C1 [Shiltsev, Vladimir; Tollestrup, Alvin] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM Shiltsev@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; US Department of Energy FX Work supported by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the US Department of Energy. NR 8 TC 6 Z9 6 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD AUG PY 2011 VL 6 AR P08001 DI 10.1088/1748-0221/6/08/P08001 PG 7 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 814YR UT WOS:000294493700001 ER PT J AU Volk, JT AF Volk, James T. TI Experiences with permanent magnets at the Fermilab recycler ring SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Accelerator Subsystems and Technologies; Accelerator Applications AB In order to achieve higher luminosities in Run II a separate antiproton storage ring was built in the Main Injector tunnel. To reduce both construction and operations costs permanent magnets were used. This paper discusses the design criterion and specifications, including temperature dependence, longitudinal uniformity, and adjusting of the higher harmonics of the magnets. The design tolerances for a storage ring are more stringent than for a single pass beam line. The difference between the measured and ideal central field for each magnet was held to better than 0.1%. The temperature stability for all magnets was set to better than 0.01% per degree Celsius. Higher order harmonics relative to the central field were set to less than 0.01%. This was done for all 484 permanent magnet that were built. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Volk, JT (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM volk@fnal.gov NR 9 TC 4 Z9 4 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 AUG PY 2011 VL 6 AR T08003 DI 10.1088/1748-0221/6/08/T08003 PG 7 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 814YR UT WOS:000294493700018 ER PT J AU Rapti, Z Rasmussen, KO Bishop, AR AF Rapti, Z. Rasmussen, K. O. Bishop, A. R. TI THE TRANSFER INTEGRAL OPERATOR METHOD IN THE STUDY OF DNA UNZIPPING AND BUBBLE FORMATION SO JOURNAL OF NONLINEAR MATHEMATICAL PHYSICS LA English DT Article DE DNA; Peyrard-Bishop-Dauxois model; transfer integral operator method ID PEYRARD-BISHOP MODEL; NONLINEAR MODEL; DOUBLE HELIX; DYNAMICS; DENATURATION; BREATHERS; LATTICES; SOLITONS; INSTABILITY; STABILITY AB In this work we reexamine the unzipping and bubble formation of DNA in the context of the Peyrard-Bishop-Dauxois DNA model using the transfer integral operator method. After a brief overview of the method, we use it to calculate the probabilities that consecutive base-pairs are stretched beyond a threshold amplitude. We compare the continuous Peyrard-Bishop-Dauxois model with an Ising-type model and demonstrate their similarities. For the Peyrard-Bishop-Dauxois model, we derive an expression for the force that is required to open a double-stranded sequence at one end while the other end is kept closed. In the thermodynamic limit, we use this expression to study the dependence of the unzipping force on the temperature. We also calculate the opening probabilities in the case of zero force and in the case where a force is applied in the middle of the sequence. Analytically, the case where the force is applied in the middle is similar to the case of a homogeneous DNA sequence of strong GC pairs with a defect, in the form of a weaker AT base pair, in the middle. Numerical results verify this similarity. C1 [Rapti, Z.] Univ Illinois, Dept Math, Urbana, IL 61801 USA. [Rasmussen, K. O.; Bishop, A. R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Rapti, Z (reprint author), Univ Illinois, Dept Math, 1409 W Green St, Urbana, IL 61801 USA. EM zrapti@illinois.edu; kor@lanl.gov; arb@lanl.gov RI Rasmussen, Kim/B-5464-2009 OI Rasmussen, Kim/0000-0002-4029-4723 FU NSF [DMS-0708421]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX Z. R. acknowledges support from the NSF under grant number DMS-0708421. Research is carried out at Los Alamos National Laboratory under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. NR 43 TC 0 Z9 0 U1 0 U2 4 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 1402-9251 J9 J NONLINEAR MATH PHY JI J. Nonlinear Math. Phys. PD AUG PY 2011 VL 18 SU 2 BP 381 EP 396 DI 10.1142/S1402925111001581 PG 16 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 815CC UT WOS:000294502700007 ER PT J AU Choi, D Kumta, PN AF Choi, Daiwon Kumta, Prashant N. TI Synthesis and Characterization of Nanostructured Niobium and Molybdenum Nitrides by a Two-Step Transition Metal Halide Approach SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID COMBUSTION SYNTHESIS; ELECTROCHEMICAL SYNTHESIS; REFRACTORY NITRIDES; TUNGSTEN NITRIDES; CERAMIC MATERIALS; AMMONOLYSIS; CARBIDES; NBN; CHLORIDE; POWDERS AB Nanosized NbNx (1.64 > x > 1.33) and MoNx (1.32 > x > 0.77) crystallites were synthesized at a relatively low temperature (>= 600 degrees C) through ammonolysis and nitridation of the corresponding metal chlorides. The ammonolysis reaction in anhydrous chloroform at room temperature and the nitridation mechanism during subsequent heat treatment was investigated using Fourier transform infrared spectroscopy, X-ray diffraction (XRD), thermogravimetric (TG), and mass spectroscopy analysis. The effects of the synthesis parameters on the stoichiometry, structure, specific surface area, density, and electronic conductivity of the final nitrides were studied using TGA, XRD, N-2 adsorption, high-resolution transmission microscopy, helium pycnometry, and four-point probe technique. Preliminary electrochemical responses of the obtained nitrides were studied using cyclic voltammetry to explore their possible use as electrochemical capacitors. C1 [Kumta, Prashant N.] Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Dept Mech Engn, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Dept Mat Sci, Pittsburgh, PA 15261 USA. [Choi, Daiwon] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kumta, PN (reprint author), Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA 15261 USA. EM pkumta@pitt.edu RI Choi, Daiwon/B-6593-2008 FU National Science Foundation [CTS-0000563, DMR-0073586, CBET-0933141]; Ford Foundation; University of Pittsburgh FX This work was supported by the National Science Foundation (Grants CTS-0000563, DMR-0073586, and CBET-0933141) and partially supported by the Ford Foundation, and the Edward R. Weidlein Chair funds of the University of Pittsburgh. NR 50 TC 25 Z9 25 U1 8 U2 86 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 AUG PY 2011 VL 94 IS 8 BP 2371 EP 2378 DI 10.1111/j.1551-2916.2011.04412.x PG 8 WC Materials Science, Ceramics SC Materials Science GA 805AP UT WOS:000293698700025 ER PT J AU Garino, TJ Nenoff, TM Krumhansl, JL Rademacher, DX AF Garino, Terry J. Nenoff, Tina M. Krumhansl, James L. Rademacher, David X. TI Low-Temperature Sintering Bi-Si-Zn-Oxide Glasses for Use in Either Glass Composite Materials or Core/Shell I-129 Waste Forms SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID IODINE; VITRIFICATION AB Spent nuclear fuel contains I-129, which is of particular concern due to its very long half-life, its potential mobility in the environment, and its deleterious effect on human health. In spent fuel reprocessing schemes under consideration, a gas stream containing I-129(2) would be passed through a bed of Ag-loaded zeolites such as Ag-mordenite (Ag-MOR). We have investigated the use of a low-temperature sintering bismuth-silicon-zinc-oxide glass powder mixed with either AgI or AgI-MOR to produce dense glass composite material waste forms that can be processed at 550 degrees C, where AgI volatility is low. We have demonstrated that when fine silver flake is added to the mixture, any adsorbed I-2 released during heating of AgI-MOR reacts with the silver to form AgI in situ. Furthermore, we have shown that mixtures of the glass with the AgI-MOR or AgI are durable in aqueous environments. Finally, we have developed a process to fabricate core/shell waste forms where the core of AgI-MOR or AgI and glass is encased in a shell of glass that protects the core from contact with the environment. To prevent cracking of the shell due to thermal expansion mismatch between the core and shell, amorphous silica was added to the shell to form a composite with a lower coefficient of thermal expansion. C1 [Garino, Terry J.; Nenoff, Tina M.; Krumhansl, James L.; Rademacher, David X.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Nenoff, TM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tmnenof@sandia.gov FU DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank the US DOE, Office of Nuclear Energy, Fuel Cycle R&D-Separations and Waste Forms for continued support and Rajan Tandon for the optical images. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 22 TC 27 Z9 27 U1 1 U2 22 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD AUG PY 2011 VL 94 IS 8 BP 2412 EP 2419 DI 10.1111/j.1551-2916.2011.04542.x PG 8 WC Materials Science, Ceramics SC Materials Science GA 805AP UT WOS:000293698700031 ER PT J AU Sun, CN Gupta, MC Porter, WD AF Sun, Chen-Nan Gupta, Mool C. Porter, Wallace D. TI Thermophysical Properties of Laser-Sintered Zr-ZrB2 Cermets SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID HEAT-CAPACITY MEASUREMENT; THERMAL-CONDUCTIVITY; ZIRCONIUM DIBORIDE; MECHANICAL-PROPERTIES; FREEFORM FABRICATION; ELASTIC PROPERTIES; DEGREES K; CERAMICS; TEMPERATURE; ZRB2 AB Thermophysical properties between 293 and 1863 K were investigated for laser-sintered Zr-ZrB2 cermets containing 30, 50, and 70 wt% Zr. The measured values of coefficient of thermal expansion of Zr-ZrB2 cermets were larger than the predicted values due to the effect of Zr-O solid solution, which was formed during laser sintering. The order-disorder phase transition of Zr-O solid solution resulted in the sharp increase in heat capacity between 625 and 675 K. Thermal conductivities were calculated from measured densities, heat capacities, and thermal diffusivities. Thermal diffusivities at 473 K were 14.0, 12.2, and 8.0 mm(2)/s for 30Zr-ZrB2, 50Zr-ZrB2, and 70Zr-ZrB2, respectively. Thermal conductivities at 473 K were 38, 31, and 20 W. (m. K)(-1) for 30Zr-ZrB2, 50Zr-ZrB2, and 70Zr-ZrB2, respectively. Electron contribution to thermal conductivity of the 70Zr-ZrB2 cermet was determined using electrical resistivity measurements, which shows that total thermal conductivity mostly came from the electron contribution at high temperatures (1073-1473 K) while the phonon contribution was very small. C1 [Sun, Chen-Nan; Gupta, Mool C.] Univ Virginia, Dept Elect & Comp Engn, Charlottesville, VA 22904 USA. [Porter, Wallace D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Gupta, MC (reprint author), Univ Virginia, Dept Elect & Comp Engn, Charlottesville, VA 22904 USA. EM mgupta@virginia.edu FU Air Force Office of Scientific Research [FA9550-06-1-0163]; NASA; NSF I/UCRC center; Division of Scientific User Facilities, U. S. Department of Energy; U. S. Department of Energy, Office of Energy FX This work was financially supported by the Ceramics and Nonmetallic Materials Program, Air Force Office of Scientific Research, under Grant No. FA9550-06-1-0163, NASA Langley Professor Program and NSF I/UCRC center grant. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which was sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U. S. Department of Energy. Research (thermal expansion, heat capacity, and thermal diffusivity measurements) conducted through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program was sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. NR 56 TC 2 Z9 2 U1 1 U2 6 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD AUG PY 2011 VL 94 IS 8 BP 2592 EP 2599 DI 10.1111/j.1551-2916.2011.04457.x PG 8 WC Materials Science, Ceramics SC Materials Science GA 805AP UT WOS:000293698700058 ER PT J AU Peroz, C Dhuey, S Goltsov, A Volger, M Harteneck, B Ivonin, I Bugrov, A Cabrini, S Babin, S Yankov, V AF Peroz, C. Dhuey, S. Goltsov, A. Volger, M. Harteneck, B. Ivonin, I. Bugrov, A. Cabrini, S. Babin, S. Yankov, V. TI Digital spectrometer-on-chip fabricated by step and repeat nanoimprint lithography on pre-spin coated films SO MICROELECTRONIC ENGINEERING LA English DT Article DE Nanoimprint lithography; Digital planar holography; Spectrometer; Nanophotonics ID FLASH IMPRINT LITHOGRAPHY; HYDROGEN SILSESQUIOXANE AB Digital planar holograms (DPH) are successfully fabricated for the first time by nanoimprint lithography (NIL). A state-of-the-art UV-NIL process is developed by combining both advantages of step and repeat technology at low pressure for high-throughput and imprinting of spin-coated resist films for easy pattern transfer. The nanofabrication process is used in order to replicate DPH structures, composed of multi-million lines grating, into silicon dioxide waveguide core. Optical performances of nanospectrometers chips are in agreement with simulations. (C) 2010 Elsevier B.V. All rights reserved. C1 [Peroz, C.; Babin, S.] aBeam Technol, Castro Valley, CA 94546 USA. [Dhuey, S.; Harteneck, B.; Cabrini, S.] LBNL, Mol Foundry, Berkeley, CA 94702 USA. [Goltsov, A.; Ivonin, I.; Bugrov, A.; Yankov, V.] Nanoopt Devices, Santa Clara, CA 95054 USA. [Volger, M.] Microresist Technol, D-12555 Berlin, Germany. RP Peroz, C (reprint author), aBeam Technol, 5286 Dunnigan Ct, Castro Valley, CA 94546 USA. EM cp@abeamtech.com FU Office of Science. Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX Work at the Molecular Foundry was supported by the Office of Science. Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 13 TC 6 Z9 6 U1 1 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD AUG PY 2011 VL 88 IS 8 BP 2092 EP 2095 DI 10.1016/j.mee.2010.12.078 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 804OO UT WOS:000293663400112 ER PT J AU Fleischer, M Weber-Bargioni, A Cabrini, S Kern, DP AF Fleischer, M. Weber-Bargioni, A. Cabrini, S. Kern, D. P. TI Fabrication of metallic nanocones by induced deposition of etch masks and ion milling SO MICROELECTRONIC ENGINEERING LA English DT Article DE Nanocone; Cone; Gold; Optical antenna; Electron beam induced deposition; Ion milling ID ENHANCEMENT AB A versatile process for the fabrication of metallic nanocones is presented that is applicable to different surface topographies. The process is based on thin-film metallization, focused electron beam induced deposition of local etch masks, and argon ion milling. Nanocones can be crafted from different metals. Examples are shown for the optimization of the process for gold nanocones of different sizes. With this process, individual cones can be positioned on both planar and non-planar surfaces. It therefore enables integration of sharp-tipped nanocones into extreme topographies. (C) 2011 Elsevier B.V. All rights reserved. C1 [Fleischer, M.; Kern, D. P.] Univ Tubingen, Inst Appl Phys, D-72076 Tubingen, Germany. [Weber-Bargioni, A.; Cabrini, S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Fleischer, M (reprint author), Univ Tubingen, Inst Appl Phys, Morgenstelle 10, D-72076 Tubingen, Germany. EM monika.fleischer@uni-tuebingen.de FU European Social Fund; Ministry Of Science, Research and the Arts Baden-Wurttemberg; Baden-Wurttemberg-Stiftung; Projektforderung fur Nachwuchswissenschaftlerlnnen from Tubingen University; Office of Science. Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This project is supported by the European Social Fund and by the Ministry Of Science, Research and the Arts Baden-Wurttemberg. M.F. gratefully acknowledges financial support by the Baden-Wurttemberg-Stiftung and by Projektforderung fur Nachwuchswissenschaftlerlnnen from Tubingen University. Work at the Molecular Foundry was performed under User Proposal # 550 and supported by the Office of Science. Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 11 TC 14 Z9 14 U1 0 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD AUG PY 2011 VL 88 IS 8 BP 2247 EP 2250 DI 10.1016/j.mee.2011.02.090 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 804OO UT WOS:000293663400149 ER PT J AU Wu, Y Olynick, DL Goodyear, A Peroz, C Dhuey, S Liang, X Cabrini, S AF Wu, Y. Olynick, D. L. Goodyear, A. Peroz, C. Dhuey, S. Liang, X. Cabrini, S. TI Cryogenic etching of nano-scale silicon trenches with resist masks SO MICROELECTRONIC ENGINEERING LA English DT Article DE Plasma etching; Nanofabrication; Nano-imprint lithography; Electron beam lithography; Nano-scale pattern transfer ID PLASMA; SF6/O-2; LAG AB Cryogenic silicon etching using SF(6)-O(2) at the sub-50 nm scale has been developed for nano-electromechanical systems (NEMS) and nano-photonics systems where high aspect ratio trenches are desired. It was found that the SF(6)-O(2) chemistry at cryogenic temperatures (-100 to -130 degrees C) provides the best combination of etch rate, selectivity, and profile control for the smallest trenches etched. The profile can be well controlled with aspect ratios on the order of 8:1 for 20 nm wide trenches. The various etch parameter trends will be discussed along with methods to achieve the optimal profiles and etch rates. (C) 2010 Elsevier B.V. All rights reserved. C1 [Wu, Y.; Olynick, D. L.; Peroz, C.; Dhuey, S.; Liang, X.; Cabrini, S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Wu, Y.; Goodyear, A.] Oxford Instruments Amer Inc, Concord, MA 01742 USA. [Peroz, C.] aBeam Technol, Castro Valley, CA 94546 USA. RP Wu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ying.wu@oxinst.com; dlolynick@lbl.gov FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank Bruce Harteneck, Erin Wood, Eric Lozano, and all members of the nanofabrication group of The Molecular Foundry as well as Craig Ward and Ian Stuart of Oxford Instruments for their help and support. This project is supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 16 TC 19 Z9 21 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD AUG PY 2011 VL 88 IS 8 BP 2785 EP 2789 DI 10.1016/j.mee.2010.11.055 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 804OO UT WOS:000293663400292 ER PT J AU Botello-Mendez, AR Cruz-Silva, E Romo-Herrera, JM Lopez-Urias, F Terrones, M Sumpter, BG Terrones, H Charlier, JC Meunier, V AF Botello-Mendez, Andres R. Cruz-Silva, Eduardo Romo-Herrera, Jose M. Lopez-Urias, Florentino Terrones, Mauricio Sumpter, Bobby G. Terrones, Humberto Charlier, Jean-Christophe Meunier, Vincent TI Quantum Transport in Graphene Nanonetworks SO NANO LETTERS LA English DT Article DE Graphene; graphene nanoribbons; quantum transport; bilayer graphene; spin transport ID CARBON NANOTUBES; NANORIBBONS; LITHOGRAPHY; CIRCUITS; EDGES AB The quantum transport properties of graphene nanoribbon networks are investigated using first-principles calculations based on density functional theory. Focusing on systems that can be experimentally realized with existing techniques, both in-plane conductance in interconnected graphene nanoribbons and tunneling conductance in out-of-plane nanoribbon intersections were studied. The characteristics of the ab initio electronic transport through in-plane nanoribbon cross-points is found to be in agreement with results obtained with semiempirical approaches. Both simulations confirm the possibility of designing graphene nanoribbon-based networks capable of guiding electrons along desired and predetermined paths. In addition, some of these intersections exhibit different transmission probability for spin up and spin down electrons, suggesting the possible applications of such networks as spin filters. Furthermore, the electron transport properties of out-of-plane nanoribbon cross-points of realistic sizes are described using a combination of first-principles and tight-binding approaches. The stacking angle between individual sheets is found to play a central role in dictating the electronic transmission probability within the networks. C1 [Botello-Mendez, Andres R.; Terrones, Humberto; Charlier, Jean-Christophe] Catholic Univ Louvain, IMCN, B-1348 Louvain, Belgium. [Cruz-Silva, Eduardo; Sumpter, Bobby G.; Terrones, Humberto] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Romo-Herrera, Jose M.] Univ Vigo, Dept Quim Fis, Vigo 36310, Spain. [Romo-Herrera, Jose M.] Univ Vigo, Unidad Asociada CSIC, Vigo 36310, Spain. [Lopez-Urias, Florentino] IPICYT, San Luis Potosi 78216, Mexico. [Terrones, Mauricio] Shinshu Univ, Res Ctr Exot Nanocarbons, Nagano 3808553, Japan. [Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Terrones, Mauricio] Penn State Univ, Dept Phys, Davey Lab 104, University Pk, PA 16802 USA. [Terrones, Mauricio] Penn State Univ, Mat Res Inst, Davey Lab 104, University Pk, PA 16802 USA. RP Botello-Mendez, AR (reprint author), Catholic Univ Louvain, IMCN, Chemin Etoiles 8,Bte L7-03-01, B-1348 Louvain, Belgium. EM andres.botello@uclouvain.be RI Cruz-Silva, Eduardo/B-7003-2009; Meunier, Vincent/F-9391-2010; Sumpter, Bobby/C-9459-2013; Terrones, Mauricio/B-3829-2014; OI Cruz-Silva, Eduardo/0000-0003-2877-1598; Meunier, Vincent/0000-0002-7013-179X; Sumpter, Bobby/0000-0001-6341-0355; Botello Mendez, Andres/0000-0002-7317-4699 FU Scientific User Facilities Division, U.S. Department of Energy; Ministerio de Ciencia e Innovacion from Spain; JST-Japan FX A.RB.M. is indebted to the M. De Merre Prize of Louvain. Parts of this work are directly connected to the F.RS.-FNRS of Belgium, the Belgian PAI6 Program on "Quantum Effects in Clusters and Nanowires", and to the ARC project on "Graphene". B.G.S. and E.C.S. were supported by the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory, sponsored by the Scientific User Facilities Division, U.S. Department of Energy. J.M.R-H. acknowledges the Juan de la Cierva fellowship from Ministerio de Ciencia e Innovacion from Spain. KT. thanks JST-Japan for funding the Research Center for Exotic NanoCarbons under the Japanese regional Innovation Strategy Program by the Excellence. H.T. acknowledges the Ecole Polytechnique of Louvain and CNMS ORNL for their support as visiting professor. NR 37 TC 27 Z9 27 U1 2 U2 47 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3058 EP 3064 DI 10.1021/nl2002268 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 804PJ UT WOS:000293665600002 PM 21696176 ER PT J AU Tselev, A Budai, JD Strelcov, E Tischler, JZ Kolmakov, A Kalinin, SV AF Tselev, Alexander Budai, John D. Strelcov, Evgheni Tischler, Jonathan Z. Kolmakov, Andrei Kalinin, Sergei V. TI Electromechanical Actuation and Current-Induced Metastable States in Suspended Single-Crystalline VO2 Nanoplatelets SO NANO LETTERS LA English DT Article DE Vanadium dioxide; metal-insulator transition; actuator; heterophase domains; Joule heating ID METAL-INSULATOR-TRANSITION; VANADIUM DIOXIDE; TEMPERATURE; NANOBEAMS; DOMAINS; ORGANIZATION; NANOWIRES; STRESS AB Current-induced electromechanical actuation enabled by the metal-insulator transition in VO2 nanoplatelets is demonstrated. The Joule heating by a sufficient current flowing through suspended nanoplatelets results in formation of heterophase domain patterns and is accompanied by nanoplatelet deformation. The actuation action can be achieved in a wide temperature range below the bulk phase transition temperature (68 degrees C). The observed current-sustained heterophase domain structures should be interpreted as distinct metastable states in free-standing and end-clamped VO2 samples. We analyze the main prerequisites for the realization of a current-controlled actuator based on the proposed concept. C1 [Tselev, Alexander; Budai, John D.; Tischler, Jonathan Z.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Strelcov, Evgheni; Kolmakov, Andrei] So Illinois Univ, Dept Phys, Carbondale, IL 62901 USA. RP Tselev, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM tseleva@ornl.gov RI Kalinin, Sergei/I-9096-2012; Strelcov, Evgheni/H-1654-2013; Tselev, Alexander/L-8579-2015; Budai, John/R-9276-2016; Kolmakov, Andrei/B-1460-2017 OI Kalinin, Sergei/0000-0001-5354-6152; Tselev, Alexander/0000-0002-0098-6696; Budai, John/0000-0002-7444-1306; Kolmakov, Andrei/0000-0001-5299-4121 FU Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. DOE; NSF [ECCS-0925837]; SISGR-DOE [ERKCM67]; Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. DOE; Scientific User Facilities Division of BES, U.S. DOE FX Authors thank Nikolay Lavrik for fruitful discussions. Research at ORNL's Center for Nanophase Materials Sciences was sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. DOE. The research at SIUC was supported through NSF ECCS-0925837 and SISGR-DOE ERKCM67. J.D.B. and J.Z.T. were supported by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. DOE. Use of the APS beamline 34-ID-E was supported by the Scientific User Facilities Division of BES, U.S. DOE. NR 34 TC 31 Z9 31 U1 5 U2 50 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3065 EP 3073 DI 10.1021/nl200493k PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 804PJ UT WOS:000293665600003 PM 21714518 ER PT J AU Wong, BM Leonard, F Li, QM Wang, GT AF Wong, Bryan M. Leonard, Francois Li, Qiming Wang, George T. TI Nanoscale Effects on Heterojunction Electron Gases in GaN/AlGaN Core/Shell Nanowires SO NANO LETTERS LA English DT Article DE Nanowires; electron gas; polarization; core-shell; heterojunction; AlGaN ID CORE-SHELL NANOWIRES; LIGHT-EMITTING-DIODES; HETEROSTRUCTURES; TRANSISTORS; SCATTERING; MOBILITY; GROWTH AB The electronic properties of heterojunction electron gases formed in GaN/AlGaN core/shell nanowires with hexagonal and triangular cross sections are studied theoretically. We show that at nanoscale dimensions, the nonpolar hexagonal system exhibits degenerate quasi-one-dimensional electron gases at the hexagon corners, which transition to a core-centered electron gas at lower doping. In contrast, polar triangular core/shell nanowires show either a nondegenerate electron gas on the polar face or a single quasi-one-dimensional electron gas at the corner opposite the polar face, depending on the termination of the polar face. More generally, our results indicate that electron gases in closed nanoscale systems are qualitatively different from their bulk counterparts. C1 [Wong, Bryan M.; Leonard, Francois] Sandia Natl Labs, Livermore, CA 94551 USA. [Li, Qiming; Wang, George T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Leonard, F (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM fleonar@sandia.gov RI Wong, Bryan/B-1663-2009; Wang, George/C-9401-2009 OI Wong, Bryan/0000-0002-3477-8043; Wang, George/0000-0001-9007-0173 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (BES); BES Division of Materials Science and Engineering; Sandia Corporation, a Lockheed Martin Company [DE-AC04-94-AL85000] FX This project was supported by the Solid-State Lighting Science Center, an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (BES), and the BES Division of Materials Science and Engineering. Additional support provided by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94-AL85000. NR 24 TC 57 Z9 57 U1 3 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3074 EP 3079 DI 10.1021/nl200981x 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 804PJ UT WOS:000293665600004 PM 21696178 ER PT J AU Jo, JY Chen, P Sichel, RJ Baek, SH Smith, RT Balke, N Kalinin, SV Holt, MV Maser, J Evans-Lutterodt, K Eom, CB Evans, PG AF Jo, Ji Young Chen, Pice Sichel, Rebecca J. Baek, Seung-Hyub Smith, Ryan T. Balke, Nina Kalinin, Sergei V. Holt, Martin V. Maser, Joerg Evans-Lutterodt, Kenneth Eom, Chang-Beom Evans, Paul G. TI Structural Consequences of Ferroelectric Nanolithography SO NANO LETTERS LA English DT Article DE Ferroelectrics; X-ray nanodiffraction; domain nanolithography; strain; coherent X-ray diffraction ID THIN-FILMS; PEROVSKITE; DEVICES AB Domains of remnant polarization can be written into ferroelectrics with nanoscale precision using scanning probe nanolithography techniques such as piezoresponse force microscopy (PFM). Understanding the structural effects accompanying this process has been challenging due to the lack of appropriate structural characterization tools. Synchrotron X-ray nanodiffraction provides images of the domain structure written by PFM into an epitaxial Pb(Zr,Ti)O(3) thin film and simultaneously reveals structural effects arising from the writing process. A coherent scattering simulation including the superposition of the beams simultaneously diffracted by multiple mosaic blocks provides an excellent fit to the observed diffraction patterns. Domains in which the polarization is reversed from the as-grown state have a strain of up to 0.1% representing the piezoelectric response to unscreened surface charges. An additional X-ray microdiffraction study of the photon-energy dependence of the difference in diffracted intensity between opposite polarization states shows that this contrast has a crystallographic origin. The sign and magnitude of the intensity contrast between domains of opposite polarization are consistent with the polarization expected from PFM images and with the writing of domains through the entire thickness of the ferroelectric layer. The strain induced by writing provides a significant additional contribution to the increased free energy of the written domain state with respect to a uniformly polarized state. C1 [Jo, Ji Young; Chen, Pice; Sichel, Rebecca J.; Baek, Seung-Hyub; Smith, Ryan T.; Eom, Chang-Beom; Evans, Paul G.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Jo, Ji Young; Chen, Pice; Sichel, Rebecca J.; Baek, Seung-Hyub; Smith, Ryan T.; Eom, Chang-Beom; Evans, Paul G.] Univ Wisconsin, Mat Sci Program, Madison, WI 53706 USA. [Balke, Nina; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Holt, Martin V.; Maser, Joerg] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Evans-Lutterodt, Kenneth] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Evans, PG (reprint author), Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA. EM evans@engr.wisc.edu RI Evans, Paul/A-9260-2009; Kalinin, Sergei/I-9096-2012; Baek, Seung-Hyub/B-9189-2013; Maser, Jorg/K-6817-2013; Eom, Chang-Beom/I-5567-2014; Chen, Pice/J-3595-2015; Balke, Nina/Q-2505-2015 OI Evans, Paul/0000-0003-0421-6792; Kalinin, Sergei/0000-0001-5354-6152; Chen, Pice/0000-0003-4401-5637; Balke, Nina/0000-0001-5865-5892 FU U.S. Department of Energy [DE-FG02-04ER46147]; U.S. National Science Foundation [DMR-0705370]; National Science Foundation [ECCS-0708759]; Army Research Office [W911NF-10-1-0362]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886, DE-AC02-06CH11357] FX P.E. acknowledges support by the U.S. Department of Energy through Contract No. DE-FG02-04ER46147 for the nanoprobe experiment and by the U.S. National Science Foundation through Grant No. DMR-0705370 for the photon-energy-dependent scattering study. C.B.E. acknowledges support by the National Science Foundation under Grant No. ECCS-0708759 and the Army Research Office under Grant No. W911NF-10-1-0362. 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 Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 27 TC 11 Z9 11 U1 2 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3080 EP 3084 DI 10.1021/nl2009873 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 804PJ UT WOS:000293665600005 PM 21728277 ER PT J AU Biener, MM Biener, J Wichmann, A Wittstock, A Baumann, TF Baumer, M Hamza, AV AF Biener, Monika M. Biener, Juergen Wichmann, Andre Wittstock, Arne Baumann, Theodore F. Baeumer, Marcus Hamza, Alex V. TI ALD Functionalized Nanoporous Gold: Thermal Stability, Mechanical Properties, and Catalytic Activity SO NANO LETTERS LA English DT Article DE Nanoporous gold; alumina; titania; atomic layer deposition; core-shell structures; nanoindentation; catalysis ID ATOMIC LAYER DEPOSITION; LOW-TEMPERATURE; METHANOL OXIDATION; SURFACE-CHEMISTRY; TITANIUM-DIOXIDE; AU; FOAMS; METALS; ALLOY; FILMS AB Nanoporous metals have many technologically promising applications, but their tendency to coarsen limits their long-term stability and excludes high temperature applications. Here, we demonstrate that atomic layer deposition (ALD) can be used to stabilize and functionalize nanoporous metals. Specifically, we studied the effect of nanometer-thick alumina and titania ALD films on thermal stability, mechanical properties, and catalytic activity of nanoporous gold (np-Au). Our results demonstrate that even only 1 nm thick oxide films can stabilize the nanoscale morphology of np-Au up to 1000 degrees C, while simultaneously making the material stronger and stiffer. The catalytic activity of np-Au can be drastically increased by TiO2 ALD coatings. Our results open the door to high-temperature sensor, actuator, and catalysis applications and functionalized electrodes for energy storage and harvesting applications. C1 [Biener, Monika M.; Biener, Juergen; Baumann, Theodore F.; Hamza, Alex V.] Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. [Wichmann, Andre; Wittstock, Arne; Baeumer, Marcus] Univ Bremen, Inst Appl & Phys Chem, Bremen, Germany. RP Biener, MM (reprint author), Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, 7000 East Ave, Livermore, CA 94550 USA. EM Biener3@llnl.gov RI Baumer, Marcus/S-5441-2016 OI Baumer, Marcus/0000-0002-8620-1764 FU U.S. DOE by LLNL [DE-AC52-07NA27344] FX Work at LLNL was performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. We gratefully acknowledge Professor Andrea Hodge, University of Southern California, who provided polished samples for mechanical testing. NR 52 TC 91 Z9 91 U1 14 U2 178 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3085 EP 3090 DI 10.1021/nl200993g 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 804PJ UT WOS:000293665600006 PM 21732623 ER PT J AU Kim, I Bender, SL Hranisavljevic, J Utschig, LM Huang, LB Wiederrecht, GP Tiede, DM AF Kim, Iltai Bender, Shana L. Hranisavljevic, Jasmina Utschig, Lisa M. Huang, Libai Wiederrecht, Gary P. Tiede, David M. TI Metal Nanoparticle Plasmon-Enhanced Light-Harvesting in a Photosystem I Thin Film SO NANO LETTERS LA English DT Article DE Photosystem I; metal nanoparticle; plasmon-enhanced; fluorescence; light-harvesting; scanning confocal microscopy ID RESONANCE ENERGY-TRANSFER; SINGLE-MOLECULE FLUORESCENCE; BACTERIAL REACTION CENTERS; DISTANCE DEPENDENCE; ELECTRON-TRANSFER; NANOSTRUCTURES; EMISSION; CELLS; NANOSPECTROSCOPY; PARTICLES AB Silver metal nanoparticle (NP) enhanced fluorescence is investigated in thin films of cyanobacterial Photosystem I trimer complexes (PSI) by correlating confocal laser scanning microscopy, dark-field imaging, and fluorescence lifetime measurements. PSI represents an interesting light-harvesting complex with a 20 nm diameter that is not uniformly contained within the surface-localized plasmon field of the NPs. With weak far-field illumination, 5- to 20-fold fluorescence enhancement is observed for PSI complexes adjacent to NPs, arising from efficient nanoparticle light collection and subsequent localized, surface plasmon excitation of PSI. Enhanced PSI fluorescence is detected most prominently near "rafts" of aggregated NPs that more completely fill the confocal field of view. These results demonstrate opportunities to probe energy transfer within photosynthetic complexes using plasmonic excitation and to design nanostructures for optimizing artificial light-harvesting systems. C1 [Bender, Shana L.; Utschig, Lisa M.; Tiede, David M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Kim, Iltai; Hranisavljevic, Jasmina; Huang, Libai; Wiederrecht, Gary P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Tiede, DM (reprint author), Argonne Natl Lab, Chem Sci & Engn Div 200, 9700 S Cass Ave, Argonne, IL 60439 USA. EM tiede@anl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract 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. The authors would like to thank Dr. David Gosztola and Dr. Alexandre Bouhelier for their advice and discussion on the optical microscopy measurements. NR 53 TC 37 Z9 37 U1 6 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3091 EP 3098 DI 10.1021/nl2010109 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 804PJ UT WOS:000293665600007 PM 21714495 ER PT J AU Perea, DE Li, N Dickerson, RM Misra, A Picraux, ST AF Perea, Daniel E. Li, Nan Dickerson, Robert M. Misra, Amit Picraux, S. T. TI Controlling Heterojunction Abruptness in VLS-Grown Semiconductor Nanowires via in situ Catalyst Alloying SO NANO LETTERS LA English DT Article DE Si and Ge nanowires; axial heterojunction; VLS growth; alloy catalyst; in situ alloying; interface abruptness ID FIELD-EFFECT TRANSISTORS; LIQUID-SOLID NANOWIRE; SILICON NANOWIRES; HETEROSTRUCTURE NANOWIRES; GERMANIUM NANOWIRES; SINGLE; TEMPERATURE; GALLIUM; GAAS AB For advanced device applications, increasing the compositional abruptness of axial heterostructured and modulation doped nanowires is critical for optimizing performance. For nanowires grown from metal catalysts, the transition region width is dictated by the solute solubility within the catalyst. For example, as a result of the relatively high solubility of Si and Ge in liquid Au for vapor-liquid-solid (VLS) grown nanowires, the transition region width between an axial Si-Ge heterojunction is typically on the order of the nanowire diameter. When the solute solubility in the catalyst is lowered, the heterojunction width can be made sharper. Here we show for the first time the systematic increase in interface sharpness between axial Ge-Si heterojunction nanowires grown by the VLS growth method using a Au-Ga alloy catalyst. Through in situ tailoring of the catalyst composition using trimethylgallium, the Ge-Si heterojunction width is systematically controlled by tuning the semiconductor solubility within a metal Au-Ga alloy catalyst. The present approach of alloying to control solute solubilities in the liquid catalyst may be extended to increasing the sharpness of axial dopant profiles, for example, in Si-Ge pn-heterojunction nanowires which is important for such applications as nanowire tunnel field effect transistors or in Si pn-junction nanowires. C1 [Perea, Daniel E.; Li, Nan; Misra, Amit; Picraux, S. T.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Perea, DE (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM d_perea@lanl.gov; picraux@lanl.gov RI Li, Nan /F-8459-2010; Perea, Daniel/A-5345-2010; Dickerson, Robert/C-9237-2013 OI Li, Nan /0000-0002-8248-9027; FU Los Alamos National Laboratory; U.S. Department of Energy, Office of Basic Energy Sciences at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This research was funded in part by the Laboratory Directed Research and Development (LDRD) Program at Los Alamos National Laboratory and performed in part at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396). acknowledges funding from a LDRD-funded Postdoctoral Director's Fellowship at Los Alamos National Laboratory (LANL). Electron microscopy and EDX analysis was carried out at the MST-6 Electron Microscope Laboratory LANL. The authors would also like to acknowledge helpful discussions with E. J. Schwalbach and P. W. Voorhees at Northwestern University and T. Lookman at LANL. NR 30 TC 57 Z9 57 U1 2 U2 80 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3117 EP 3122 DI 10.1021/nl201124y 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 804PJ UT WOS:000293665600011 PM 21696182 ER PT J AU Guo, H Chen, K Oh, Y Wang, K Dejoie, C Asif, SAS Warren, OL Shan, ZW Wu, J Minor, AM AF Guo, Hua Chen, Kai Oh, Y. Wang, Kevin Dejoie, Catherine Asif, S. A. Syed Warren, O. L. Shan, Z. W. Wu, J. Minor, A. M. TI Mechanics and Dynamics of the Strain-Induced M1-M2 Structural Phase Transition in Individual VO2 Nanowires SO NANO LETTERS LA English DT Article DE In situ; nanomechanics; VO2; nanowires; phase transition; TEM ID METAL-INSULATOR-TRANSITION; VANADIUM DIOXIDE; STRESS; NANOINDENTATION; ORGANIZATION; TEMPERATURE; NANOBEAMS; CRYSTALS; DOMAINS AB The elastic properties and structural phase transitions of individual VO2 nanowires were studied using an in situ push-to-pull microelectromechanical device to realize quantitative tensile analysis in a transmission electron microscope and a synchrotron X-ray microdiffraction beamline. A plateau was detected in the stress-strain curve, signifying superelasticity of the nanowire arising from the M1-M2 structural phase transition. The transition was induced and controlled by uniaxial tension. The transition dynamics were characterized by a one-dimensionally aligned domain structure with pinning and depinning of the domain walls along the nanowire. From the stress-strain dependence the Young's moduli of the VO2 M1 and M2 phases were estimated to be 128 +/- 10 and 156 +/- 10 GPa, respectively. Single pinning and depinning events of M1-M2 domain wall were observed in the superelastic regime, allowing for evaluation of the domain wall pinning potential energy. This study demonstrates a new way to investigate nanoscale mechanics and dynamics of structural phase transitions in general. C1 [Oh, Y.; Asif, S. A. Syed; Warren, O. L.; Shan, Z. W.] Hysitron Inc, Minneapolis, MN 55344 USA. [Guo, Hua; Chen, Kai; Wang, Kevin; Wu, J.; Minor, A. M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Guo, Hua; Chen, Kai; Minor, A. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Dejoie, Catherine] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Shan, Z. W.] Xi An Jiao Tong Univ, Ctr Adv Mat Performance Nanoscale CAMP Nano, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. RP Shan, ZW (reprint author), Hysitron Inc, 10025 Valley View Rd, Minneapolis, MN 55344 USA. EM zhiweishan@gmail.com; wuj@berkeley.edu; aminor@berkeley.edu RI Wu, Junqiao/G-7840-2011; Guo, Hua/D-5066-2013; Shan, Zhiwei/B-8799-2014; Chen, Kai/O-5662-2014; xjtu, campnano/Q-1904-2015 OI Wu, Junqiao/0000-0002-1498-0148; Chen, Kai/0000-0002-4917-4445; FU US Department of Energy [DE-FG02-07ER84813]; NSF [0416243, DMR-1055938]; Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; NSFC [50925104]; 973 program of China [2010CB631003] FX The authors acknowledge that the research was supported in part by a US Department of Energy SBIR Grant (DE-FG02-07ER84813) awarded to Hysitron, which does not constitute an endorsement by DOE of the views expressed in the article. The microdiffraction program at the ALS on BL 12.3.2 was made possible by NSF Grant No. 0416243. The in situ experiments were performed at the National Center for Electron Microscopy and the Advanced Light Source at the Lawrence Berkeley National Laboratory, which is 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. Z. W. Shan was supported by NSFC (50925104) and the 973 program of China (2010CB631003). Materials synthesis (J.W.) was supported by an NSF CAREER Award under Grant Number DMR-1055938. NR 37 TC 84 Z9 85 U1 22 U2 172 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3207 EP 3213 DI 10.1021/nl201460v 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 804PJ UT WOS:000293665600026 PM 21736336 ER PT J AU Erickson, KJ Gibb, AL Sinitskii, A Rousseas, M Alem, N Tour, JM Zettl, AK AF Erickson, Kris J. Gibb, Ashley L. Sinitskii, Alexander Rousseas, Michael Alem, Nasim Tour, James M. Zettl, Alex K. TI Longitudinal Splitting of Boron Nitride Nanotubes for the Facile Synthesis of High Quality Boron Nitride Nanoribbons SO NANO LETTERS LA English DT Article DE Boron nitride; nanomaterials; nanoribbons; splitting; nanotubes ID GRAPHENE NANORIBBONS; CARBON NANOTUBES; INTERCALATION; GRAPHITE AB Boron nitride nanoribbons (BNNRs), the boron nitride structural equivalent of graphene nanoribbons (GNRs), are predicted to possess unique electronic and magnetic properties. We report the synthesis of BNNRs through the potassium-intercalation-induced longitudinal splitting of boron nitride nanotubes (BNNTs). This facile, scalable synthesis results in narrow (down to 20 nm), few sheet (typically 2-10), high crystallinity BNNRs with very uniform widths. The BNNRs are at least 1 mu m in length with minimal defects within the ribbon plane and along the ribbon edges. C1 [Sinitskii, Alexander; Tour, James M.] Rice Univ, Dept Chem, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA. [Sinitskii, Alexander; Tour, James M.] Rice Univ, Smalley Inst Nanoscale Sci & Technol, Houston, TX 77005 USA. [Erickson, Kris J.; Gibb, Ashley L.; Rousseas, Michael; Alem, Nasim; Zettl, Alex K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Erickson, Kris J.; Gibb, Ashley L.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Erickson, Kris J.; Gibb, Ashley L.; Rousseas, Michael; Alem, Nasim; Zettl, Alex K.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Alem, Nasim] Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA. RP Tour, JM (reprint author), Rice Univ, Dept Chem, Dept Mech Engn & Mat Sci, POB 1892, Houston, TX 77005 USA. EM tour@rice.edu; azettl@berkeley.edu RI Sinitskii, Alexander/J-6619-2015; Zettl, Alex/O-4925-2016; OI Sinitskii, Alexander/0000-0002-8688-3451; Zettl, Alex/0000-0001-6330-136X; Tour, James/0000-0002-8479-9328 FU Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy [DE-AC02-05CH11231]; Center of Integrated Nanomechanical Systems (COINS) with NSF [EEC-0425914]; Office of Naval Research MURI; Air Force Research Laboratory through University Technology Corporation [09-S568-064-01-C1]; Air Force Office of Scientific Research [FA9550-09-1-0581] FX This work was supported in part by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 which provided for BNNT synthesis and preliminary intercalation via the sp2 and Hydrogen programs. The Center of Integrated Nanomechanical Systems (COINS) with NSF Grant EEC-0425914 provided support for TEM imaging. The Office of Naval Research MURI Graphene Program provided support for sample characterization and modeling. A.S. and J.M.T. further acknowledge the support by the Air Force Research Laboratory through University Technology Corporation, 09-S568-064-01-C1, and the Air Force Office of Scientific Research FA9550-09-1-0581. NR 33 TC 60 Z9 62 U1 5 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3221 EP 3226 DI 10.1021/nl2014857 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 804PJ UT WOS:000293665600028 PM 21608991 ER PT J AU Zhang, XB Pint, CL Lee, MH Schubert, BE Jamshidi, A Takei, K Ko, H Gillies, A Bardhan, R Urban, JJ Wu, M Fearing, R Javey, A AF Zhang, Xiaobo Pint, Cary L. Lee, Min Hyung Schubert, Bryan Edward Jamshidi, Arash Takei, Kuniharu Ko, Hyunhyub Gillies, Andrew Bardhan, Rizia Urban, Jeffrey J. Wu, Ming Fearing, Ronald Javey, Ali TI Optically- and Thermally-Responsive Programmable Materials Based on Carbon Nanotube-Hydrogel Polymer Composites SO NANO LETTERS LA English DT Article DE Poly(N-isopropylacrylamide); carbon nanotubes; programmable actuators; composites; responsive materials ID SHAPE-MEMORY POLYMERS; N-ISOPROPYLACRYLAMIDE; ARTIFICIAL MUSCLES; ACTUATORS; ELASTOMERS; DRIVEN; LIGHT; WATER; GELS AB A simple approach is described to fabricate reversible, thermally- and optically responsive actuators utilizing composites of poly(N-isopropylacrylamide) (pNIPAM) loaded with single-walled carbon nanotubes. With nanotube loading at concentrations of 0.75 mg/mL, we demonstrate up to 5 times enhancement to the thermal response time of the nanotube-pNIPAM hydrogel actuators caused by the enhanced mass transport of water molecules. Additionally, we demonstrate the ability to obtain ultrafast near-infrared optical response in nanotube-pNIPAM hydrogels under laser excitation enabled by the strong absorption properties of nanotubes. The work opens the framework to design complex and programmable self-folding materials, such as cubes and flowers, with advanced built-in features, including tunable response time as determined by the nanotube loading. C1 [Zhang, Xiaobo; Pint, Cary L.; Lee, Min Hyung; Jamshidi, Arash; Takei, Kuniharu; Ko, Hyunhyub; Wu, Ming; Javey, Ali] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Zhang, Xiaobo; Pint, Cary L.; Lee, Min Hyung; Takei, Kuniharu; Ko, Hyunhyub; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Bardhan, Rizia; Urban, Jeffrey J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Javey, A (reprint author), Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. EM ajavey@eecs.berkeley.edu RI Pint, Cary/C-5053-2009; bardhan, rizia/A-9393-2010; Zhang, Xiaobo/B-3818-2012; Lee, Min Hyung/H-6777-2012; Wu, Ming/J-9906-2012; Ko, Hyunhyub/C-4848-2009; Pint, Cary/I-6785-2013; Bardhan, Rizia/B-4674-2014; Javey, Ali/B-4818-2013 FU DARPA/DSO; NSF Center of Integrated Nanomechanical Systems; Berkeley Sensor and Actuator Center; Sloan Research Fellowship; NSF; Sunchon National University FX This work was supported by DARPA/DSO, NSF Center of Integrated Nanomechanical Systems and Berkeley Sensor and Actuator Center. A.J. acknowledges a Sloan Research Fellowship, NSF CAREER Award, and support from the World Class University program at Sunchon National University. NR 33 TC 141 Z9 144 U1 38 U2 269 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3239 EP 3244 DI 10.1021/nl201503e 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 804PJ UT WOS:000293665600031 PM 21736337 ER PT J AU Dowgiallo, AM Schwartzberg, AM Knappenberger, KL AF Dowgiallo, Anne-Marie Schwartzberg, Adam M. Knappenberger, Kenneth L., Jr. TI Structure-Dependent Coherent Acoustic Vibrations of Hollow Gold Nanospheres SO NANO LETTERS LA English DT Article DE Hollow gold nanospheres; acoustic modes; plasmon resonance; mechanical properties; dynamics ID METAL NANOPARTICLES; OPTICAL-PROPERTIES; ELECTRON DYNAMICS; PLASMON RESONANCE; NANOSTRUCTURES; ULTRAFAST; NANORODS; SURFACE; TIME; OSCILLATIONS AB Hollow gold nanospheres (HGNs) were excited with ultrashort laser pulses, and the coherent vibrational response was examined using femtosecond time-resolved transient absorption. The results indicated that HGNs support an isotropic mode, resulting in periodic modulation of the surface plasmon differential absorption. Two different categories of coherent acoustic vibrations, which depend on particle dimensions, were observed for HGNs. Further, the vibration launching mechanism was dependent upon the dimensions of the HGN. Coherent vibrations in HGNs characterized by small outer radii (<10 nm) and low cavity-radius-to-outer-shell radius aspect ratios (<0.5) were excited by a direct mechanism, whereas the vibrations observed for the larger particles (>25 nm OR) with higher aspect ratios (>0.5) resulted from an indirect mechanism. These findings may be significant for developing a predictive understanding of nanostructure optical and mechanical properties. C1 [Dowgiallo, Anne-Marie; Knappenberger, Kenneth L., Jr.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Schwartzberg, Adam M.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Knappenberger, KL (reprint author), Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. EM klk@chem.fsu.edu FU Air Force Office of Scientific Research [FA9550-10-1-0300] FX K.L.K. gratefully acknowledges the Air Force Office of Scientific Research for financial support through the Young Investigator Program, Grant FA9550-10-1-0300. NR 34 TC 25 Z9 25 U1 4 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3258 EP 3262 DI 10.1021/nl201557s 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 804PJ UT WOS:000293665600034 PM 21714493 ER PT J AU Gao, JB Perkins, CL Luther, JM Hanna, MC Chen, HY Semonin, OE Nozik, AJ Ellingson, RJ Beard, MC AF Gao, Jianbo Perkins, Craig L. Luther, Joseph M. Hanna, Mark C. Chen, Hsiang-Yu Semonin, Octavi E. Nozik, Arthur J. Ellingson, Randy J. Beard, Matthew C. TI n-Type Transition Metal Oxide as a Hole Extraction Layer in PbS Quantum Dot Solar Cells SO NANO LETTERS LA English DT Article DE Transition metal oxide; hole extraction layer; quantum dot; solar cell; band bending; gap states AB The n-type transition metal oxides (TMO) consisting of molybdenum oxide (MoOx) and vanadium oxide (V2Ox) are used as an efficient hole extraction layer (HEL) in heterojunction ZnO/PbS quantum dot solar cells (QDSC). A 4.4% NREL-certified device based on the MoOx HEL is reported with Al as the back contact material, representing a more than 65% efficiency improvement compared with the case of Au contacting the PbS quantum dot (QD) layer directly. We find the acting mechanism of the hole extraction layer to be a dipole formed at the MoOx and PbS interface enhancing band bending to allow efficient hole extraction from the valence band of the PbS layer by MoOx. The carrier transport to the metal anode is likely enhanced through shallow gap states in the MoOx layer. C1 [Gao, Jianbo; Perkins, Craig L.; Luther, Joseph M.; Hanna, Mark C.; Chen, Hsiang-Yu; Semonin, Octavi E.; Nozik, Arthur J.; Beard, Matthew C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Gao, Jianbo; Ellingson, Randy J.] Univ Toledo, Dept Phys & Astron, Wright Ctr Photovolta Innovat & Commercializat, Toledo, OH 43606 USA. [Semonin, Octavi E.; Nozik, Arthur J.] Univ Colorado, Dept Chem, Boulder, CO 80309 USA. RP Gao, JB (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jianbo.gao@nrel.gov; Matt.Beard@nrel.gov RI GAO, JIANBO/A-3923-2011; Ellingson, Randy/H-3424-2013; GAO, JIANBO/A-1633-2014; Nozik, Arthur/A-1481-2012; Nozik, Arthur/P-2641-2016; OI Semonin, Octavi Escala/0000-0002-4262-6955; BEARD, MATTHEW/0000-0002-2711-1355 FU NREL; U.S. DOE Office of Science; DOE [DE-AC36-08GO28308] FX The authors thank B. Gregg for technical support on transition metal oxide deposition. J.G., H.Y.C., and R.J.E. were supported by a PV seed fund provided by the NCPV program at NREL. J.M.L., A.J.N., and M.C.B. were supported by the Center for Advanced Solar Photophysics an Energy Frontier Research Center funded by U.S. DOE Office of Science. DOE funding was providing to NREL through contract DE-AC36-08GO28308. NR 24 TC 146 Z9 147 U1 12 U2 152 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3263 EP 3266 DI 10.1021/nl2015729 PG 4 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 804PJ UT WOS:000293665600035 PM 21688813 ER PT J AU Lopez-Bezanilla, A Huang, JS Terrones, H Sumpter, BG AF Lopez-Bezanilla, Alejandro Huang, Jingsong Terrones, Humberto Sumpter, Bobby G. TI Boron Nitride Nanoribbons Become Metallic SO NANO LETTERS LA English DT Article DE Boron nitride; nanoribbon; edge functionalization; Peierls-like distortion; magnetic moment; DFT ID CHEMICAL-VAPOR-DEPOSITION; GRAPHENE NANORIBBONS; LARGE-AREA; FILMS; GRAPHITE; STATE; EDGE; GAS AB Standard spin-polarized density functional theory calculations have been conducted to study the electronic structures and magnetic properties of O and S functionalized zigzag boron nitride nanoribbons (zBNNRs). Unlike the semiconducting and nonmagnetic H edge-terminated zBNNRs, the O edge-terminated zBNNRs have two energetically degenerate magnetic ground states with a ferrimagnetic character on the B edge, both of which are metallic. In contrast, the S edge-terminated zBNNRs are nonmagnetic albeit still metallic. An intriguing coexistence of two different Peierls-like distortions is observed for S edge-termination that manifests as a strong S dimerization at the B zigzag edge and a weak S trimerization at the N zigzag edge, dictated by the band fillings at the vicinity of the Fermi level. Nevertheless, metallicity is retained along the S wire on the N edge due to the partial filling of the band derived from the p(z) orbital of S. A second type of functionalization with O or S atoms embedded in the center of zBNNRs yields semiconducting features. Detailed examination of both types of functionalized zBNNRs reveals that the p orbitals on O or S play a crucial role in mediating the electronic structures of the ribbons. We suggest that O and S functionalization of zBNNRs may open new routes toward practical electronic devices based on boron nitride materials. C1 [Lopez-Bezanilla, Alejandro; Huang, Jingsong; Terrones, Humberto; Sumpter, Bobby G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Lopez-Bezanilla, A (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM alm@ornl.gov RI Sumpter, Bobby/C-9459-2013; Lopez-Bezanilla, Alejandro/B-9125-2015; Huang, Jingsong/A-2789-2008 OI Sumpter, Bobby/0000-0001-6341-0355; Lopez-Bezanilla, Alejandro/0000-0002-4142-2360; Huang, Jingsong/0000-0001-8993-2506 FU Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; Division of Scientific User Facilities, U.S. Department of Energy FX This research used computational resources of the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. We are also grateful for the support from the Center for Nanophase Materials Sciences (CNMS), sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. We are indebted to Professor Ashwin Ramasubramaniam and Drs. Paul R Kent, Eduardo Cruz-Silva, and Miguel Fuentes-Cabrera for helpful discussions. NR 35 TC 65 Z9 65 U1 5 U2 85 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3267 EP 3273 DI 10.1021/nl201616h 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 804PJ UT WOS:000293665600036 PM 21736341 ER PT J AU Yuk, JM Kim, K Aleman, B Regan, W Ryu, JH Park, J Ercius, P Lee, HM Alivisatos, AP Crommie, MF Lee, JY Zettl, A AF Yuk, Jong Min Kim, Kwanpyo Aleman, Benjamin Regan, William Ryu, Ji Hoon Park, Jungwon Ercius, Peter Lee, Hyuck Mo Alivisatos, A. Paul Crommie, Michael F. Lee, Jeong Yong Zettl, Alex TI Graphene Veils and Sandwiches SO NANO LETTERS LA English DT Article DE Graphene; stacks of graphene; two-dimensional sheets; artificial layered materials; two-dimensional platform ID MOLECULAR-BEAM EPITAXY; SINGLE-LAYER GRAPHENE; HIGH-QUALITY; SHEETS; FILMS; NANOPARTICLES AB We report a new and highly versatile approach to artificial layered materials synthesis which borrows concepts of molecular beam epitaxy, self-assembly, and graphite intercalation compounds. It readily yields stacks of graphene (or other two-dimensional sheets) separated by virtually any kind of "guest" species. The new material can be "sandwich like", for which the guest species are relatively closely spaced and form a near-continuous inner layer of the sandwich, or "veil like", where the guest species are widely separated, with each guest individually draped within a close-fitting, protective yet atomically thin graphene net or veil. The veils and sandwiches can be intermixed and used as a two-dimensional platform to control the movements and chemical interactions of guest species. C1 [Yuk, Jong Min; Ryu, Ji Hoon; Lee, Hyuck Mo; Lee, Jeong Yong] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. [Yuk, Jong Min; Kim, Kwanpyo; Aleman, Benjamin; Regan, William; Crommie, Michael F.; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Yuk, Jong Min; Kim, Kwanpyo; Aleman, Benjamin; Regan, William; Crommie, Michael F.; Zettl, Alex] Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA. [Park, Jungwon; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yuk, Jong Min; Kim, Kwanpyo; Aleman, Benjamin; Regan, William; Park, Jungwon; Alivisatos, A. Paul; Crommie, Michael F.; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ercius, Peter] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Lee, JY (reprint author), Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. EM j.y.lee@kaist.ac.kr; azettl@berkeley.edu RI Lee, Jeong Yong/C-8864-2011; Lee, Hyuck Mo/C-1994-2011; Kim, Kwanpyo/D-9121-2011; Alivisatos , Paul /N-8863-2015; Yuk, Jong Min/I-8770-2016; Park, Jungwon/O-1153-2016; Zettl, Alex/O-4925-2016; Lee, Junyoung/D-5463-2012 OI Kim, Kwanpyo/0000-0001-8497-2330; Alivisatos , Paul /0000-0001-6895-9048; Yuk, Jong Min/0000-0002-4677-7363; Park, Jungwon/0000-0003-2927-4331; Zettl, Alex/0000-0001-6330-136X; Regan, William/0000-0003-0143-9827; Lee, Junyoung/0000-0001-6689-2759 FU Office of Energy Research, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation within the Center of Integrated Nanomechanical Systems [EEC-0832819]; Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy [DE-AC02-05CH11231, KC3105]; National Science Foundation [0906539]; U.S. Department of Energy [DE-AC02-05CH11231]; Ministry of Education, Science and Technology [2009-0094040]; UC Berkeley FX We thank W. Gannett for helpful discussions and M. L. Tang at U.C. Berkeley for helpful discussions and for preparation of nanoparticles. This research was supported in part by the Director, Office of Energy Research, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, which provided for in situ TEM experiments; by the National Science Foundation within the Center of Integrated Nanomechanical Systems, under Grant EEC-0832819, which provided for CVD graphene synthesis; by the Physical Chemistry of Semiconductor Nanocrystals Program, KC3105, Director, Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under Contract DE-AC02-05CH11231, which provided for nanoparticle synthesis; and by the National Science Foundation under Grant No. 0906539, which provided for design of the experiment, sample preparation, and analysis of the results. High-resolution imaging of graphene was performed at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, which is supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. J.M.Y. and J.Y.L. acknowledge the financial support from Priority Research Centers Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (Grant No. 2009-0094040); W.R. acknowledges support through a National Science Foundation Graduate Research Fellowship; and B.A. acknowledges support from the UC Berkeley A.J. Macchi Fellowship Fund in the Physical Sciences. NR 37 TC 32 Z9 32 U1 9 U2 95 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3290 EP 3294 DI 10.1021/nl201647p 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 804PJ UT WOS:000293665600040 PM 21770385 ER PT J AU Liu, XH Zheng, H Zhong, L Huan, S Karki, K Zhang, LQ Liu, Y Kushima, A Liang, WT Wang, JW Cho, JH Epstein, E Dayeh, SA Picraux, ST Zhu, T Li, J Sullivan, JP Cumings, J Wang, CS Mao, SX Ye, ZZ Zhang, SL Huang, JY AF Liu, Xiao Hua Zheng, He Zhong, Li Huan, Shan Karki, Khim Zhang, Li Qiang Liu, Yang Kushima, Akihiro Liang, Wen Tao Wang, Jiang Wei Cho, Jeong-Hyun Epstein, Eric Dayeh, Shadi A. Picraux, S. Tom Zhu, Ting Li, Ju Sullivan, John P. Cumings, John Wang, Chunsheng Mao, Scott X. Ye, Zhi Zhen Zhang, Sulin Huang, Jian Yu TI Anisotropic Swelling and Fracture of Silicon Nanowires during Lithiation SO NANO LETTERS LA English DT Article DE Silicon nanowire; lithium ion battery; anisotropic swelling; volume expansion; fracture; in situ TEM ID LI-ION BATTERIES; SOLID-STATE AMORPHIZATION; ELECTROCHEMICAL LITHIATION; CRYSTALLINE SILICON; STRUCTURAL-CHANGES; LITHIUM INSERTION; HIGH-CAPACITY; THIN-FILMS; ELECTRODES; ANODES AB We report direct observation of an unexpected anisotropic swelling of Si nanowires during lithiation against either a solid electrolyte with a lithium counter-electrode or a liquid electrolyte with a LiCoO(2) counter-electrode. Such anisotropic expansion is attributed to the interfacial processes of accommodating large volumetric strains at the lithiation reaction front that depend sensitively on the crystallographic orientation. This anisotropic swelling results in lithiated Si nanowires with a remarkable dumbbell-shaped cross section, which develops due to plastic flow and an ensuing necking instability that is induced by the tensile hoop stress buildup in the lithiated shell. The plasticity-driven morphological instabilities often lead to fracture in lithiated nanowires, now captured in video. These results provide important insight into the battery degradation mechanisms. C1 [Huan, Shan; Zhu, Ting] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Liu, Xiao Hua; Liu, Yang; Sullivan, John P.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Zheng, He; Zhong, Li; Zhang, Li Qiang; Wang, Jiang Wei; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Karki, Khim; Epstein, Eric; Cumings, John] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Kushima, Akihiro; Li, Ju] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Liang, Wen Tao] Penn State Univ, Dept Engn Sci & Mech, University Pk, PA 16802 USA. [Cho, Jeong-Hyun; Dayeh, Shadi A.; Picraux, S. Tom] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Li, Ju] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat & Frontier, Inst Sci & Technol, Xian 710049, Peoples R China. [Wang, Chunsheng] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD 20742 USA. [Zhang, Li Qiang; Ye, Zhi Zhen] Zhejiang Univ, State Key Lab Silicon Mat, Dept Mat Sci & Engn, Hangzhou 310027, Peoples R China. [Zheng, He] Wuhan Univ, Dept Phys, Ctr Elect Microscopy, Wuhan 430072, Peoples R China. [Zheng, He] Wuhan Univ, Key Lab Acoust & Photon Mat & Devices, Wuhan 430072, Peoples R China. RP Zhu, T (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM ting.zhu@me.gatech.edu; liju@seas.upenn.edu; jhuang@sandia.gov RI Liang, Wentao/J-8771-2015; Zhang, Liqiang/E-6539-2015; Kushima, Akihiro/H-2347-2011; Wang, Jiangwei/F-8249-2011; Wang, Chunsheng/H-5767-2011; Cumings, John/A-3595-2012; Karki, Khim/B-2271-2012; Liu, Yang/C-9576-2012; Liu, Xiaohua/A-8752-2011; Huang, Jianyu/C-5183-2008; Zheng, He/E-2964-2012; Zhu, Ting/A-2206-2009; Li, Ju/A-2993-2008; Dayeh, Shadi/H-5621-2012; Zhang, Sulin /E-6457-2010; Zhong, Li/I-3714-2014 OI Zhang, Liqiang/0000-0001-7482-0739; Wang, Jiangwei/0000-0003-1191-0782; Wang, Chunsheng/0000-0002-8626-6381; Karki, Khim/0000-0002-0999-3964; Liu, Xiaohua/0000-0002-7300-7145; Zheng, He/0000-0002-6476-8524; Li, Ju/0000-0002-7841-8058; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DESC0001160]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; NSF [CMMI-0758554, CMMI-0825435, DMR-1008104]; AFOSR [FA9550-08-1-0325] FX Portions of this work were supported by a Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories (SNL) and partly by Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DESC0001160. The LDRD supported the development and fabrication of platforms. The NEES center supported the development of TEM techniques. CINT supported the TEM capability; in addition, this work represents the efforts of several CINT users, primarily those with affiliation external to Sandia National Laboratories. In addition, this work was performed, in part, at the Sandia-Los Alamos Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. T.Z. acknowledges the support by NSF Grants CMMI-0758554 and CMMI-0825435. A.K. and J.L. acknowledge support by NSF DMR-1008104 and AFOSR FA9550-08-1-0325. NR 48 TC 303 Z9 305 U1 34 U2 394 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3312 EP 3318 DI 10.1021/nl201684d 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 804PJ UT WOS:000293665600044 PM 21707052 ER PT J AU Vasudevan, RK Liu, YY Li, JY Liang, WI Kumar, A Jesse, S Chen, YC Chu, YH Nagarajan, V Kalinin, SV AF Vasudevan, Rama K. Liu, Yunya Li, Jiangyu Liang, Wen-I Kumar, Amit Jesse, Stephen Chen, Yi-Chun Chu, Ying-Hao Nagarajan, Valanoor Kalinin, Sergei V. TI Nanoscale Control of Phase Variants in Strain-Engineered BiFeO3 SO NANO LETTERS LA English DT Article DE Bismuth ferrite; mixed phase; cantilever resonance tracking; PFM ID MULTIFERROIC BIFEO3; ROOM-TEMPERATURE; THIN-FILMS; CONDUCTION; CRYSTALS; DOMAINS AB Development of magnetoelectric, electromechanical, and photovoltaic devices based on mixed-phase rhombohedral-tetragonal (R-T) BiFeO3 (BFO) systems is possible only if the control of the engineered R phase variants is realized. Accordingly, we explore the mechanism of a bias induced phase transformation in this system. Single point spectroscopy demonstrates that the T -> R transition is activated at lower voltages compared to T -> - T polarization switching. With phase field modeling, the transition is shown to be electrically driven. We further demonstrate that symmetry of formed R-phase rosettes can be broken by a proximal probe motion, allowing controlled creation of R variants with defined orientation. This approach opens a pathway to designing next-generation magnetoelectronic and data storage devices in the nanoscale. C1 [Kumar, Amit; Jesse, Stephen; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Vasudevan, Rama K.; Nagarajan, Valanoor] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. [Liu, Yunya] Xiangtan Univ, Fac Mat Optoelect & Phys, Xiangtan 411105, Hunan, Peoples R China. [Liu, Yunya] Xiangtan Univ, Key Lab Low Dimens Mat & Applicat Technol, Minist Educ, Xiangtan 411105, Hunan, Peoples R China. [Liu, Yunya; Li, Jiangyu] Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA. [Liang, Wen-I; Chu, Ying-Hao] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan. [Chen, Yi-Chun] Natl Cheng Kung Univ, Dept Phys, Tainan 70101, Taiwan. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Ying-Hao, Chu/A-4204-2008; Li, Jiangyu/B-3191-2008; valanoor, nagarajan/B-4159-2012; Kumar, Amit/C-9662-2012; Dom, Rekha/B-7113-2012; Kalinin, Sergei/I-9096-2012; Vasudevan, Rama/Q-2530-2015; Jesse, Stephen/D-3975-2016 OI Ying-Hao, Chu/0000-0002-3435-9084; Li, Jiangyu/0000-0003-0533-1397; Kumar, Amit/0000-0002-1194-5531; Kalinin, Sergei/0000-0001-5354-6152; Vasudevan, Rama/0000-0003-4692-8579; Jesse, Stephen/0000-0002-1168-8483 FU ARC [DP1096669]; Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy; NSF [1006194]; ARO [W911NF-07-1-0410]; National Science Council, R.O.C. [NSC-99-2811-M-009-003]; NSFC [10732100, 10972189] FX R.K.V. and V.N. acknowledge ARC Discovery Project DP1096669. The research at ORNL (A.K., S.J., S.V.K.) was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. J.Y.L. acknowledges support of NSF (DMR#1006194) and ARO (W911NF-07-1-0410), and Y.Y.L. acknowledges support of NSFC (10732100 and 10972189). Y.H.C. would like to acknowledge the support of the National Science Council, R.O.C., under Contract No. NSC-99-2811-M-009-003. NR 29 TC 48 Z9 48 U1 12 U2 125 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3346 EP 3354 DI 10.1021/nl201719w PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 804PJ UT WOS:000293665600050 PM 21702441 ER PT J AU Cordones, AA Bixby, TJ Leone, SR AF Cordones, Amy A. Bixby, Teresa J. Leone, Stephen R. TI Direct Measurement of Off-State Trapping Rate Fluctuations in Single Quantum Dot Fluorescence SO NANO LETTERS LA English DT Article DE Fluorescence blinking; single molecule; quantum dot; fluorescence decay; charge trapping; off-state ID CADMIUM SELENIDE NANOCRYSTALS; EMISSION; INTERMITTENCY; INTENSITY AB Fluorescence decay times measured during the off-state of single CdSe/ZnS quantum dot blinking are found to decrease with increasing off-state duration, contradicting the charging model widely considered to explain the blinking phenomenon. The change in the nonradiative process of a short off-state duration compared to a long one is investigated here through simultaneous measurement of fluorescence decay and blinking behavior. The results are investigated in the framework of two models based on fluctuating trapping rates. C1 [Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@berkeley.edu FU Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy through the Division of Materials Research [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory FX The authors gratefully acknowledge financial support by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy under Contract No. DE-AC02-05CH11231 through the Division of Materials Research. Partial financial support of T.J.B. was provided by the Laboratory Directed Research and Development program at Lawrence Berkeley National Laboratory. NR 26 TC 31 Z9 31 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3366 EP 3369 DI 10.1021/nl2017674 PG 4 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 804PJ UT WOS:000293665600053 PM 21732607 ER PT J AU Lu, ZD Gao, CB Zhang, Q Chi, MF Howe, JY Yin, YD AF Lu, Zhenda Gao, Chuanbo Zhang, Qiao Chi, Miaofang Howe, Jane Y. Yin, Yadong TI Direct Assembly of Hydrophobic Nanoparticles to Multifunctional Structures SO NANO LETTERS LA English DT Article DE Self-assembly; hydrophobic nanoparticles; multifunctional materials; mercapto-silica; multilayer structures ID PERFORMANCE MAGNETIC-RESONANCE; SILICA SPHERES; QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; MESOPOROUS SILICA; DESIGNED FABRICATION; GOLD NANOPARTICLES; SCALE SYNTHESIS; MONODISPERSE; SURFACES AB We present a general process that allows convenient production of multifunctional composite particles by direct self-assembly of hydrophobic nanoparticles on host nanostructures containing high-density surface thiol groups. Hydrophobic nanoparticles of various compositions and combinations can be directly assembled onto the host surface through the strong coordination interactions between metal cations and thiol groups. The resulting structures can be further conveniently overcoated with a layer of normal silica to stabilize the assemblies and render them highly dispersible in water for biomedical applications. As the entire fabrication process does not involve complicated surface modification procedures, the hydrophobic ligands on the nanoparticles are not disturbed significantly so that they retain their original properties such as highly efficient luminescence. Many complex composite nanostructures with tailored functions can be efficiently produced by using this versatile approach. For example, multifunctional nonspherical nanostructures can be efficiently produced by using mercapto-silica coated nano-objects of arbitrary shapes as hosts for immobilizing functional nanoparticles. Multilayer structures can also be achieved by repeating the mercapto-silica coating and nanoparticle immobilization processes. Such assembly approach will provide the research community a highly versatile, configurable, scalable, and reproducible process for the preparation of various multifunctional structures. C1 [Lu, Zhenda; Gao, Chuanbo; Zhang, Qiao; Yin, Yadong] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. [Chi, Miaofang; Howe, Jane Y.] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN 37830 USA. RP Yin, YD (reprint author), Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. EM yadong.yin@ucr.edu RI Yin, Yadong/D-5987-2011; Lu, Zhenda/B-2346-2010; Howe, Jane/G-2890-2011; Zhang, Qiao/C-2251-2008; Gao, Chuanbo/D-6121-2011; Chi, Miaofang/Q-2489-2015 OI Yin, Yadong/0000-0003-0218-3042; Zhang, Qiao/0000-0001-9682-3295; Gao, Chuanbo/0000-0003-3429-3473; Chi, Miaofang/0000-0003-0764-1567 FU U.S. Department of Energy [DE-SC0002247]; National Science Foundation [DMR-0956081]; Research Corporation for Science Advancement; 3M; DuPont; Office of Basic Energy Sciences, U.S. DOE FX This work has been supported in part by the U.S. Department of Energy (Grant DE-SC0002247) and a Faculty Early Career Development (CAREER) award from the National Science Foundation (DMR-0956081). Y.Y. also thanks the Research Corporation for Science Advancement for the Cottrell Scholar Award, 3M for the Nontenured Faculty Grant, and DuPont for the Young Professor Grant. Part of TEM work was performed at ORNL's Shared Research Equipment (SHaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, U.S. DOE. NR 67 TC 51 Z9 52 U1 13 U2 166 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3404 EP 3412 DI 10.1021/nl201820r PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 804PJ UT WOS:000293665600060 PM 21732588 ER PT J AU Lee, MH Lim, N Ruebusch, DJ Jamshidi, A Kapadia, R Lee, R Seok, TJ Takei, K Cho, KY Fan, ZY Jang, H Wu, M Cho, G Javey, A AF Lee, Min Hyung Lim, Namsoo Ruebusch, Daniel J. Jamshidi, Arash Kapadia, Rehan Lee, Rebecca Seok, Tae Joon Takei, Kuniharu Cho, Kee Young Fan, Zhiyoung Jang, Hwanung Wu, Ming Cho, Gyoujin Javey, Ali TI Roll-to-Roll Anodization and Etching of Aluminum Foils for High-Throughput Surface Nanotexturing SO NANO LETTERS LA English DT Article DE Nanopatterning; nanomolding; anodization; anodized alumina; surface texturing ID ENHANCED RAMAN-SCATTERING; ENERGY-STORAGE; NANOROD ARRAYS; METAL; NANOCRYSTALS; LIQUID; FILMS AB A high-throughput process for nanotexturing of hard and soft surfaces based on the roll-to-roll anodization and etching of low-cost aluminum foils is presented. The process enables the precise control of surface topography, feature size, and shape over large areas thereby presenting a highly versatile platform for fabricating substrates with user-defined, functional performance. Specifically, the optical and surface wetting properties of the foil substrates were systematically characterized and tuned through the modulation of the surface texture. In addition, textured aluminum foils with pore and bowl surface features were used as zeptoliter reaction vessels for the well-controlled synthesis of inorganic, organic, and plasmonic nanomaterials, demonstrating yet another powerful potential use of the presented approach. C1 [Lee, Min Hyung; Ruebusch, Daniel J.; Jamshidi, Arash; Kapadia, Rehan; Seok, Tae Joon; Takei, Kuniharu; Cho, Kee Young; Fan, Zhiyoung; Wu, Ming; Javey, Ali] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Lee, Min Hyung; Ruebusch, Daniel J.; Kapadia, Rehan; Takei, Kuniharu; Cho, Kee Young; Fan, Zhiyoung; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Lim, Namsoo; Jang, Hwanung; Cho, Gyoujin] Sunchon Natl Univ, Sunchon, South Korea. [Lim, Namsoo] PARU Co Ltd Sunchon, Paru Printed Elect Res Inst, Jeonnam 540813, South Korea. RP Javey, A (reprint author), Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. EM ajavey@berkeley.edu RI Fan, Zhiyong/C-4970-2012; Lee, Min Hyung/H-6777-2012; Wu, Ming/J-9906-2012; Kapadia, Rehan/B-4100-2013; Javey, Ali/B-4818-2013; OI Kapadia, Rehan/0000-0002-7611-0551; Fan, Zhiyong/0000-0002-5397-0129 FU Sunchon National University; DARPA/DSO; Mohr Davidow Ventures; Lawrence Berkeley National Laboratory; Sloan Fellowship FX This work was partially funded by the World Class University program at Sunchon National University, DARPA/DSO, and Mohr Davidow Ventures. The synthesis part of this work was supported by a LDRD from Lawrence Berkeley National Laboratory. A.J. acknowledges a Sloan Fellowship. NR 30 TC 32 Z9 32 U1 4 U2 32 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3425 EP 3430 DI 10.1021/nl201862d 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 804PJ UT WOS:000293665600063 PM 21774501 ER PT J AU Wang, S Ota, S Guo, B Ryu, J Rhodes, C Xiong, Y Kalim, S Zeng, L Chen, Y Teitell, MA Zhang, X AF Wang, Sheng Ota, Sadao Guo, Bin Ryu, Jongeun Rhodes, Christopher Xiong, Yi Kalim, Sheraz Zeng, Li Chen, Yong Teitell, Michael A. Zhang, Xiang TI Subcellular Resolution Mapping of Endogenous Cytokine Secretion by Nano-Plasmonic-Resonator Sensor Array SO NANO LETTERS LA English DT Article DE Biosensing; plasmonic resonator; in situ immunoassay; cytokine; T cell; nanoimprint lithography (NIL) ID METAL-ENHANCED FLUORESCENCE; AUTOCRINE GROWTH; T-CELLS AB Local extracellular signaling is central for cellular interactions and organizations. We report a novel sensing technique to interrogate extracellular signaling at the subcellular level. We developed an in situ immunoassay based on giant optical enhancement of a tunable nano-plasmonic-resonator array fabricated by nanoimprint lithography. Our nanoplasmonic device significantly increases the signal-to-noise ratio to enable the first time submicrometer resolution quantitative mapping of endogenous cytokine secretion. Our study shows a markedly high local interleukin-2 (IL-2) concentration within the immediate vicinity of the cell which finally validates a decades-old hypothesis on autocrine physiological concentration and spatial range. This general sensing technique can be applied for a broad range of cellular communication studies to improve our understanding of subcellular signaling and function. C1 [Wang, Sheng; Ota, Sadao; Guo, Bin; Rhodes, Christopher; Xiong, Yi; Zeng, Li; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. [Ryu, Jongeun; Chen, Yong] Univ Calif Los Angeles, Dept Mech & Aerosp Engn, Los Angeles, CA 90095 USA. [Kalim, Sheraz; Teitell, Michael A.] Univ Calif Los Angeles, Dept Pathol & Lab Med, Los Angeles, CA 90095 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Zhang, Xiang/F-6905-2011; Wang, Sheng/F-4095-2012 FU National Institutes of Health (NIH), Nanomedicine Development Center (Center for Cell Control) [PN2EY018228]; NIH; National Science Foundation (NSF) Nanoscale Science and Engineering Center (SINAM) [CMMI-0751621] FX We thank Dr. Ajithkumar Warner for the helpful discussions. The authors acknowledge National Institutes of Health (NIH) funding through the Nanomedicine Development Center (Center for Cell Control, PN2EY018228), an NIH Roadmap award. This work was also supported in part by National Science Foundation (NSF) Nanoscale Science and Engineering Center (SINAM; CMMI-0751621). NR 30 TC 24 Z9 24 U1 1 U2 32 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3431 EP 3434 DI 10.1021/nl2018838 PG 4 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 804PJ UT WOS:000293665600064 PM 21780816 ER PT J AU Guiton, BS Iberi, V Li, SZ Leonard, DN Parish, CM Kotula, PG Varela, M Schatz, GC Pennycook, SJ Camden, JP AF Guiton, Beth S. Iberi, Vighter Li, Shuzhou Leonard, Donovan N. Parish, Chad M. Kotula, Paul G. Varela, Maria Schatz, George C. Pennycook, Stephen J. Camden, Jon P. TI Correlated Optical Measurements and Plasmon Mapping of Silver Nanorods SO NANO LETTERS LA English DT Article DE Plasmonics; EELS; STEM; discrete dipole approximation; Rayleigh scattering; multivariate statistical analysis ID MULTIVARIATE STATISTICAL-ANALYSIS; DISCRETE-DIPOLE APPROXIMATION; ENHANCED RAMAN-SCATTERING; SIMS SPECTRUM-IMAGES; METAL NANOPARTICLES; ELECTRON-MICROSCOPY; ENERGY-LOSSES; SURFACE; RESONANCES AB Plasmonics is a rapidly growing field, yet imaging of the plasmonic modes in complex nanoscale architectures is extremely challenging. Here we obtain spatial maps of the localized surface plasmon modes of high-aspect-ratio silver nanorods using electron energy loss spectroscopy (EELS) and correlate to optical data and classical electrodynamics calculations from the exact same particles. EELS mapping is thus demonstrated to be an invaluable technique for elucidating complex and overlapping plasmon modes. C1 [Guiton, Beth S.; Leonard, Donovan N.; Parish, Chad M.; Varela, Maria; Pennycook, Stephen J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Guiton, Beth S.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA. [Iberi, Vighter; Camden, Jon P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Li, Shuzhou] Nanyang Technol Univ, Div Mat Sci, Sch Mat Sci & Engn, Singapore 639798, Singapore. [Leonard, Donovan N.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Kotula, Paul G.] Sandia Natl Labs, Mat Characterizat Dept, Albuquerque, NM 87185 USA. [Schatz, George C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Pennycook, Stephen J.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RP Guiton, BS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM beth.guiton@uky.edu; jcamden@utk.edu RI Li, Shuzhou/E-3146-2010; Varela, Maria/H-2648-2012; Kotula, Paul/A-7657-2011; Parish, Chad/J-8381-2013; Varela, Maria/E-2472-2014 OI Li, Shuzhou/0000-0002-2159-2602; Kotula, Paul/0000-0002-7521-2759; Varela, Maria/0000-0002-6582-7004 FU Oak Ridge National Laboratory; UT Knoxville; UT/ORNL Joint Institute for Advanced Materials; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0004792]; NTU of Singapore MoE [RG 43/10]; Office of Basic Energy Sciences, U.S. Department of Energy; Sandia; United States Department of Energy's (DOE) National Nuclear Security Administration (NNSA) [E-AC0494AL85000]; DOE BES [DE-SC0004752]; Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy FX This research was supported by the Eugene P. Wigner Fellowship program of Oak Ridge National Laboratory (B.S.G.); UT Knoxville start up grant, the UT/ORNL Joint Institute for Advanced Materials, and the U.S. Department of Energy, Office of Basic Energy Sciences under Award Number DE-SC0004792 (J.P.C.); Start up grant of NTU and AcRF Tier 1 grant (RG 43/10) of Singapore MoE (S.L.); Oak Ridge National Laboratory's SHaRE User Facility (C.M.P.), which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy; Sandia (P. G.K.) is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's (DOE) National Nuclear Security Administration (NNSA) under Contract DE-AC0494AL85000; DOE BES Grant DE-SC0004752 (G.C.S., S.L.); and the Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy (S.J.P., M.V., D.N.L.). Roles and responsibilities: B.S.G., SJ.P., and J.P.C. designed the experiments; B.S.G., V.I., D.N.L., and M.V. collected and analyzed the data; C.M.P., P.G.K., and B.S.G. performed the MVSA; S.L. and G.C.S. performed the theoretical calculations; all authors participated in the discussion and analysis of the results and read and commented on the final manuscript. NR 38 TC 74 Z9 74 U1 4 U2 113 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD AUG PY 2011 VL 11 IS 8 BP 3482 EP 3488 DI 10.1021/nl202027h 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 804PJ UT WOS:000293665600072 PM 21732618 ER PT J AU Basunia, MS AF Basunia, M. Shamsuzzoha TI Nuclear Data Sheets for A=27 SO NUCLEAR DATA SHEETS LA English DT Article ID NEUTRON-RICH NUCLEI; ELECTRIC QUADRUPOLE-MOMENTS; PROTON-THRESHOLD STATES; REACTION CROSS-SECTION; HIGH-SPIN STATES; SD-SHELL NUCLEI; RAY EMISSION PROBABILITIES; LOW STELLAR TEMPERATURES; RADIOACTIVE ION-BEAMS; CAPTURE GAMMA RAYS AB Evaluated spectroscopic data and level schemes from radioactive decay and nuclear reaction studies are presented for F-27, Ne-27, Na-27, Mg-27, Al-27, Si-27, P-27, and S-27. This evaluation for A=27 supersedes the earlier evaluation by P.M.Endt (1998En04 and 1990En08). C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Basunia, MS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. FU Office of Basic Energy Sciences, US Department of Energy [DE-AC02-05CH11231] FX Research sponsored by Office of Basic Energy Sciences, US Department of Energy, under contract DE-AC02-05CH11231. NR 215 TC 17 Z9 17 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD AUG PY 2011 VL 112 IS 8 BP 1875 EP + DI 10.1016/j.nds.2011.08.001 PG 73 WC Physics, Nuclear SC Physics GA 813UZ UT WOS:000294397000001 ER PT J AU Johnson, TD Symochko, D Fadil, M Tuli, JK AF Johnson, T. D. Symochko, D. Fadil, M. Tuli, J. K. TI Nuclear Data Sheets for A=142 SO NUCLEAR DATA SHEETS LA English DT Article ID DELAYED-NEUTRON EMISSION; MEAN-FIELD THEORY; GASEOUS FISSION-PRODUCTS; RICH BARIUM ISOTOPES; HIGH-SPIN STATES; BEAM LASER SPECTROSCOPY; EVEN-EVEN NUCLEI; PICOSECOND LIFETIME MEASUREMENTS; ENERGY OCTUPOLE RESONANCE; ELECTRON-CAPTURE DECAY AB The 2000 Nuclear Data Sheets for A = 142 by J.K. Tuli, with literature cutoff date of February 4, 2000, has been revised. The evaluated experimental data are presented for 16 known nuclides of mass 142 (Ba, Ce, Cs, Dy, Eu, Gd, Ho, I, La, Nd, Pm, Pr, Sm, Tb, Te, Xe). Comparing to the previous evaluation (2000Tu01) significant changes were done to the level schemes of Gd, Cs, Ce and Nd. For all nuclides, the more recent Q values have been added. C1 [Johnson, T. D.; Symochko, D.; Fadil, M.; Tuli, J. K.] Brookhaven Natl Lab, Natl Nucl Data Ctr, GANIL, Upton, NY 11973 USA. RP Johnson, TD (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, GANIL, Upton, NY 11973 USA. FU US Department of Energy [DE-AC02-98CH10886] FX Research sponsored by US Department of Energy, under contract DE-AC02-98CH10886. NR 406 TC 11 Z9 11 U1 3 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD AUG PY 2011 VL 112 IS 8 BP 1949 EP + DI 10.1016/j.nds.2011.08.002 PG 178 WC Physics, Nuclear SC Physics GA 813UZ UT WOS:000294397000002 ER PT J AU Webb, JA Charit, I AF Webb, Jonathan A. Charit, Indrajit TI Monte Carlo criticality analysis of simple geometries containing tungsten-rhenium alloys engrained with uranium dioxide and uranium mononitride SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article AB The critical mass and dimensions of simple geometries containing highly enriched uranium dioxide (UO(2)) and uranium mononitride (UN) encapsulated in tungsten-rhenium alloys are determined using MCNP5 criticality calculations. Spheres as well as cylinders with length to radius ratios of 1.82 are computationally built to consist of 60 vol.% fuel and 40 vol.% metal matrix. Within the geometries, the uranium is enriched to 93 wt.% uranium-235 and the rhenium content within the metal alloy was modeled over the range of 0-30 at.%. The spheres containing UO(2) were determined to have a critical radius of 18.29-19.11 cm and a critical mass ranging from 366 kg to 424 kg. The cylinders containing UO(2) were found to have a critical radius ranging from 17.07 cm to 17.84cm with a corresponding critical mass of 406-471 kg. Spheres engrained with UN were determined to have a critical radius ranging from 14.82 cm to 15.19 cm and a critical mass between 222 kg and 242 kg. Cylinders which were engrained with UN were determined to have a critical radius ranging from 13.81 cm to 14.15 cm and a corresponding critical mass of 245-267 kg. The critical geometries were also computationally submerged in a neutronically infinite medium of fresh water to determine the effects of rhenium addition on criticality accidents due to water submersion. The Monte Carlo analysis demonstrated that rhenium addition of up to 30 at.% can reduce the excess reactivity due to water submersion by up to $5.07 for UO(2) fueled cylinders, $3.87 for UO(2) fueled spheres and approximately $3.00 for UN fueled spheres and cylinders. Published by Elsevier B.V. C1 [Webb, Jonathan A.] Idaho Natl Lab, Space Nucl Syst & Technol Div, Idaho Falls, ID 83415 USA. [Charit, Indrajit] Univ Idaho, Dept Chem & Mat Engn, Moscow, ID 83844 USA. RP Webb, JA (reprint author), Idaho Natl Lab, Space Nucl Syst & Technol Div, POB 1625, Idaho Falls, ID 83415 USA. EM jon.webb@inl.gov FU U.S. Department of Energies [42246-57] FX The work described within this paper was supported by the U.S. Department of Energies Nuclear Engineering University Program (NEUP), contract # 42246-57. NR 12 TC 5 Z9 5 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2011 VL 241 IS 8 BP 2968 EP 2973 DI 10.1016/j.nucengdes.2011.05.025 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 813NQ UT WOS:000294374600041 ER PT J AU Khericha, S Loewen, E AF Khericha, Soli Loewen, Eric TI Lead Coolant Test Facility-Design concept and requirements SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID VAPOR EXPLOSIONS; CORROSION; REACTORS AB The Idaho National Laboratory prepared a preliminary technical and functional requirements (T&FR), thermal hydraulic design and cost estimate for a Lead Coolant Test Facility. The purpose of this small scale facility is to simulate lead coolant fast reactor (LFR) coolant flow in an open lattice geometry core using seven electrical rods and liquid lead or lead-bismuth eutectic. Based on review of current world lead or lead-bismuth test facilities and research need listed in the Generation IV Roadmap, five broad areas of requirements are identified in this paper: Develop and demonstrate feasibility of submerged heat exchanger Develop and demonstrate open-lattice flow in electrically heated core Develop and demonstrate chemistry control Demonstrate safe operation Provision for future testing Across these five broad areas are supported by twenty-one specific requirements. The purpose of this facility is to focus the lead fast reactor community domestically on the requirements for the next unique state of the art test facility. The facility thermal hydraulic design is based on the maximum simulated core power using seven electrical heater rods of 420 kW; average linear heat generation rate of 300W/cm. The core inlet temperature for liquid lead or Pb/Bi eutectic is 420 degrees C. The design includes approximately seventy-five data measurements such as pressure, temperature, and flow rates. The preliminary estimated cost of construction of the facility is $3.7 M (in 2006 $). It is also estimated that the facility will require two years to be constructed and ready for operation. (C) 2011 Elsevier B.V. All rights reserved. C1 [Khericha, Soli] Battelle Energy Alliance LLC, Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Loewen, Eric] GE Hitachi Nucl Energy, Wilmington, NC USA. RP Khericha, S (reprint author), Battelle Energy Alliance LLC, Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM slk2@inel.gov; eric.loewen@ge.com NR 33 TC 3 Z9 3 U1 1 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2011 VL 241 IS 8 BP 3008 EP 3016 DI 10.1016/j.nucengdes.2011.06.003 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 813NQ UT WOS:000294374600044 ER PT J AU Bortot, S Moisseytsev, A Sienicki, JJ Artioli, C AF Bortot, S. Moisseytsev, A. Sienicki, J. J. Artioli, Carlo TI Core design investigation for a SUPERSTAR small modular lead-cooled fast reactor demonstrator SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article AB In this paper a preconceptual neutronics design study for a SUstainable Proliferation-resistance Enhanced Refined Secure Transportable Autonomous Reactor (SUPERSTAR) demonstrator is presented. The main goal of achieving the highest realistic power level limited by natural circulation and transportability, while providing energy security and proliferation resistance thanks to a long core lifetime design has been satisfactorily attained. A preliminary core configuration has been developed meeting the foremost requirements of limiting the reactivity swing over the core lifetime to about I $ and flattening the radial power profiles, as demanded by the choice of wrapper-less (i.e. without flow ducts) fuel assemblies and by the stringent technological constraints imposed by the requirement of short-term deployment. Reactivity coefficients and kinetic parameters have been evaluated for the reference beginning-of-life, middle-of-life and end-of-life core configurations. Furthermore, the results of thermal-hydraulic analyses of the primary loop have confirmed that the system can be effectively cooled by natural circulation heat transport, all the technological constraints being respected even when incorporating peaking factors. (C) 2011 Elsevier B.V. All rights reserved. C1 [Bortot, S.] Politecn Milan, Dept Energy, CeSNEF Nucl Engn Div, I-20133 Milan, Italy. [Moisseytsev, A.; Sienicki, J. J.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Artioli, Carlo] Natl Agcy New Technol Energy & Sustainable Econ D, I-40136 Bologna, Italy. RP Bortot, S (reprint author), Politecn Milan, Dept Energy, CeSNEF Nucl Engn Div, Via Ponzio 34-3, I-20133 Milan, Italy. EM sara.bortot@mail.polimi.it; amoissey@anl.gov; sienicki@anl.gov; carlo.artioli@enea.it FU U.S. Department of Energy [DE-AC02_06CH11357]; UChicago Argonne, LLC. [DE-AC02_06CH11357]; U.S. Department of Energy Fuel Cycle Research and Development FX Argonne National Laboratory's work has been supported under Prime Contract No. DE-AC02_06CH11357 between the U.S. Department of Energy and UChicago Argonne, LLC. This work was sponsored by the U.S. Department of Energy Fuel Cycle Research and Development Program. The authors are indebted to Dr. Robert N. Hill (ANL/NE), National Technical Director, for reviewing the manuscript. NR 24 TC 10 Z9 11 U1 1 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG PY 2011 VL 241 IS 8 BP 3021 EP 3031 DI 10.1016/j.nucengdes.2011.04.012 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 813NQ UT WOS:000294374600046 ER PT J AU Clark, DS Haan, SW Cook, AW Edwards, MJ Hammel, BA Koning, JM Marinak, MM AF Clark, D. S. Haan, S. W. Cook, A. W. Edwards, M. J. Hammel, B. A. Koning, J. M. Marinak, M. M. TI Short-wavelength and three-dimensional instability evolution in National Ignition Facility ignition capsule designs SO PHYSICS OF PLASMAS LA English DT Article DE fusion reactor fuel; fusion reactor ignition; plasma inertial confinement; plasma instability; plasma jets; plasma simulation; plasma X-ray sources ID RAYLEIGH-TAYLOR INSTABILITY; TARGETS; SIMULATIONS; IMPLOSIONS AB Ignition capsule designs for the National Ignition Facility (NIF) [G. H. Miller, E. I. Moses, and C. R. Wuest, Opt. Eng. 443, 2841 (2004)] have continued to evolve in light of improved physical data inputs, improving simulation techniques, and, most recently, experimental data from a growing number of NIF sub-ignition experiments. This paper summarizes a number of recent changes to the cryogenic capsule design and some of our latest techniques in simulating its performance. Specifically, recent experimental results indicated harder x-ray drive spectra in NIF hohlraums than were predicted and used in previous capsule optimization studies. To accommodate this harder drive spectrum, a series of high-resolution 2-D simulations, resolving Legendre mode numbers as high as 2000, were run and the germanium dopant concentration and ablator shell thicknesses re-optimized accordingly. Simultaneously, the possibility of cooperative or nonlinear interaction between neighboring ablator surface defects has motivated a series of fully 3-D simulations run with the massively parallel HYDRA code. These last simulations include perturbations seeded on all capsule interfaces and can use actual measured shell surfaces as initial conditions. 3-D simulations resolving Legendre modes up to 200 on large capsule sectors have run through ignition and burn, and higher resolution simulations resolving as high as mode 1200 have been run to benchmark high-resolution 2-D runs. Finally, highly resolved 3-D simulations have also been run of the jet-type perturbation caused by the fill tube fitted to the capsule. These 3-D simulations compare well with the more typical 2-D simulations used in assessing the fill tube's impact on ignition. Coupled with the latest experimental inputs from NIF, our improving simulation capability yields a fuller and more accurate picture of NIF ignition capsule performance. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3609834] C1 [Clark, D. S.; Haan, S. W.; Cook, A. W.; Edwards, M. J.; Hammel, B. A.; Koning, J. M.; Marinak, M. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Clark, DS (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 34 TC 39 Z9 39 U1 2 U2 10 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 AUG PY 2011 VL 18 IS 8 AR 082701 DI 10.1063/1.3609834 PG 14 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400039 ER PT J AU Gao, Z Fisch, NJ Qin, H AF Gao, Zhe Fisch, N. J. Qin, Hong TI Radial electric field generated by resonant trapped electron pinch with radio frequency injection in a tokamak plasma SO PHYSICS OF PLASMAS LA English DT Article DE pinch effect; plasma radiofrequency heating; plasma toroidal confinement; plasma transport processes; Tokamak devices ID LOWER-HYBRID WAVES; ALCATOR C-MOD; TOROIDAL ROTATION; TRANSPORT BARRIERS; RUNAWAY ELECTRONS; CURRENT DRIVE; DIII-D; SHEAR; INSTABILITY; DISCHARGES AB Radial electric fields in tokamaks can be generated by charge accumulation due to a resonant trapped electron pinch effect. The radial field can then drive a toroidal flow. This resonant pinch effect was evaluated for the current-drive scheme that diffused electrons in the direction parallel to the toroidal field. It was found that, for typical tokamak parameters, to generate a radial electric field on the order of 100 kV/m, an rf power density on the order of kW/m(3) is required. This power, absorbed by trapped electrons, is a small fraction of rf power density for current drive which is absorbed by passing electrons. However, according to the Landau resonant mechanism, the fraction of the momentum to trapped electrons decays exponentially with the square of the parallel phase velocity of the wave; therefore, the power absorbed at lower resonant velocities is the key. On the other hand, the redistribution of the current profile, due to rf current, decreases the local poloidal field and may reduce the particle transport significantly. It can relax the requirement of momentum deposited to trapped electrons, and, at the same time, contribute to explain the strongly correlation between the rotation and the driven current observed in experiments. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3624494] C1 [Gao, Zhe] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. [Gao, Zhe; Qin, Hong] Chinese Acad Sci, Ctr Magnet Fus Theory, Hefei 230031, Peoples R China. [Fisch, N. J.; Qin, Hong] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Qin, Hong] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Peoples R China. RP Gao, Z (reprint author), Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. EM gaozhe@tsinghua.edu.cn FU NSFC [10990214, 10875122]; MOST of China [2009GB105000, 2008GB717804] FX The authors gratefully thank Professor S. J. Wang for extensive discussion and helpful suggestions. Discussion with Professor X.T. Ding, Professor J.Q. Dong, Professor J.Q. Li, Professor H. Sugama, and Professor B.N. Wan are gratefully acknowledged as well. This work is supported by NSFC, under Grant Nos. 10990214 and 10875122, and MOST of China, under Contract Nos. 2009GB105000 and 2008GB717804. NR 46 TC 7 Z9 8 U1 3 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 J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2011 VL 18 IS 8 AR 082507 DI 10.1063/1.3624494 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400034 ER PT J AU Gary, SP Liu, KJ Winske, D AF Gary, S. Peter Liu, Kaijun Winske, Dan TI Whistler anisotropy instability at low electron beta: Particle-in-cell simulations SO PHYSICS OF PLASMAS LA English DT Article ID TEMPERATURE ANISOTROPY; MAGNETOSPHERE; GENERATION; EMISSIONS; PLASMAS; MODE AB The whistler anisotropy instability is studied in a magnetized, homogeneous, collisionless plasma model. The electrons (denoted by subscript e) are represented initially with a single bi-Maxwellian velocity distribution with a temperature anisotropy T(perpendicular to e)/T(parallel to e)>1, where perpendicular to and parallel to denote directions perpendicular and parallel to the background magnetic field B(o), respectively. Kinetic linear dispersion theory predicts that, if the ratio of the electron plasma frequency omega(e) to the electron cyclotron frequency Omega(e) is greater than unity and beta(parallel to e) >= 0.025, the maximum growth rate of this instability is at parallel propagation, where the fluctuating fields are strictly electromagnetic. At smaller values of beta(parallel to e), however, the maximum growth rate shifts to propagation oblique to Bo and the fluctuating electric fields become predominantly electrostatic. Linear theory and two-dimensional particle-in-cell simulations are used to examine the consequences of this transition. Three simulations are carried out, with initial beta(parallel to e) = 0.10, 0.03, and 0.01. The fluctuating fields of the beta(parallel to e) = 0.10 run are predominantly electromagnetic, with nonlinear consequences similar to those of simulations already described in the literature. In contrast, the growth of fluctuations at oblique propagation in the low electron beta runs leads to a significant delta E(parallel to), which heats the electrons leading to the formation of a substantial suprathermal component in the electron parallel velocity distribution. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3610378] C1 [Gary, S. Peter; Liu, Kaijun; Winske, Dan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gary, SP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM pgary@lanl.gov; kaijun@lanl.gov; winske@lanl.gov RI Dong, Li/F-4931-2010 FU U.S. Department of Energy (DOE); Defense Threat Reduction Agency [IACRO 10-4946I, IACRO 10-4284I]; Los Alamos National Laboratory FX This work was performed under the auspices of the U.S. Department of Energy (DOE). It was supported in part by the Defense Threat Reduction Agency under the "Basic Research for Combating Weapons of Mass Destruction (WMD)" Program, projects IACRO 10-4946I and IACRO 10-4284I, and in part by the Dynamic Radiation Environment Assimilation Model (DREAM) Project at Los Alamos National Laboratory. We are grateful to the sponsors of DREAM for financial and technical support. NR 15 TC 18 Z9 18 U1 6 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 J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2011 VL 18 IS 8 AR 082902 DI 10.1063/1.3610378 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400051 ER PT J AU Hansen, JF Dittrich, TR Elliott, JB Glendinning, SG Cotrell, DL AF Hansen, J. F. Dittrich, T. R. Elliott, J. B. Glendinning, S. G. Cotrell, D. L. TI A high-energy-density, high-Mach number single jet experiment SO PHYSICS OF PLASMAS LA English DT Article DE Mach number; numerical analysis; plasma density; plasma diagnostics; plasma jets; plasma shock waves; plasma simulation ID NATIONAL-IGNITION-FACILITY; SIMULATIONS; PERFORMANCE; NOVA AB A high-energy-density, x-ray-driven, high-Mach number (M >= 17) single jet experiment shows constant propagation speeds of the jet and its bowshock into the late time regime. The jet assumes a characteristic mushroom shape with a stalk and a head. The width of the head and the bowshock also grow linearly in time. The width of the stalk decreases exponentially toward an asymptotic value. In late time images, the stalk kinks and develops a filamentary nature, which is similar to experiments with applied magnetic fields. Numerical simulations match the experiment reasonably well, but "exterior" details of the laser target must be included to obtain a match at late times. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3609829] C1 [Hansen, J. F.; Dittrich, T. R.; Elliott, J. B.; Glendinning, S. G.; Cotrell, D. L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hansen, JF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX LLNL-JRNL-471546. 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 23 TC 1 Z9 3 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 AUG PY 2011 VL 18 IS 8 AR 082702 DI 10.1063/1.3609829 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400040 ER PT J AU Hanson, DE Collins, LA Kress, JD Desjarlais, MP AF Hanson, David E. Collins, Lee A. Kress, Joel D. Desjarlais, Michael P. TI Calculations of the thermal conductivity of National Ignition Facility target materials at temperatures near 10 eV and densities near 10 g/cc using finite-temperature quantum molecular dynamics SO PHYSICS OF PLASMAS LA English DT Article DE density functional theory; Hubbard model; molecular dynamics method; plasma dielectric properties; plasma simulation; thermal conductivity ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; LIQUID-METALS AB Using quantum finite-temperature density functional theory molecular dynamics (QMD), we performed simulations of several important materials in the Inertial Confinement Fusion-National Ignition Facility nominal target designs, comprising various mixtures of proposed ablator materials (Be or CH) with the DT fuel. Simulations were done over a range of temperatures between 5 eV and 20 eV, at densities between 7.5 and similar to 12.5 g/cc. From the QMD trajectories, we calculated the electrical and thermal conductivity. We estimated the number of free electrons per atom by fitting the frequency-dependent electrical conductivity to the Drude formula. The thermal conductivity of the fuel increases with density but that of the ablator material is insensitive to modest density variations. We find that the thermal conductivity depends strongly on the ablator/fuel mix fraction but a Faber-Ziman interpolation scheme provides a reasonable approximation. We also compare our QMD results to the Hubbard and Lee-More models. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3619811] C1 [Hanson, David E.; Collins, Lee A.; Kress, Joel D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Desjarlais, Michael P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hanson, DE (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. FU Los Alamos National Laboratory; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX We wish to thank Dr. Nels Hoffman for providing helpful information about NIF target physics and Dr. Steven Batha, Dr. Bruce Hammel, and Dr. Gilbert Collins for their helpful input. This work was performed under the auspices of Los Alamos National Laboratory, which is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. NR 16 TC 19 Z9 19 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2011 VL 18 IS 8 AR 082704 DI 10.1063/1.3619811 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400042 ER PT J AU Qin, H Davidson, RC AF Qin, Hong Davidson, Ronald C. TI Self-similar nonlinear dynamical solutions for one-component nonneutral plasma in a time-dependent linear focusing field SO PHYSICS OF PLASMAS LA English DT Article DE particle traps; plasma nonlinear processes; plasma properties ID THERMAL-EQUILIBRIUM; FLUID; MODES; TRAP AB In a linear trap confining a one-component nonneutral plasma, the external focusing force is a linear function of the configuration coordinates and/or the velocity coordinates. Linear traps include the classical Paul trap and the Penning trap, as well as the newly proposed rotating-radio-frequency traps and the Mobius accelerator. This paper describes a class of self-similar nonlinear solutions of nonneutral plasma in general time-dependent linear focusing devices, with self-consistent electrostatic field. This class of nonlinear solutions includes many known solutions as special cases. (C) 2011 American Institute of Physics. [doi:10.1063/1.3600623] C1 [Qin, Hong; Davidson, Ronald C.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Qin, Hong] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. RP Qin, H (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. FU U.S. Department of Energy [DE-AC02-09CH11466]; National Natural Science Foundation of China [NSFC-11075162] FX This research was supported by the U.S. Department of Energy (DE-AC02-09CH11466) and the National Natural Science Foundation of China (NSFC-11075162). NR 23 TC 0 Z9 0 U1 0 U2 4 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 J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2011 VL 18 IS 8 AR 084502 DI 10.1063/1.3600623 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400086 ER PT J AU Schroeder, CB Benedetti, C Esarey, E van Tilborg, J Leemans, WP AF Schroeder, C. B. Benedetti, C. Esarey, E. van Tilborg, J. Leemans, W. P. TI Group velocity and pulse lengthening of mismatched laser pulses in plasma channels SO PHYSICS OF PLASMAS LA English DT Article ID WAVE-GUIDE; ACCELERATORS; INTENSE AB Analytic solutions are presented to the non-paraxial wave equation describing an ultra-short, low-power, laser pulse propagating in a plasma channel. Expressions for the laser pulse centroid motion and laser group velocity are derived, valid for matched and mismatched propagation in a parabolic plasma channel, as well as in vacuum, for an arbitrary Laguerre-Gaussian laser mode. The group velocity of a mismatched laser pulse, for which the laser spot size is strongly oscillating, is found to be independent of propagation distance and significantly less than that of a matched pulse. Laser pulse lengthening of a mismatched pulse owing to laser mode slippage is examined and found to dominate over that due to dispersive pulse spreading for sufficiently long pulses. Analytic results are shown to be in excellent agreement with numerical solutions of the full Maxwell equations coupled to the plasma response. Implications for plasma channel diagnostics are discussed. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3609778] C1 [Schroeder, C. B.; Benedetti, C.; Esarey, E.; van Tilborg, J.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Schroeder, CB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. OI Schroeder, Carl/0000-0002-9610-0166 FU Office of Science, Office of High Energy Physics, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 26 TC 15 Z9 16 U1 3 U2 11 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 AUG PY 2011 VL 18 IS 8 AR 083103 DI 10.1063/1.3609778 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400054 ER PT J AU Shiraiwa, S Ko, J Meneghini, O Parker, R Schmidt, AE Scott, S Greenwald, M Hubbard, AE Hughes, J Ma, Y Podpaly, Y Rice, JE Wallace, G Wilson, JR Wolfe, SM AF Shiraiwa, S. Ko, J. Meneghini, O. Parker, R. Schmidt, A. E. Scott, S. Greenwald, M. Hubbard, A. E. Hughes, J. Ma, Y. Podpaly, Y. Rice, J. E. Wallace, G. Wilson, J. R. Wolfe, S. M. CA Alcator C-Mod Grp TI Full wave effects on the lower hybrid wave spectrum and driven current profile in tokamak plasmas SO PHYSICS OF PLASMAS LA English DT Article DE Fokker-Planck equation; plasma electrostatic waves; plasma hybrid waves; plasma kinetic theory; plasma magnetohydrodynamics; plasma simulation; plasma toroidal confinement; ray tracing; Tokamak devices ID RANGE AB A numerical modeling of current profile modification by lower hybrid current drive (LHCD) using a fullwave/Fokker-Planck simulation code is presented. A MHD stable LHCD discharge on Alcator C-Mod was analyzed, and the current profile from full wave simulations was found to show better agreement with the experiment than a ray-tracing code. Comparison of full wave and ray-tracing simulation shows that, although ray-tracing can reproduce the stochastic wave spectrum broadening, the full wave calculation predicts even wider spectrum broadening, and the wave spectrum fills all of the kinematically allowed domain. This is the first demonstration of LHCD current profile modeling using a full wave simulation code in a multi-pass absorption regime, showing the clear impact of full wave effects on the LHCD driven current profile. (C) 2011 American Institute of Physics. [doi:10.1063/1.3609835] C1 [Shiraiwa, S.; Ko, J.; Meneghini, O.; Parker, R.; Schmidt, A. E.; Greenwald, M.; Hubbard, A. E.; Hughes, J.; Ma, Y.; Podpaly, Y.; Rice, J. E.; Wallace, G.; Wolfe, S. M.; Alcator C-Mod Grp] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Scott, S.; Wilson, J. R.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Shiraiwa, S (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. OI Greenwald, Martin/0000-0002-4438-729X FU US DoE [DE-FC02-99ER54512, DE-AC02-76CH03073, DE-AC02-05CH11231] FX Authors (S.S. and O.M.) appreciate useful discussions with Dr. P. Bonoli and Dr. J. C. Wright. Work supported by US DoE Award Nos. DE-FC02-99ER54512, DE-AC02-76CH03073, and DE-AC02-05CH11231. NR 33 TC 23 Z9 23 U1 2 U2 10 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 AUG PY 2011 VL 18 IS 8 AR 080705 DI 10.1063/1.3609835 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400005 ER PT J AU Wang, G Peebles, WA Rhodes, TL DeBoo, JC Staebler, GM Hillesheim, JC Yan, Z McKee, GR Petty, CC Solomon, WM Burrell, KH Doyle, EJ Leonard, AW Schmitz, L VanZeeland, MA White, AE Zeng, L AF Wang, G. Peebles, W. A. Rhodes, T. L. DeBoo, J. C. Staebler, G. M. Hillesheim, J. C. Yan, Z. McKee, G. R. Petty, C. C. Solomon, W. M. Burrell, K. H. Doyle, E. J. Leonard, A. W. Schmitz, L. VanZeeland, M. A. White, A. E. Zeng, L. TI Multi-field/multi-scale turbulence response to electron cyclotron heating of DIII-D ohmic plasmas SO PHYSICS OF PLASMAS LA English DT Article DE plasma density; plasma fluctuations; plasma instability; plasma radiofrequency heating; plasma simulation; plasma temperature; plasma toroidal confinement; plasma transport processes; plasma turbulence; Tokamak devices ID ASDEX UPGRADE; PARTICLE-TRANSPORT; D TOKAMAK; RATIO; ION AB The multi-field/multi-scale core (rho similar to 0.5-0.8) turbulence response to electron cyclotron heating (ECH) of DIII-D Ohmic plasmas is reported for the first time. Long wavelength (low-k) electron temperature (<(T)over tilde(e)/T(e)) and high-k density turbulence levels (<(n)over tilde>(e)/n(e)) are observed to strongly increase during ECH. In contrast, low-k and intermediate-k (n) over tilde (e)/n(e) showed little change, whereas the cross-phase between local low-k electron temperature and density fluctuations (alpha(ne)T(e)) was significantly modified. The increase in the electron thermal diffusivity determined from power balance is consistent with the increased turbulent transport correlated with the measured increases in low-k <(T)over tilde(e)/T(e) and high-k <(n)over tilde>(e)/n(e). Linear stability analysis using the trapped gyro-Landau fluid (TGLF) model indicates an enhanced growth rate for electron modes [e.g., trapped electron mode (TEM)] at low-k consistent with the observed modifications in <(T)over tilde(e)/T(e) and alpha(ne)T(e). TGLF also predicts an increase in high-k electron mode growth rates for normalized wavenumbers k(theta)rho(s) > 7, where electron temperature gradient (ETG) modes exist, which is consistent with the observed increase in high-k<(n)over tilde(e)/n(e) turbulence. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3610552] C1 [Wang, G.; Peebles, W. A.; Rhodes, T. L.; Hillesheim, J. C.; Doyle, E. J.; Schmitz, L.; Zeng, L.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Wang, G.; Peebles, W. A.; Rhodes, T. L.; Hillesheim, J. C.; Doyle, E. J.; Schmitz, L.; Zeng, L.] Univ Calif Los Angeles, PSTI, Los Angeles, CA 90095 USA. [DeBoo, J. C.; Staebler, G. M.; Petty, C. C.; Burrell, K. H.; Leonard, A. W.; VanZeeland, M. A.] Gen Atom Co, San Diego, CA 92186 USA. [Yan, Z.; McKee, G. R.] Univ Wisconsin, Madison, WI 53706 USA. [Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [White, A. E.] MIT, Cambridge, MA 02139 USA. RP Wang, G (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RI White, Anne/B-8990-2011; OI Solomon, Wayne/0000-0002-0902-9876 FU U.S. Department of Energy [DE-FG02-08ER54984, DE-FC02-04ER54698, DE-FG02-89ER53296, DE-FG02-08ER54999, DE-AC02-09CH11466, DE-FC02-93ER54186] FX This work supported by the U.S. Department of Energy under DE-FG02-08ER54984, DE-FC02-04ER54698, DE-FG02-89ER53296, DE-FG02-08ER54999, DE-AC02-09CH11466, and DE-FC02-93ER54186. NR 36 TC 2 Z9 2 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 J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2011 VL 18 IS 8 AR 082504 DI 10.1063/1.3610552 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400031 ER PT J AU Yu, TP Pukhov, A Shvets, G Chen, M Ratliff, TH Yi, SA Khudik, V AF Yu, T. P. Pukhov, A. Shvets, G. Chen, M. Ratliff, T. H. Yi, S. A. Khudik, V. TI Simulations of stable compact proton beam acceleration from a two-ion-species ultrathin foil (vol 18, 043110, 2011) SO PHYSICS OF PLASMAS LA English DT Correction DE plasma light propagation; plasma production by laser; plasma simulation; plasma transport processes; radiation pressure C1 [Yu, T. P.; Pukhov, A.; Chen, M.] Univ Dusseldorf, Inst Theoret Phys 1, D-40225 Dusseldorf, Germany. [Yu, T. P.] Natl Univ Def Technol, Dept Phys, Changsha 410073, Hunan, Peoples R China. [Shvets, G.; Ratliff, T. H.; Yi, S. A.; Khudik, V.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Chen, M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Accelerator & Fus Res, Berkeley, CA 94720 USA. RP Yu, TP (reprint author), Univ Dusseldorf, Inst Theoret Phys 1, D-40225 Dusseldorf, Germany. EM Tongpu.Yu@tp1.uni-duesseldorf.de; pukhov@tp1.uni-duesseldorf.de; gena@physics.utexas.edu RI Chen, Min/A-9955-2010; Yu, Tong-Pu/A-2360-2011; pukhov, alexander/C-8082-2016 OI Chen, Min/0000-0002-4290-9330; NR 1 TC 0 Z9 0 U1 0 U2 6 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 J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2011 VL 18 IS 8 AR 089903 DI 10.1063/1.3630955 PG 1 WC Physics, Fluids & Plasmas SC Physics GA 814VX UT WOS:000294486400099 ER PT J AU Preston, CM Harris, A Ryan, JP Roman, B Marin, R Jensen, S Everlove, C Birch, J Dzenitis, JM Pargett, D Adachi, M Turk, K Zehr, JP Scholin, CA AF Preston, Christina M. Harris, Adeline Ryan, John P. Roman, Brent Marin, Roman, III Jensen, Scott Everlove, Cheri Birch, James Dzenitis, John M. Pargett, Douglas Adachi, Masao Turk, Kendra Zehr, Jonathon P. Scholin, Christopher A. TI Underwater Application of Quantitative PCR on an Ocean Mooring SO PLOS ONE LA English DT Article ID POLYMERASE-CHAIN-REACTION; AUTOMATED DNA PURIFICATION; SAMPLE PROCESSOR ESP; RNA-TARGETED PROBES; RIBOSOMAL-RNA; MONTEREY BAY; MARINE BACTERIOPLANKTON; AUTONOMOUS DETECTION; MOLECULAR-DETECTION; PATHOGEN DETECTION AB The Environmental Sample Processor (ESP) is a device that allows for the underwater, autonomous application of DNA and protein probe array technologies as a means to remotely identify and quantify, in situ, marine microorganisms and substances they produce. Here, we added functionality to the ESP through the development and incorporation of a module capable of solid-phase nucleic acid extraction and quantitative PCR (qPCR). Samples collected by the instrument were homogenized in a chaotropic buffer compatible with direct detection of ribosomal RNA (rRNA) and nucleic acid purification. From a single sample, both an rRNA community profile and select gene abundances were ascertained. To illustrate this functionality, we focused on bacterioplankton commonly found along the central coast of California and that are known to vary in accordance with different oceanic conditions. DNA probe arrays targeting rRNA revealed the presence of 16S rRNA indicative of marine crenarchaea, SAR11 and marine cyanobacteria; in parallel, qPCR was used to detect 16S rRNA genes from the former two groups and the large subunit RuBisCo gene (rbcL) from Synecchococcus. The PCR-enabled ESP was deployed on a coastal mooring in Monterey Bay for 28 days during the spring-summer upwelling season. The distributions of the targeted bacterioplankon groups were as expected, with the exception of an increase in abundance of marine crenarchaea in anomalous nitrate-rich, low-salinity waters. The unexpected co-occurrence demonstrated the utility of the ESP in detecting novel events relative to previously described distributions of particular bacterioplankton groups. The ESP can easily be configured to detect and enumerate genes and gene products from a wide range of organisms. This study demonstrated for the first time that gene abundances could be assessed autonomously, underwater in near real-time and referenced against prevailing chemical, physical and bulk biological conditions. C1 [Preston, Christina M.; Harris, Adeline; Ryan, John P.; Roman, Brent; Marin, Roman, III; Jensen, Scott; Everlove, Cheri; Birch, James; Pargett, Douglas; Scholin, Christopher A.] Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA. [Dzenitis, John M.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Adachi, Masao] Kochi Univ, Lab Aquat Environm Sci, Kochi 780, Japan. [Turk, Kendra; Zehr, Jonathon P.] Univ Calif Santa Cruz, Dept Ocean Sci & Earth & Marine Sci, Santa Cruz, CA 95064 USA. RP Preston, CM (reprint author), Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA. EM preston@mbari.org RI Zehr, Jonathan/B-3513-2014 OI Zehr, Jonathan/0000-0002-5691-5408 FU David and Lucille Packard Foundation; MBARI; NSF [OCE-0314222, EF-0424599]; Gordon and Betty Moore Foundation [ERG731]; NASA Astrobiology [NNG06GB34G, NNX09AB78G]; Microbial Environmental, Genomics, Application, Modeling, Experimental, Remote sensing (MEGAMER) facility FX This work was supported in part by grants from the David and Lucille Packard Foundation allocated by the MBARI (CAS), NSF (OCE-0314222 and EF-0424599 to CAS) Gordon and Betty Moore Foundation (JPZ and ERG731 to CAS), NASA Astrobiology (NNG06GB34G and NNX09AB78G to CAS), and Microbial Environmental, Genomics, Application, Modeling, Experimental, Remote sensing (MEGAMER) facility (JPZ). No additional external funding was received for this study. This is LLNL manuscript number LLNL-JRNL-480573. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 58 TC 27 Z9 27 U1 6 U2 44 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD AUG 1 PY 2011 VL 6 IS 8 AR e22522 DI 10.1371/journal.pone.0022522 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 802LA UT WOS:000293511200011 PM 21829630 ER PT J AU Stisova, V Abele, WH Thompson, KH Bennett, PV Sutherland, BM AF Stisova, Viktorie Abele, William H. Thompson, Keith H. Bennett, Paula V. Sutherland, Betsy M. TI Response of Primary Human Fibroblasts Exposed to Solar Particle Event Protons SO RADIATION RESEARCH LA English DT Article ID TRANSFORMATION IN-VITRO; ANCHORAGE-INDEPENDENT GROWTH; DOSE-RATE; NEOPLASTIC TRANSFORMATION; IONIZING-RADIATION; MAMMALIAN-CELLS; DNA-DAMAGE; GAMMA-RAYS; EXPOSURES; SPACE AB Stisova, V., Abele, W. H., Thompson, K. H., Bennett, P. V. and Sutherland, B. M. Response of Primary Human Fibroblasts Exposed to Solar Particle Event Protons. Radiat. Res. 176, 217-225 (2011). Solar particle events (SPEs) present a major radiation-related risk for manned exploratory missions in deep space. Within a short period the astronauts may absorb doses that engender acute effects, in addition to the risk of late effects, such as the induction of cancer. Using primary human cells, we studied clonogenic survival and the induction of neoplastic transformation after exposure to a worst case scenario SPE. We simulated such an SPE with monoenergetic protons (50, 100, 1000 MeV) delivered at a dose rate of 1.65 cGy min(-1) in a dose range from 0 to 3 Gy. For comparison, we exposed the cells to a high dose rate of 33.3 cGy min(-1). X rays (100 kVp, 8 mA, 1.7 mm Al filter) were used as a reference radiation. Overall, we observed a significant sparing effect of the SPE dose rate on cell survival. High-dose-rate protons were also more efficient in induction of transformation in the dose range below 30 cGy. However, as dose accumulated at high dose rate, the transformation levels declined, while at the SPE dose rate, the number of transformants continued to increase up to about 1 Gy. These findings suggest that considering dose-rate effects may be important in evaluating the biological effects of exposure to space radiation. Our analyses of the data based on particle fluence showed that lethality and transforming potential per particle clearly increased with increasing linear energy transfer (LET) and thus with the decreasing energy of protons. Further, we found that the biological response was determined not only by LET but also type of radiation, e.g. particles and photons. This suggests that using gamma or X rays may not be ideal for assessing risk associated with SPE exposures. (C) 2011 by Radiation Research Society C1 [Stisova, Viktorie; Abele, William H.; Thompson, Keith H.; Bennett, Paula V.; Sutherland, Betsy M.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Stisova, V (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM viktorie.stisova@gmail.com FU NASA [NNJ07HC731]; U.S. Department of Energy [BO-089] FX This research was supported by grants from the Human Research Program of the Exploration Systems Mission Directorate of the NASA (NNJ07HC731) and the Low Radiation Dose Program of the U.S. Department of Energy (BO-089) to Betsy M. Sutherland. We thank Drs. Adam Rusek, Michael Sivertz, and I-Hung Chiang from the NSRL for dosimetry and development of the low fluence beam. We acknowledge Drs. Deborah Keszenman, Mamta Naidu and Stefan Tafrov and Mr. James Jardine for supporting our experiments. We also thank Drs. Deborah Keszenman and Stefan Tafrov for their critical reading of the manuscript and Dr. Avril Woodhead for her editorial assistance. We wish to dedicate this work to the memory of Dr. Betsy M. Sutherland. NR 45 TC 4 Z9 4 U1 0 U2 0 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD AUG PY 2011 VL 176 IS 2 BP 217 EP 225 DI 10.1667/RR2490.1 PG 9 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 804VM UT WOS:000293682100008 PM 21557667 ER PT J AU Boice, JD Cohen, SS Mumma, MT Ellis, ED Eckerman, KF Leggett, RW Boecker, BB Brill, AB Henderson, BE AF Boice, John D., Jr. Cohen, Sarah S. Mumma, Michael T. Ellis, Elizabeth Dupree Eckerman, Keith F. Leggett, Richard W. Boecker, Bruce B. Brill, A. Bertrand Henderson, Brian E. TI Updated Mortality Analysis of Radiation Workers at Rocketdyne (Atomics International), 1948-2008 SO RADIATION RESEARCH LA English DT Article ID LUNG-CANCER RISK; CHEMICAL TOXICITY; BIOKINETIC MODEL; URANIUM; COHORT; EXPOSURE; UNCERTAINTIES; BEHAVIOR; INDUSTRY; RATES AB Boice, J. D., Jr., Cohen, S. S., Mumma, M. T., Ellis, E. D., Eckerman, K. F., Leggett, R. W., Boecker, B. B., Brill, A. B. and Henderson, B. E. Updated Mortality Analysis of Radiation Workers at Rocketdyne (Atomics International), 1948-2008. Radiat. Res. 176, 244-258 (2011). Updated analyses of mortality data are presented on 46,970 workers employed 1948-1999 at Rocketdyne (Atomics International). Overall, 5,801 workers were involved in radiation activities, including 2,232 who were monitored for intakes of radionuclides, and 41,169 workers were engaged in rocket testing or other non-radiation activities. The worker population is unique in that lifetime occupational doses from all places of employment were sought, updated and incorporated into the analyses. Further, radiation doses from intakes of 14 different radionuclides were calculated for 16 organs or tissues using biokinetic models of the International Commission on Radiation Protection (ICRP). Because only negligible exposures were received by the 247 workers monitored for radiation activities after 1999, the mean dose from external radiation remained essentially the same at 13.5 mSv (maximum 1 Sv) as reported previously, as did the mean lung dose from external and internal radiation combined at 19.0 mSv (maximum 3.6 Sv). An additional 9 years of follow-up, from December 31,1999 through 2008, increased the person-years of observation for the radiation workers by 21.7% to 196,674 (mean 33.9 years) and the number of cancer deaths by 50% to 684. Analyses included external comparisons with the general population and the computation of standardized mortality ratios (SMRs) and internal comparisons using proportional hazards models and the computation of relative risks (RRs). A low SMR for all causes of death (SMR 0.82; 95% CI 0.78-0.85) continued to indicate that the Rocketdyne radiation workers were healthier than the general population and were less likely to die. The SMRs for all cancers taken together (SMR 0.88; 95% CI 0.81-0.95), lung cancer (SMR 0.87; 95% CI 0.76-1.00) and leukemia other than chronic lymphocytic leukemia (CLL) (SMR 1.04; 95% 0.67-1.53) were not significantly elevated. Cox regression analyses revealed no significant dose-response trends for any cancer. For all cancers excluding leukemia, the RR at 100 mSv was estimated as 0.98 (95% CI 0.82-1.17), and for all leukemia other than CLL it was 1.06 (95% CI 0.50-2.23). Uranium was the primary radionuclide contributing to internal exposures, but no significant increases in lung and kidney disease were seen. The extended follow-up reinforces the findings in the previous study in failing to observe a detectable increase in cancer deaths associated with radiation, but strong conclusions still cannot be drawn because of small numbers and relatively low career doses. Larger combined studies of early workers in the United States using similar methodologies are warranted to refine and clarify radiation risks after protracted exposures. (C) 2011 by Radiation Research Society C1 [Boice, John D., Jr.; Cohen, Sarah S.; Mumma, Michael T.] Int Epidemiol Inst, Rockville, MD 20850 USA. [Boice, John D., Jr.; Brill, A. Bertrand] Vanderbilt Univ, Sch Med, Nashville, TN 37212 USA. [Boice, John D., Jr.; Brill, A. Bertrand] Vanderbilt Ingram Canc Ctr, Nashville, TN 37212 USA. [Ellis, Elizabeth Dupree] Oak Ridge Associated Univ, Oak Ridge, TN USA. [Eckerman, Keith F.; Leggett, Richard W.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Boecker, Bruce B.] Lovelace Resp Res Inst, Albuquerque, NM USA. [Henderson, Brian E.] Univ So Calif, Los Angeles, CA USA. RP Boice, JD (reprint author), Int Epidemiol Inst, 1455 Res Blvd,Suite 550, Rockville, MD 20850 USA. EM john.boice@vanderbilt.edu RI Brill, Aaron/H-3732-2014 OI Brill, Aaron/0000-0001-7538-086X FU Vanderbilt-Ingram Cancer Center [404-357-9682]; U.S. Department of Energy [DE-SC0004307, DE-AC05-06OR23100]; Oak Ridge Associated Universities [DE-AC05-06OR23100]; DOE [DE-AC05- 000R22750] FX The extended follow-up was funded by a Discovery Grant from the Vanderbilt-Ingram Cancer Center (Center no. 404-357-9682), a research grant from the U.S. Department of Energy (Grant no. DE-SC0004307), and a contract between the U.S. Department of Energy and Oak Ridge Associated Universities (Contract no. DE-AC05-06OR23100). The initial study was supported in part by a competitive contract from The Boeing Company and was conducted with cooperation from the UAW (United Automobile, Aerospace and Agricultural Implement Workers of America) and from Oak Ridge Institute for Science and Education (ORISE) through an interagency agreement with the U.S. Department of Energy (DOE). ORISE is managed by Oak Ridge Associated Universities under DOE contract number DE-AC05- 000R22750. We thank again the contributors to the initial study: the Department of Energy (Ms. Nimi Rao), the Nuclear Regulatory Commission (Ms. Rosemary Hogan and Ms. Sheryl Burrows), SAIC (Mr. Derek A. Hagemeyer, now with ORISE), the U.S. Army Radiation Standards and Dosimetry Laboratory (William S. Harris, Jr., CHP) and the U.S. Air Force Radiation Surveillance Division, Air Force Institute for Operational Health (Gerald Achenbach and Mike Klueber) for providing linkages with their respective dosimetry files. We acknowledge again the helpful advice provided during the initial study by Ms. Barbara Brooks (former CEDR Program Coordinator, DOE), Mrs. Judy McLaughlin (Rocketdyne, The Boeing Company), and James G. Barnes, CHP (Radiation Safety Office, Rocketdyne, The Boeing Company). The contributions and guidance provided previously by the Rocketdyne Worker Health Science Committee are also gratefully acknowledged: Dr. John Peters (deceased, University of Southern California, Chairman), Dr. Scott Davis (University of Washington), Dr. John Dement (Duke University), Dr. Karl Kelsey (Harvard School of Public Health, now at Brown University), Dr. Jack Siemiatycki (University of Montreal), and Dr. Laura Welch (George Washington University). The results presented herein represent the conclusions and opinions solely of the authors. Their publication does not imply endorsement by The Boeing Company, the UAW, Vanderbilt University or any of the acknowledged agencies or persons. NR 37 TC 15 Z9 15 U1 1 U2 4 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD AUG PY 2011 VL 176 IS 2 BP 244 EP 258 DI 10.1667/RR2487.1 PG 15 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 804VM UT WOS:000293682100011 PM 21381866 ER PT J AU Ehlers, G Podlesnyak, AA Niedziela, JL Iverson, EB Sokol, PE AF Ehlers, G. Podlesnyak, A. A. Niedziela, J. L. Iverson, E. B. Sokol, P. E. TI The new cold neutron chopper spectrometer at the Spallation Neutron Source: Design and performance SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID OF-FLIGHT SPECTROMETER; FREQUENCIES; MAGNESIUM AB The design and performance of the new cold neutron chopper spectrometer (CNCS) at the Spallation Neutron Source in Oak Ridge are described. CNCS is a direct-geometry inelastic time-of-flight spectrometer, designed essentially to cover the same energy and momentum transfer ranges as IN5 at ILL, LET at ISIS, DCS at NIST, TOFTOF at FRM-II, AMATERAS at J-PARC, PHAROS at LANSCE, and NEAT at HZB, at similar energy resolution. Measured values of key figures such as neutron flux at sample position and energy resolution are compared between measurements and ray tracing Monte Carlo simulations, and good agreement (better than 20% of absolute numbers) has been achieved. The instrument performs very well in the cold and thermal neutron energy ranges, and promises to become a workhorse for the neutron scattering community for quasielastic and inelastic scattering experiments. (C) 2011 American Institute of Physics. [doi:10.1063/1.3626935] C1 [Ehlers, G.; Podlesnyak, A. A.; Niedziela, J. L.; Iverson, E. B.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Sokol, P. E.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. RP Ehlers, G (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RI Instrument, CNCS/B-4599-2012; Podlesnyak, Andrey/A-5593-2013; Ehlers, Georg/B-5412-2008; OI Podlesnyak, Andrey/0000-0001-9366-6319; Ehlers, Georg/0000-0003-3513-508X; Iverson, Erik /0000-0002-7920-705X FU (U.S.) Department of Energy (DOE) [DE-FG02-01ER45912]; Scientific User Facilities Division, Office of Basic Energy Sciences, DOE FX The following people have made significant contributions to the planning, design, or construction of CNCS: M. C. Aronson, T. L. Arthur, W. B. Bailey, A. Barzilov, D. A. Bunch, S. M. Chae, S. H. Chen, R. W. Connatser, J. Cook, R. G. Cooper, R. K. Crawford, R. A. Dean, R. Dimeo, W. R. Fox, F. X. Gallmeier, M. H. Gevers, G. E. Granroth, G. C. Greene, W. M. McHargue, L. L. Jacobs, G. H. Jones, W. S. Keener, J. Morgan, D. Narehood, N. Page, A. A. Parizzi, J. Pearce, D. B. Prieto, F. S. Proffitt, R. A. Riedel, S. M. Rogers, C. A. Schnell, J. L. Stockton, H. Strauss, H. Taub, B. M. Thibadeau, D. M. Williams, F. R. Williams, and P. A. Wright. Construction of CNCS was funded by (U.S.) Department of Energy (DOE) grant (Grant No. DE-FG02-01ER45912). Research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, DOE. NR 19 TC 88 Z9 88 U1 1 U2 29 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2011 VL 82 IS 8 AR 085108 DI 10.1063/1.3626935 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 814VZ UT WOS:000294486600051 PM 21895276 ER PT J AU Mamontov, E Herwig, KW AF Mamontov, E. Herwig, K. W. TI A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID RESOLUTION; PERFORMANCE; ANALYZERS; DESIGN; IRIS AB We describe the design and current performance of the backscattering silicon spectrometer (BASIS), a time-of-flight backscattering spectrometer built at the spallation neutron source (SNS) of the Oak Ridge National Laboratory (ORNL). BASIS is the first silicon-based backscattering spectrometer installed at a spallation neutron source. In addition to high intensity, it offers a high-energy resolution of about 3.5 mu eV and a large and variable energy transfer range. These ensure an excellent overlap with the dynamic ranges accessible at other inelastic spectrometers at the SNS. (C) 2011 American Institute of Physics. [doi:10.1063/1.3626214] C1 [Mamontov, E.; Herwig, K. W.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Mamontov, E (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM mamontove@ornl.gov RI Herwig, Kenneth/F-4787-2011; Mamontov, Eugene/Q-1003-2015 OI Mamontov, Eugene/0000-0002-5684-2675 FU Scientific User Facilities Division, Office of Basic Energy Sciences, (U.S.) Department of Energy (DOE) FX The design, construction, and commissioning of the BASIS have been the result of efforts of many scientists, engineers, technicians, programmers, and other personnel at the ORNL's Spallation Neutron Source. The authors are deeply thankful to all those who contributed to the successful construction and operation of the spectrometer. We are grateful to M. Hagen and M. Zamponi for fruitful discussions. The operation and user program at the SNS is supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, (U.S.) Department of Energy (DOE). NR 14 TC 114 Z9 115 U1 3 U2 26 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2011 VL 82 IS 8 AR 085109 DI 10.1063/1.3626214 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 814VZ UT WOS:000294486600052 PM 21895277 ER PT J AU Maser, D Pandey, S Ring, H Ledbetter, MP Knappe, S Kitching, J Budker, D AF Maser, D. Pandey, S. Ring, H. Ledbetter, M. P. Knappe, S. Kitching, J. Budker, D. TI Note: Detection of a single cobalt microparticle with a microfabricated atomic magnetometer SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NANOPARTICLES; RESOLUTION AB We present magnetic detection of a single, 2 mu m diameter cobalt microparticle using an atomic magnetometer based on a microfabricated vapor cell. These results represent an improvement by a factor of 10(5) in terms of the detected magnetic moment over previous work using atomic magnetometers to detect magnetic microparticles. The improved sensitivity is due largely to the use of small vapor cells. In an optimized setup, we predict detection limits of 0.17 mu m(3). (C) 2011 American Institute of Physics. [doi:10.1063/1.3626505] C1 [Maser, D.; Pandey, S.; Ledbetter, M. P.; Budker, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ring, H.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Knappe, S.; Kitching, J.] NIST, Div Time & Frequency, Boulder, CO 80305 USA. [Knappe, S.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Budker, D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Maser, D (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM dmaser@berkeley.edu RI Budker, Dmitry/F-7580-2016 OI Budker, Dmitry/0000-0002-7356-4814 FU (U.S.) Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231]; National Science Foundation (NSF) [CHE-0957655]; National Institute of Standards and Technology (NIST) FX Research was supported by the (U.S.) Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-05CH11231 (H. R.), by the National Science Foundation (NSF) under Award No. CHE-0957655 (D. M., D. B., and M. P. L.), and by the National Institute of Standards and Technology (NIST) (S. K. and J.K.). We gratefully acknowledge discussions with S. Xu and L. S. Bouchard. This work is a partial contribution of NIST, an agency of the US government, and is not subject to copyright. NR 14 TC 10 Z9 10 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 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2011 VL 82 IS 8 AR 086112 DI 10.1063/1.3626505 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 814VZ UT WOS:000294486600065 PM 21895290 ER PT J AU Reese, MO Dameron, AA Kempe, MD AF Reese, Matthew O. Dameron, Arrelaine A. Kempe, Michael D. TI Quantitative calcium resistivity based method for accurate and scalable water vapor transmission rate measurement SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID PERMEATION; OXIDATION; METAL AB The development of flexible organic light emitting diode displays and flexible thin film photovoltaic devices is dependent on the use of flexible, low-cost, optically transparent and durable barriers to moisture and/or oxygen. It is estimated that this will require high moisture barriers with water vapor transmission rates (WVTR) between 10(-4) and 10(-6) g/m(2)/day. Thus there is a need to develop a relatively fast, low-cost, and quantitative method to evaluate such low permeation rates. Here, we demonstrate a method where the resistance changes of patterned Ca films, upon reaction with moisture, enable one to calculate a WVTR between 10 and 10(-6) g/m(2)/day or better. Samples are configured with variable aperture size such that the sensitivity and/or measurement time of the experiment can be controlled. The samples are connected to a data acquisition system by means of individual signal cables permitting samples to be tested under a variety of conditions in multiple environmental chambers. An edge card connector is used to connect samples to the measurement wires enabling easy switching of samples in and out of test. This measurement method can be conducted with as little as 1 h of labor time per sample. Furthermore, multiple samples can be measured in parallel, making this an inexpensive and high volume method for measuring high moisture barriers. (C) 2011 American Institute of Physics. [doi:10.1063/1.3606644] C1 [Reese, Matthew O.; Dameron, Arrelaine A.; Kempe, Michael D.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Reese, MO (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM matthew.reese@nrel.gov FU U.S. Department of Energy (DOE) [DOE-AC36-08GO28308]; National Renewable Energy Laboratory FX The authors acknowledge Anna Duda and Calvin Curtis for thin film deposition during test card fabrication, as well as Thomas Moricone and Joshua Martin for help with instrumental construction. Jeremy Bergeson and Matthew Lloyd also reviewed the manuscript. This work was supported by the U.S. Department of Energy (DOE) under Contract No. DOE-AC36-08GO28308 with the National Renewable Energy Laboratory. NR 26 TC 36 Z9 36 U1 0 U2 31 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2011 VL 82 IS 8 AR 085101 DI 10.1063/1.3606644 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 814VZ UT WOS:000294486600044 PM 21895269 ER PT J AU Shimada, M Kolasinski, RD Sharpe, JP Causey, RA AF Shimada, Masashi Kolasinski, Robert D. Sharpe, J. Phillip Causey, Rion A. TI Tritium plasma experiment: Parameters and potentials for fusion plasma-wall interaction studies SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID RETENTION; BERYLLIUM; BEHAVIOR; EROSION; FUTURE AB The tritium plasma experiment (TPE) is a unique facility devoted to experiments on the behavior of deuterium/tritium in toxic (e. g., beryllium) and radioactive materials for fusion plasma-wall interaction studies. A Langmuir probe was added to the system to characterize the plasma conditions in TPE. With this new diagnostic, we found the achievable electron temperature ranged from 5.0 to 10.0 eV, the electron density varied from 5.0 x 10(16) to 2.5 x 10(18) m(-3), and the ion flux density varied between 5.0 x 10(20) to 2.5 x 10(22) m(-2) s(-1) along the centerline of the plasma. A comparison of these plasma parameters with the conditions expected for the plasma facing components (PFCs) in ITER shows that TPE is capable of achieving most (similar to 800 m(2) of 850 m(2) total PFCs area) of the expected ion flux density and electron density conditions. (C) 2011 American Institute of Physics. [doi:10.1063/1.3627609] C1 [Shimada, Masashi; Sharpe, J. Phillip] Fus Safety Program, Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Kolasinski, Robert D.; Causey, Rion A.] Sandia Natl Labs, Hydrogen & Met Sci Dept, Livermore, CA 94551 USA. RP Shimada, M (reprint author), Fus Safety Program, Idaho Natl Lab, Idaho Falls, ID 83415 USA. OI Shimada, Masashi/0000-0002-1592-843X FU U.S. Department of Energy, Office of Fusion Energy Sciences, under the DOE Idaho Field Office [DE-AC07-05ID14517]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The author is grateful to the STAR technical staff members, Stan Schuetz, Robert Pawelko, Ed Waters, Shayne Loftus, and Byron Denny for their professional skills, as well as their technical, radiological, and safety support. Suggestions and help from Dr. Dean Buchenauer (Sandia Laboratories) are greatly acknowledged. This work was prepared for the U.S. Department of Energy, Office of Fusion Energy Sciences, under the DOE Idaho Field Office Contract No. DE-AC07-05ID14517. Sandia is multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 20 TC 8 Z9 8 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2011 VL 82 IS 8 AR 083503 DI 10.1063/1.3627609 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 814VZ UT WOS:000294486600019 PM 21895244 ER PT J AU Yang, F Kaplonski, J Unruh, T Mamontov, E Meyer, A AF Yang, F. Kaplonski, J. Unruh, T. Mamontov, E. Meyer, A. TI A high temperature high pressure cell for quasielastic neutron scattering SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SILICATE MELTS; DIFFRACTION; RELAXATION AB We present our recent development of a high temperature high pressure cell for neutron scattering. Combining a water cooled Nb1Zr pressure cell body with an internal heating furnace, the sample environment can reach temperatures of up to 1500 K at a pressure of up to 200 MPa at the sample position, with an available sample volume of about 700 mm(3). The cell material Nb1Zr is specifically chosen due to its reasonable mechanical strength at elevated temperatures and fairly small neutron absorption and incoherent scattering cross sections. With this design, an acceptable signal-to-noise ratio of about 10:1 can be achieved. This opens new possibilities for quasielastic neutron scattering studies on different types of neutron spectrometers under high temperature high pressure conditions, which is particularly interesting for geological research on, e.g., water dynamics in silicate melts. (C) 2011 American Institute of Physics. [doi:10.1063/1.3623796] C1 [Yang, F.; Meyer, A.] Deutsch Zentrum Luft & Raumfahrt DLR, Inst Mat Phy Weltraum, D-51170 Cologne, Germany. [Yang, F.; Kaplonski, J.; Meyer, A.] Tech Univ Munich, Phys Dept E13, D-85748 Garching, Germany. [Unruh, T.] Tech Univ Munich, Forsch Neutronenquelle Heinz Maier Leibnitz FRM 2, D-85748 Garching, Germany. [Mamontov, E.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Yang, F (reprint author), Deutsch Zentrum Luft & Raumfahrt DLR, Inst Mat Phy Weltraum, D-51170 Cologne, Germany. EM andreas.meyer@dlr.de RI Unruh, Tobias/C-8946-2013; Meyer, Andreas/F-6260-2013; Mamontov, Eugene/Q-1003-2015; OI Mamontov, Eugene/0000-0002-5684-2675; Yang, Fan/0000-0001-5281-2957 FU Scientific User Facilities Division, Office of Basic Energy Sciences, (U.S.) Department of Energy (DOE); Deutsche Forschungsgemeinschaft (DFG) [Me1958/8-1, 2, PE580/8-3] FX We thank the sample environment group at FRM II for their help during setting up of the pressure apparatus on the instruments TOFTOF. We thank S. Stuber and I. Pommrich for their support during the experiments at FRM II, F. Kargl for reading the manuscript. The measurement at ORNL's SNS was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, (U.S.) Department of Energy (DOE). The financial support from Deutsche Forschungsgemeinschaft (DFG) under Grant Nos. Me1958/8-1,2 and PE580/8-3 is gratefully acknowledged. NR 20 TC 0 Z9 0 U1 2 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 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2011 VL 82 IS 8 AR 083903 DI 10.1063/1.3623796 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 814VZ UT WOS:000294486600029 PM 21895254 ER PT J AU Qiao, L Droubay, TC Kaspar, TC Sushko, PV Chambers, SA AF Qiao, L. Droubay, T. C. Kaspar, T. C. Sushko, P. V. Chambers, S. A. TI Cation mixing, band offsets and electric fields at LaAlO3/SrTiO3(001) heterojunctions with variable La:Al atom ratio SO SURFACE SCIENCE LA English DT Article DE LaAlO3/SrTiO3 interface; Cation intermixing ID INTERFACES; DENSITY; AUGER AB Interfacial intermixing and electronic structure were investigated at thin (3-5 unit cells.), epitaxial La-1 _ xAl1+xO3/SrTiO3(001) heterojunctions for x = 0 and +/- 0.05. Angle-resolved X-ray photoelectron spectroscopy reveals rather extensive cation intermixing for all films, independent of composition. The valence band offset for the nominally stoichiometric (x =0) film is 0.16 +/- 0.10 eV, with the valence band maximum of SrTiO3 being deeper in binding energy than that of LaAlO3. Similar values are obtained for x = +/- 0.05. There is no measurable band bending in either the LaAlO3 or the SrTiO3 near the interface. These results are at odds with first principles theoretical predictions based on perfect stoichiometry and an abrupt interface model. However, inclusion of intermixing in the compositional description of the interface results in successful prediction of the valence band offset and absence of band bending. 2011 Published by Elsevier B.V. C1 [Qiao, L.; Droubay, T. C.; Kaspar, T. C.; Chambers, S. A.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Sushko, P. V.] UCL, London Ctr Nanotechnol, London, England. RP Chambers, SA (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM sa.chambers@pnl.gov RI Qiao, Liang/A-8165-2012; Sushko, Peter/F-5171-2013; Droubay, Tim/D-5395-2016 OI Sushko, Peter/0000-0001-7338-4146; Droubay, Tim/0000-0002-8821-0322 FU Office of Science, Division of Materials Sciences and Engineering, U.S. Department of Energy; Office of Biological and Environmental Research of the Department of Energy and located at Pacific Northwest National Laboratory; Royal Society FX This work was supported by the Office of Science, Division of Materials Sciences and Engineering, U.S. Department of Energy and 120 was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Office of Biological and Environmental Research of the Department of Energy and located at Pacific Northwest National Laboratory. P.V.S. acknowledges the additional financial support from the Royal Society. NR 38 TC 39 Z9 39 U1 1 U2 93 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD AUG PY 2011 VL 605 IS 15-16 BP 1381 EP 1387 DI 10.1016/j.susc.2011.04.035 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 804RF UT WOS:000293671000009 ER PT J AU Subbaraman, R Sankaranarayanan, SKRS AF Subbaraman, Ram Sankaranarayanan, Subramanian K. R. S. TI On the correlation between phonon spectra and surface segregation features in Ag-Cu-Ni ternary nanoalloys SO SURFACE SCIENCE LA English DT Article DE Phonon spectra; Ternary nanoalloys; Molecular dynamics; Monte Carlo ID MOLECULAR-DYNAMICS SIMULATION; MONTE-CARLO SIMULATIONS; BIMETALLIC NANOCLUSTERS; CATALYST NANOPARTICLES; ALLOY NANOPARTICLES; CLUSTERS; PREDICTION; GOLD; RE AB Atomic scale characterization of chemical ordering, compositional distribution and microstructure is of tremendous importance for applications such as catalysis which is primarily dominated by processes occurring at surface and is strongly influenced by the subsurface layers. Phonon spectra obtained from molecular dynamics simulations of single metals as well as their bimetallic and ternary alloy nanoclusters can be used to obtain new insights into the atomic scale distribution in the nanoclusters, their microstructure and dynamical properties. Monte-Carlo (MC) simulations are used to obtain the minimum energy configurations of various Ag-Cu-Ni ternary alloys in which the Ag content is systematically varied from 0 to 50%Ag while keeping the relative composition of Cu and Ni constant. Detailed compositional analyses of the final MC configurations are carried out. The generated microstructure comprised of surface segregated structures in which Ag atoms occupy low coordination sites such as corners, edges and faces. As the Ag content in the ternary alloy is increased, the surface sites get increasingly occupied with the lowest coordination sites being populated first. The Cu and Ni compositions in the interior of the cluster show compositional oscillation. The final alloy microstructure is dictated by the competition between the various entropic and energetic factors. Our analysis of the phonon density of states identifies various surface (low frequency) and bulk (high frequency) modes which is determined by their location in the nanocluster and the local environment. Systematic trends in the observed peak intensities and frequency shifts at the low and high frequency ends of the spectrum for the various alloy compositions are explained on the basis of bond-lengths, local coordination, extent of alloying, and neighboring elemental environment. We find that the characteristic microstructural features observed at the atomic scale are strongly correlated to the vibrational densities of states of the constituent atoms in nanoalloys. Comparisons with experimental investigations are made where possible. Such a characterization method provides a predictive tool for materials which are extremely important for catalytic applications and emerging energy technologies. (C) 2011 Elsevier B.V. All rights reserved. C1 [Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Subbaraman, Ram] Argonne Natl Lab, Dept Nucl Engn, Argonne, IL 60439 USA. RP Sankaranarayanan, SKRS (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM skrssank@anl.gov FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-ACO2-06CH11357]; ANL FX Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-ACO2-06CH11357. The authors also thank the computational facilities provided by CNM-ANL and University of South Florida. The authors thank Dr. Handan Yildirim for useful discussions. R.S would also like to acknowledge ANL post-doctoral fellowship for support. NR 59 TC 2 Z9 2 U1 1 U2 9 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 AUG PY 2011 VL 605 IS 15-16 BP 1595 EP 1605 DI 10.1016/j.susc.2011.05.035 PG 11 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 804RF UT WOS:000293671000041 ER PT J AU Singh, KA Nelson, TL Belot, JA Young, TM Dhumal, NR Kowalewski, T McCullough, RD Nachimuthu, P Thevuthasan, S Porter, LM AF Singh, K. A. Nelson, T. L. Belot, J. A. Young, T. M. Dhumal, N. R. Kowalewski, T. McCullough, R. D. Nachimuthu, P. Thevuthasan, S. Porter, L. M. TI Effect of Self-Assembled Monolayers on Charge Injection and Transport in Poly(3-hexylthiophene)-Based Field-Effect Transistors at Different Channel Length Scales SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE organic field effect transistors; self-assembled monolayers; photoelectron spectroscopy; charge mobility ID THIN-FILM TRANSISTORS; ORGANIC ELECTRONIC DEVICES; CONJUGATED POLYMERS; CONTACT RESISTANCE; HOLE-INJECTION; LAYER; POLY(3-ALKYLTHIOPHENES); SEMICONDUCTORS; POLYTHIOPHENES; PERFORMANCE AB Charge injection and transport in bottom-contact regioregular-poly(3-hexylthiophene) (rr-P3HT) based field-effect transistors (FETs), wherein the Au source and drain contacts are modified by self-assembled monolayers (SAMs), is reported at different channel length scales. Ultraviolet photoelectron spectroscopy is used to measure the change in metal work function upon treatment with four SAMs consisting of thiol-adsorbates of different chemical composition. Treatment of FETs with electron-poor (electron-rich) SAMs resulted in an increase (decrease) in contact metal work function because of the electron-withdrawing (-donating) tendency of the polar molecules. The change in metal work function affects charge injection and is reflected in the form of the modulation of the contact resistance, R(C). For example, R(C) decreased to 0.18 M Omega in the case of the (electron-poor) 3,5-bis-trifluoromethylbenzenethiol treated contacts from the value of 0.61 M Omega measured in the case of clean Au-contacts, whereas it increased to 0.97 M Omega in the case of the (electron-rich) 3-thiomethylthiophene treated contacts. Field-effect mobility values are observed to be affected in short-channel devices (<20 mu m) but not in long-channel devices. This channel-length-dependent behavior of mobility is attributed to grain-boundary limited charge transport at longer channel lengths in these devices. C1 [Singh, K. A.; Porter, L. M.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Nelson, T. L.; Belot, J. A.; Young, T. M.; Dhumal, N. R.; Kowalewski, T.; McCullough, R. D.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Nachimuthu, P.; Thevuthasan, S.] Pacific NW Natl Lab, EMSL, Richland, WA 99352 USA. RP Porter, LM (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM lporter@andrew.cmu.edu OI Kowalewski, Tomasz/0000-0002-3544-554X FU National Science Foundation [ECS0524340, ECCS0824188]; Pennsylvania Infrastructure Technology Alliance; Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory FX Research funding from the National Science Foundation (Grant #'s ECS0524340 and ECCS0824188) and the Pennsylvania Infrastructure Technology Alliance is gratefully acknowledged. 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 46 TC 14 Z9 14 U1 5 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD AUG PY 2011 VL 3 IS 8 BP 2973 EP 2978 DI 10.1021/am200449x PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 810SH UT WOS:000294146900023 PM 21790138 ER PT J AU Jariwala, BN Dewey, OS Stradins, P Ciobanu, CV Agarwal, S AF Jariwala, Bhavin N. Dewey, Oliver S. Stradins, Paul Ciobanu, Cristian V. Agarwal, Sumit TI In Situ Gas-Phase Hydrosilylation of Plasma-Synthesized Silicon Nanocrystals SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE silicon nanocrystals; hydrosilylation; surface functionalization ID SELF-DIRECTED GROWTH; ADSORPTION-KINETICS; TERMINATED SI(100); SURFACE-REACTION; POROUS SILICON; QUANTUM DOTS; SOLAR-CELLS; HYDROGEN; CHEMISTRY; SI(111) AB Surface passivation of semiconductor nanocrystals (NCs) is critical in enabling their utilization in novel optoelectronic devices, solar cells, and biological and chemical sensors. Compared to the extensively used liquid-phase NC synthesis and passivation techniques, gas-phase routes provide the unique opportunity for in situ passivation of semiconductor NCs. Herein, we present a method for in situ gas-phase organic functionalization of plasma-synthesized, H-terminated silicon (Si) NCs. Using real-time in situ attenuated total reflection Fourier transform IR spectroscopy, we have studied the surface reactions during hydrosilylation of Si NCs at 160 degrees C. First, we show that, during gas-phase hydrosilylation of Si NCs using styrene (1-alkene) and acetylene (allcyne), the reaction pathways of the alkenes and allcynes chemisorbing onto surface SiH(x) (x = 1-3) species are different. Second, utilizing this difference in reactivity, we demonstrate a novel pathway to enhance the surface ligand passivation of Si NCs via in situ gas-phase hydrosilylation using the combination of a short-chain alkyne (acetylene) and a long-chain 1-alkene (styrene). The quality of surface passivation is further validated through IR and photoluminescence measurements of Si NCs exposed to air. C1 [Ciobanu, Cristian V.] Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. [Jariwala, Bhavin N.; Dewey, Oliver S.; Agarwal, Sumit] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Stradins, Paul] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. RP Ciobanu, CV (reprint author), Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. EM cciobanu@mines.edu; sagarwal@mines.edu RI Ciobanu, Cristian/B-3580-2009; Agarwal, Sumit/D-8950-2011 FU NSF [CMMI-0846858, CBET-0846923]; CRSP [KXFE-9-99001-08]; Colorado School of Mines (NSF) [DMR-0820518]; U.S. Department of Energy [DE-AC36-99GO10337] FX This research was supported by the NSF (Grants CMMI-0846858 and CBET-0846923), the CRSP program (Task No. KXFE-9-99001-08), the Renewable Energy MRSEC program at the Colorado School of Mines (NSF Grant DMR-0820518), and the U.S. Department of Energy Solar Energy Technology Program under Contract DE-AC36-99GO10337. We thank Dr. Reuben T. Collins and Dr. Benjamin G. Lee for support with PL measurements. NR 47 TC 29 Z9 30 U1 1 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD AUG PY 2011 VL 3 IS 8 BP 3033 EP 3041 DI 10.1021/am200541p PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 810SH UT WOS:000294146900031 PM 21774486 ER PT J AU Xu, JG Wilson, AR Rathmell, AR Howe, J Chi, MF Wiley, BJ AF Xu, Jianguang Wilson, Adria R. Rathmell, Aaron R. Howe, Jane Chi, Miaofang Wiley, Benjamin J. TI Synthesis and Catalytic Properties of Au-Pd Nanoflowers SO ACS NANO LA English DT Article DE gold; palladium; nanostructures; nanoflowers; nanoclusters ID BIMETALLIC NANOPARTICLES; PALLADIUM NANOPARTICLES; HECK REACTIONS; MECHANISM; OXIDATION; GROWTH; GOLD; NANODENDRITES; NANOCRYSTALS; SIZE AB Reduction of Pd ions by hydroquinone in the presence of gold nanoparticles and polyvinylpyrrolidone resulted in the formation of nanoflowers with a Au core and Pd petals. Addition of HCl to the synthesis halted the reduction by hydroquinone and enabled the acquisition of snapshots of the nanoflowers at different stages of growth. TEM images of the reaction after 10 s show that the nanoflower morphology resulted from the homogeneous nucleation of Pd clusters in solution and their subsequent attachment to gold seeds coated with a thin (08 +/- 0.1 nm) shell of Pd. UV-visible spectra also indicate Pd clusters formed in the early stages of the reaction and disappeared as the nanoflowers grew. The speed at which this reaction can be halted is useful not only for producing a variety of bimetallic nanostructures with precisely controlled dimensions and morphologies but also for understanding the growth mechanism of these structures. The ability of the AuPd core-shell structure to catalyze the Suzuki coupling reaction of Iodobenzene to phenylboronic add was probed and compared against the activity of Pd nanocubes and thin-shelled AuPd core-shell nanoparticles. The results of this study suggest that Suzuki coupling was not affected by the surface structure or subsurface composition of the nanoparticles, but instead was primarily catalyzed by molecular Pd species that leached from the nanostructures. C1 [Xu, Jianguang; Wilson, Adria R.; Rathmell, Aaron R.; Wiley, Benjamin J.] Duke Univ, Dept Chem, Durham, NC 27708 USA. [Xu, Jianguang] Hunan Univ Sci & Technol, Sch Electromech Engn, Xiangtan 411201, Hunan, Peoples R China. [Howe, Jane; Chi, Miaofang] Oak Ridge Natl Lab, Microscopy Grp, Oak Ridge, TN 37831 USA. RP Wiley, BJ (reprint author), Duke Univ, Dept Chem, 124 Sci Dr,Box 90354, Durham, NC 27708 USA. EM benjamin.wiley@duke.edu RI Howe, Jane/G-2890-2011; Wiley, Benjamin/A-7003-2008; Chi, Miaofang/Q-2489-2015; Xu, jianguang/E-6360-2011 OI Chi, Miaofang/0000-0003-0764-1567; FU Duke University; China Scholarship Council; ORNL; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This research was supported by start-up funds from Duke University, the China Scholarship Council (fellowship to J.X.), and ORNL's Share User Facility (J.H. and M. C.), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. A.R.W. acknowledges support by a fellowship from the Graduate Certificate Program in Nanoscience at Duke University. NR 31 TC 95 Z9 97 U1 15 U2 173 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD AUG PY 2011 VL 5 IS 8 BP 6119 EP 6127 DI 10.1021/nn201161m PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 809VS UT WOS:000294085400008 PM 21761821 ER PT J AU Im, H Lee, SH Wittenberg, NJ Johnson, TW Lindquist, NC Nagpal, P Norris, DJ Oh, SH AF Im, Hyungsoon Lee, Si Hoon Wittenberg, Nathan J. Johnson, Timothy W. Lindquist, Nathan C. Nagpal, Prashant Norris, David J. Oh, Sang-Hyun TI Template-Stripped Smooth Ag Nanohole Arrays with Silica Shells for Surface Plasmon Resonance Biosensing SO ACS NANO LA English DT Article DE template-stripping; plasmonics; surface plasmon resonance; nanohole array; atomic layer deposition; microfluidics; biosensing; nanoimprint lithography; supported lipid bilayer ID SUBWAVELENGTH HOLE ARRAYS; ATOMIC LAYER DEPOSITION; METAL-FILMS; TRANSMISSION; METAMATERIALS; FABRICATION; MEMBRANES; LIGHT AB Inexpensive, reproducible, and high-throughput fabrication of nanometric apertures In metallic films can benefit many applications in plasmonics, sensing, spectroscopy, lithography, and imaging. Here we use template-stripping to pattern periodic nanohole arrays In optically thick, smooth Ag films with a silicon template made via nanoimprint lithography. Ag is a low-cost material with good optical properties, but it suffers from poor chemical stability and biocompatibility. However, a thin silica shell encapsulating our template-stripped Ag nanoholes facilitates biosensing applications by protecting the Ag from oxidation as well as providing a robust surface that can be readily modified with a variety of biomolecules using well-established silane chemistry. The thickness of the conformal silica shell can be precisely tuned by atomic layer deposition, and a 15 nm thick silica shell can effectively prevent fluorophore quenching. The Ag nanohole arrays with silica shells can also be bonded to polydimethylsiloxane (PDMS) microfluidic channels for fluorescence, imaging, formation of supported lipid bilayers, and real-time, label-free SPR sensing. Additionally, the smooth surfaces of the template-stripped Ag films enhance refractive index sensitivity compared with as-deposited, rough Ag films. Because nearly centimeter-sized nanohole arrays can be produced inexpensively without using any additional lithography, etching, or lift-off, this method can facilitate widespread applications of metallic nanohole arrays for plasmonics and biosensing. C1 [Im, Hyungsoon; Wittenberg, Nathan J.; Johnson, Timothy W.; Lindquist, Nathan C.; Oh, Sang-Hyun] Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA. [Lee, Si Hoon; Oh, Sang-Hyun] Univ Minnesota, Dept Biomed Engn, Minneapolis, MN 55455 USA. [Nagpal, Prashant] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Norris, David J.] Swiss Fed Inst Technol, Opt Mat Engn Lab, Zurich, Switzerland. RP Oh, SH (reprint author), Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA. EM sang@umn.edu RI Im, Hyungsoon/A-3178-2009; Norris, David/F-4022-2010; Wittenberg, Nathan/A-8958-2011; Nagpal, Prashant/G-7802-2012 OI Im, Hyungsoon/0000-0002-0626-1346; Wittenberg, Nathan/0000-0001-9196-1867; FU NSF [DBI-0964216]; Office of Naval Research (ONR); NIH [R01 GM 092993]; 3M Science and Technology Fellowship; Samsung; NSF through the National Nanotechnology Infrastructure Network FX This work was supported by grants from the NSF CAREER Award, NSF IDBR Program (DBI-0964216), Office of Naval Research (ONR) Young Investigator Program, and NIH R01 GM 092993 (S.-H.O.). H.I. acknowledges a 3M Science and Technology Fellowship. S.H.L. was supported by a Samsung Fellowship. T.W.J. acknowledges an NIH Biotechnology training grant. Device fabrication was performed at the U. of Minnesota Nanofabrication Center (NFC), which receives support from NSF through the National Nanotechnology Infrastructure Network. NR 52 TC 97 Z9 98 U1 12 U2 135 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 AUG PY 2011 VL 5 IS 8 BP 6244 EP 6253 DI 10.1021/nn202013v PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 809VS UT WOS:000294085400022 PM 21770414 ER PT J AU Hunley, DP Johnson, SL Stieha, JK Sundararajan, A Meacham, AT Ivanov, IN Strachan, DR AF Hunley, D. Patrick Johnson, Stephen L. Stieha, Joseph K. Sundararajan, Abhishek Meacham, Aaron T. Ivanov, Ilia N. Strachan, Douglas R. TI Crystallographically Aligned Carbon Nanotubes Grown on Few-Layer Graphene Films SO ACS NANO LA English DT Article DE graphene; aligned carbon nanotubes; crystallographic etching; catalysis; chemical vapor deposition ID ATOMIC-STRUCTURE; GRAPHITE; NANORIBBONS; SCALE; ARRAYS; TRANSISTORS; SAPPHIRE; PLANE; LONG; HOPG AB Carbon nanotubes are grown. on few-layer graphene films using chemical vapor deposition without a carbon feedstock gas. We find that the nanotubes show a striking alignment to specific crystal orientations of the few-layer graphene films. The nanotubes are oriented predominantly at 60 degree Intervals and are offset 30 degrees from crystallographically oriented etch tracks, indicating alignment to the armchair. axes of the few-layer graphene films. Nanotubes. grown on various thicknesses of few-layer graphene under identical process conditions show that the thinnest films, in the sub-6 atomic layer regime, demonstrate significantly Improved crystallographic alignment. Intricate crystallographic patterns are also observed flaying sharp kinks with bending radii less than the similar to 10 nm lateral resolution of the electron and atomic force microscopy used to image them. Some of these kinks occur independently without interactions between nanotubes while others result when two nanotubes intersect. These intersections can trap nanotubes between two parallel nanotubes resulting in crystallographic back and forth zigzag geometries. These.. interactions suggest a tip-growth mechanism such that the catalyst particles remain within several nanometers of the few-layer graphene surface as they move leaving a nanotube in their wake. C1 [Hunley, D. Patrick; Johnson, Stephen L.; Stieha, Joseph K.; Sundararajan, Abhishek; Meacham, Aaron T.; Strachan, Douglas R.] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. [Ivanov, Ilia N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Strachan, DR (reprint author), Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. EM doug.strachan@uky.edu RI ivanov, ilia/D-3402-2015 OI ivanov, ilia/0000-0002-6726-2502 FU National Science Foundation (NSF) [DMR-0805136]; Kentucky NSF [EPS-0814194]; University of Kentucky (UK) Center for Advanced Materials (CAM); Oak Ridge National Laboratory; Office of Basic Energy Sciences, U.S. Department of Energy FX The authors acknowledge the support from the National Science Foundation (NSF) through Grant DMR-0805136, the Kentucky NSF EPSCoR program through award EPS-0814194, and the University of Kentucky (UK) Center for Advanced Materials (CAM). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Office of Basic Energy Sciences, U.S. Department of Energy. NR 50 TC 16 Z9 16 U1 0 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD AUG PY 2011 VL 5 IS 8 BP 6403 EP 6409 DI 10.1021/nn201573m PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 809VS UT WOS:000294085400039 PM 21749089 ER PT J AU Byun, IS Yoon, D Choi, JS Hwang, I Lee, DH Lee, MJ Kawai, T Son, YW Jia, Q Cheong, H Park, BH AF Byun, Ik-Su Yoon, Duhee Choi, Jin Sik Hwang, Inrok Lee, Duk Hyun Lee, Mi Jung Kawai, Tomoji Son, Young-Woo Jia, Quanxi Cheong, Hyeonsik Park, Bae Ho TI Nanoscale Lithography on Mono layer Graphene Using Hydrogenation and Oxidation SO ACS NANO LA English DT Article DE graphene hydrogenation; graphene oxidation; nanoscale lithography; atomic force microscope; Raman spectroscopy ID ATOMIC-FORCE MICROSCOPE; RAMAN-SPECTRA; OXIDE-FILMS; NANOLITHOGRAPHY; BANDGAP AB Monolayer graphene is one of the most interesting materials applicable to next-generation electronic devices due to Its transport properties. However, realization of graphene devices requires suitable nanoscale lithography as well as a method:to open a band gap in monolayer graphene. Nanoscale hydrogenation and oxidation are promising methods to open an energy band, gap by modification of surface structures and to fabricate nanostructures such as graphene nanoribbons (GNRs). Until now It has been difficult to fabricate nanoscale devices' consisting of both hydrogenated and oxidized graphene because the hydrogenation of graphene requires a complicated process composed of large-scale chemical modification, nanoscale patterning, and etching. We report on nanoscale hydrogenation and oxidation of graphene under normal atmospheric conditions and at room temperature without etching, wet process, or even any gas treatment by controlling just an external bias through atomic force Microscope lithography. Both the lithographically defined nanoscale hydrogenation and oxidation have been confirmed by micro-Raman spectroscopy measurements. Patterned hydrogenated. and oxidized graphene show insulating behaviors, and their friction values are several times larger than those of graphene. These differences can be used for fabricating electronic or electromechanical devices based on graphene. C1 [Yoon, Duhee; Cheong, Hyeonsik] Sogang Univ, Dept Phys, Seoul 121742, South Korea. [Byun, Ik-Su; Choi, Jin Sik; Hwang, Inrok; Lee, Duk Hyun; Lee, Mi Jung; Kawai, Tomoji; Jia, Quanxi; Park, Bae Ho] Konkuk Univ, Div Quantum Phases & Devices, Dept Phys, Seoul 143701, South Korea. [Kawai, Tomoji] Osaka Univ, Inst Sci & Ind Res, Osaka 5670047, Japan. [Son, Young-Woo] Korea Inst Adv Study, Seoul 130722, South Korea. [Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Cheong, H (reprint author), Sogang Univ, Dept Phys, Seoul 121742, South Korea. EM hcheong@sogang.ac.kr; baehpark@konkuk.ac.kr RI son, Young-Woo/B-2566-2010; Cheong, Hyeonsik/D-7424-2012; Park, Bae Ho/D-4840-2011; Jia, Q. X./C-5194-2008 OI Cheong, Hyeonsik/0000-0002-2347-4044; FU Ministry of Education. Science and Technology (MEST) [KRF-2008-314-000111]; National Research Laboratory (NRL) [2008-0060004]; World Class University (WCU) Program [R31-2008-000-10057-0]; Quantum Metamaterials Research Center [R11-2008-053-03002-0]; Nano RD program [2008-2003670]; Midcareer Researcher Program [2011-0017605]; Seoul Scholarship Foundation FX This work was supported by the following National Research Foundation of Korea (NRF) grants funded by the Ministry of Education. Science and Technology (MEST): Basic Science Research Program (Grant No. KRF-2008-314-000111), National Research Laboratory (NRL) Program (2008-0060004), World Class University (WCU) Program (Grant No. R31-2008-000-10057-0), Quantum Metamaterials Research Center (Grant No. R11-2008-053-03002-0), Nano R&D program (2008-2003670), and Midcareer Researcher Program (2011-0017605). I.-S.B. was supported by Hi Seoul Science / Humanities Fellowship from Seoul Scholarship Foundation. NR 34 TC 63 Z9 63 U1 3 U2 104 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD AUG PY 2011 VL 5 IS 8 BP 6417 EP 6424 DI 10.1021/nn201601m PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 809VS UT WOS:000294085400041 PM 21777004 ER PT J AU Stiegler, JM Abate, Y Cvitkovic, A Romanyuk, YE Huber, AJ Leone, SR Hillenbrand, R AF Stiegler, Johannes M. Abate, Yohannes Cvitkovic, Antonija Romanyuk, Yaroslav E. Huber, Andreas J. Leone, Stephen R. Hillenbrand, Rainer TI Nanoscale Infrared Absorption Spectroscopy of Individual Nanoparticles Enabled by Scattering-Type Near-Field Microscopy SO ACS NANO LA English DT Article DE scattering-type near-field microscopy; infrared absorption spectroscopy; nanoparticles; phase contrast; chemical identification; nanoscale resolution ID OPTICAL MICROSCOPY; RESOLUTION; SILICON; NANOSTRUCTURES; RECOGNITION; CONTRAST; MODEL AB Infrared absorption spectroscopy is a powerful and widely used tool for analyzing the chemical composition and structure of materials. Because of the diffraction limit, however, it cannot be applied for studying Individual nanostructures. Here we demonstrate that the phase contrast in substrate-enhanced scattering-type scanning near-field optical microscopy (s-SNOM) provides a map of the infrared absorption spectrum of individual nanoparticles with nanometer-scale spatial resolution. We succeeded in the chemical identification of Silicon nitride nanoislands with heights well below 10 nm, by Infrared near-field fingerprint spectroscopy of the Si-N stretching bond. Employing a novel theoretical model, we show,that the near-field phase spectra of small particles correlate well with their far-field absorption spectra. On the other hand, the spectral near-field contrast does not scale with the volume Oche particles. We find a nearly linear scaling law, which we can attribute to the near-field coupling between the near-field probe and the substrate. Our results provide fundamental insights into the spectral near-field contrast of nanoparticles and clearly demonstrate the capability of s-SNOM for nanoscale chemical mapping based on local infrared absorption. C1 [Stiegler, Johannes M.; Hillenbrand, Rainer] CIC NanoGUNE Consolider, Nanoopt Grp, Donostia San Sebastian, Spain. [Abate, Yohannes; Romanyuk, Yaroslav E.; Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Abate, Yohannes; Romanyuk, Yaroslav E.; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Abate, Yohannes; Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Cvitkovic, Antonija; Huber, Andreas J.] Neaspec GmbH, Martinsried, Germany. [Hillenbrand, Rainer] Basque Fdn Sci, IKERBASQUE, Bilbao, Spain. RP Hillenbrand, R (reprint author), CIC NanoGUNE Consolider, Nanoopt Grp, Donostia San Sebastian, Spain. EM r.hillenbrand@nanogune.eu RI Hillenbrand, Rainer/N-3428-2016; nanoGUNE, CIC/A-2623-2015 FU Spanish Ministerio de Ciencia e Innovacion [MAT2009-08398]; BMBF; Department of Energy; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy through the Division of Materials Research [DE-AC02-05CH11231]; Swiss National Science Foundation [PBEL2-112358]; U.S. National Science Foundation Engineering Research Center [EEC-0310717] FX We thank N. Ocelic (Neaspec GmbH, Martinsried) and P. S. Carney (University of Illinois at Urbana-Champaign) for discussions. This work was financially supported by the National Project MAT2009-08398 from the Spanish Ministerio de Ciencia e Innovacion. A.C. acknowledges the KMU-Innovationsofensive-NanoChance Project from the BMBF for financial support. The Berkeley authors gratefully acknowledge Department of Energy financial support for Y.A. and supplies, by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy under Contract No. DE-AC02-05CH11231 through the Division of Materials Research. Y.E.R. acknowledges prospective researcher fellowship no. PBEL2-112358 from the Swiss National Science Foundation and partial support by the U.S. National Science Foundation Engineering Research Center grant for Extreme Ultraviolet Science and Technology no. EEC-0310717. NR 36 TC 33 Z9 34 U1 2 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD AUG PY 2011 VL 5 IS 8 BP 6494 EP 6499 DI 10.1021/nn2017638 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 809VS UT WOS:000294085400050 PM 21770439 ER PT J AU Duque, JG Hamilton, CE Gupta, G Crooker, SA Crochet, JJ Mohite, A Htoon, H Obrey, KAD Dattelbaum, AM Doorn, SK AF Duque, Juan G. Hamilton, Christopher E. Gupta, Gautam Crooker, Scott A. Crochet, Jared J. Mohite, Aditya Htoon, Han Obrey, Kimberly A. DeFriend Dattelbaum, Andrew M. Doorn, Stephen K. TI Fluorescent Single-Walled Carbon Nanotube Aerogels in Surfactant-free Environments SO ACS NANO LA English DT Article DE single-walled carbon nanotube; fluorescence; surfactant-free; silica aerogel; nanocomposite; low-temperature ID EXCITONS; PHOTOLUMINESCENCE; OPTOELECTRONICS; SENSORS AB A general challenge In generating functional materials from nanoscale components is integrating them into useful composites that retain or: enhance their properties of interest. Development of single walled carbon nanotube (SWNT) material's for optoelectonics and sensing has been especially challenging in that SWNT optical and electronic properties are highly sensitive to environmental Interactions, which can be particularly severe incomposite matrices. Percolation of SWNTs Into aqueous silica gels shows promise as an important route for exploiting their properties, but retention of the aqueous and surfactant environment still impacts and limits optical response, while also limiting the range of conditions in. which these. materials may be applied. Here, we. present for the first time an innovative approach to obtain highly fluorescent solution-free SWNT-silica aerogels, which provides access to novel photophysical properties. Strongly blue-shifted spectral features, revelation of new diameter-dependent gas-phase adsorption phenomena, and significant increase (approximately three times that at room temperature) in photoluminiescence. intensities at cryogenic temperatures all indicate greatly, reduced SWNT matrix interactions consistent with the SWNTs experiencing a surfactant-free environment. The results demonstrate that this solid-state nanomaterial will play an important role in further revealing the true intrinsic SWNT chemical and photophysical behaviors and represent for the first time-a promising new solution- and surfactant-free material for advancing SWNT applications in sensing, photonics, and optoelectronics. C1 [Duque, Juan G.; Gupta, Gautam; Crochet, Jared J.; Mohite, Aditya; Htoon, Han; Dattelbaum, Andrew M.; Doorn, Stephen K.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Duque, Juan G.; Mohite, Aditya; Htoon, Han] Los Alamos Natl Lab, Phys Chem & Appl Spect Grp, Div Chem, Los Alamos, NM 87545 USA. [Hamilton, Christopher E.; Obrey, Kimberly A. DeFriend] Los Alamos Natl Lab, Polymers & Coatings Grp, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Crooker, Scott A.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Dattelbaum, AM (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM amdattel@lanl.gov; skdoorn@lanl.gov RI Crochet, Jared/C-8488-2011; OI Hamilton, Christopher/0000-0002-1605-5992; Crochet, Jared/0000-0002-9570-2173; Htoon, Han/0000-0003-3696-2896 FU LANL-LDRD FX The authors thank the Smalley Institute for Nanoscale Science and Technology at Rice University for supplying SWNTs. This work was performed in part at the Center for integrated Nanotechnologies, a US. Department of Energy. Office of Basic Energy Sciences user facility, and supported in part by LANL-LDRD funding. J.G.D. acknowledges support of the LANL-LDRD Director's Postdoctoral Fellowship. A.M.D. thanks the U.S. Department of Energy, Office of Basic Energy Sciences for partially supporting this work. NR 39 TC 16 Z9 16 U1 6 U2 88 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 AUG PY 2011 VL 5 IS 8 BP 6686 EP 6694 DI 10.1021/nn202225k PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 809VS UT WOS:000294085400072 PM 21790146 ER PT J AU Qiu, S Clausen, B Padula, SA Noebe, RD Vaidyanathan, R AF Qiu, S. Clausen, B. Padula, S. A., II Noebe, R. D. Vaidyanathan, R. TI On elastic moduli and elastic anisotropy in polycrystalline martensitic NiTi SO ACTA MATERIALIA LA English DT Article DE Elastic modulus; Martensite; Shape memory; Anisotropy; Neutron diffraction ID ACQUIRED IN-SITU; DIFFRACTION SPECTRA; RIETVELD REFINEMENT; SUPERELASTIC NITI; TEXTURE; STRAIN; STRESSES AB A combined experimental and computational effort was undertaken to provide insight into the elastic response of B19' martensitic NiTi variants as they exist in bulk, polycrystalline aggregate form during monotonic tensile and compressive loading. The experimental effort centered on using in situ neutron diffraction during loading to measure elastic moduli in several directions along with an average Young's modulus and a Poisson's ratio. The measurements were compared with predictions from a 30,000 variant, self-consistent polycrystalline deformation model that accounted for the elastic intergranular constraint, and also with predictions of single crystal behavior from previously published ab initio studies. Variant conversion and detwinning processes that influenced the intergranular constraint occurred even at stresses where the macroscopic stress strain response appeared linear. Direct evidence of these processes was revealed in changes in texture, which were captured in inverse pole figures constructed from the neutron diffraction measurements. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Qiu, S.; Vaidyanathan, R.] Univ Cent Florida, AMPAC, Mech Mat & Aerosp Engn Dept, Orlando, FL 32816 USA. [Clausen, B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Padula, S. A., II; Noebe, R. D.] NASA, Glenn Res Ctr, Cleveland, OH 44135 USA. RP Vaidyanathan, R (reprint author), Univ Cent Florida, AMPAC, Mech Mat & Aerosp Engn Dept, Orlando, FL 32816 USA. EM raj@mail.ucf.edu RI Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X FU NASA [NNX08A-B51A]; Office of Basic Energy Sciences, DOE; Los Alamos National Security LLC under DOE [DE-AC52-06NA25396] FX The authors acknowledge funding from the NASA Fundamental Aeronautics Program, Supersonic Project (NNX08A-B51A), under the guidance of Dale Hopkins, API. The authors also thank D. Brown and T. Sisneros at LANL for experimental assistance. This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Office of Basic Energy Sciences, DOE. LANL is operated by Los Alamos National Security LLC under DOE Contract No. DE-AC52-06NA25396. NR 26 TC 46 Z9 46 U1 2 U2 51 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD AUG PY 2011 VL 59 IS 13 BP 5055 EP 5066 DI 10.1016/j.actamat.2011.04.018 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 797GX UT WOS:000293113600001 ER PT J AU Liu, L Husseini, NS Torbet, CJ Lee, WK Clarke, R Jones, JW Pollock, TM AF Liu, L. Husseini, N. S. Torbet, C. J. Lee, W. -K. Clarke, R. Jones, J. W. Pollock, T. M. TI In situ synchrotron X-ray imaging of high-cycle fatigue crack propagation in single-crystal nickel-base alloys SO ACTA MATERIALIA LA English DT Article DE X-ray diffraction; High-cycle fatigue; Finite-element analysis; Nickel alloys ID STRESS INTENSITY FACTORS; SUPERALLOY; BEHAVIOR; GROWTH; MICROSTRUCTURE; TEMPERATURE; RADIATION; MAR-M200 AB Fatigue crack propagation in single-crystal nickel-base superalloys was studied in situ with synchrotron X-ray imaging in a very high-cycle regime. Experiments were performed at ambient temperature with a newly developed portable ultrasonic fatigue instrument. The fatigue apparatus produced stable fatigue crack propagation with positive mean stresses for specimens as thin as 150 mu m at a loading frequency of 20 kHz. Fatigue cracks propagated in a mixed-mode crystallographic manner along {1 1 1} slip planes. Phase-contrast imaging permitted analysis of the interaction of the crack front with microstructural features. Three-dimensional linear elastic finite-element analyses were performed to investigate the driving forces for crack propagation in the sheet specimen geometry. For the experimental conditions examined, fatigue crack growth is driven by the resolved shear and normal stresses on the active crack tip slip systems. An octahedral stress intensity is proposed as the relevant driving force for crack growth which determines the fatigue crack growth plane in nickel-base single crystals at room temperature. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Liu, L.; Torbet, C. J.; Jones, J. W.; Pollock, T. M.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Liu, L.] Being Inst Technol, Sch Aerosp Engn, Beijing 100081, Peoples R China. [Husseini, N. S.; Clarke, R.] Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. [Torbet, C. J.; Pollock, T. M.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Lee, W. -K.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Pollock, TM (reprint author), Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. EM pollock@engineering.ucsb.edu FU AFOSR [FA9550-05-1-0416]; US Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; US Department of Energy [DEFG02-06ER46273]; National Natural Science Foundation of China [11002020]; Program for New Century Excellent Talents in University FX Research was sponsored by AFOSR-MURI: Diagnostics for Defense-Critical Advanced Materials and Processes Award No. FA9550-05-1-0416. Use of APS was supported by the US Department of Energy, Office of Science, and Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. RC was supported in part by US Department of Energy Grant No. DEFG02-06ER46273. Dr L. Liu was supported in part by National Natural Science Foundation of China under Grant No. 11002020 and the Program for New Century Excellent Talents in University. NR 32 TC 7 Z9 7 U1 6 U2 41 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD AUG PY 2011 VL 59 IS 13 BP 5103 EP 5115 DI 10.1016/j.actamat.2011.04.042 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 797GX UT WOS:000293113600006 ER PT J AU Holm, EA Rohrer, GS Foiles, SM Rollett, AD Miller, HM Olmsted, DL AF Holm, Elizabeth A. Rohrer, Gregory S. Foiles, Stephen M. Rollett, Anthony D. Miller, Herbert M. Olmsted, David L. TI Validating computed grain boundary energies in fcc metals using the grain boundary character distribution SO ACTA MATERIALIA LA English DT Article DE Grain boundary energy; Grain boundary character; MD simulations; EBSD ID 5 MACROSCOPIC PARAMETERS; CRYSTALLITE ROTATION METHOD; TILT BOUNDARIES; CUBIC METALS; INTERFACIAL ENERGIES; COPPER; MISORIENTATION; ALUMINUM; GEOMETRY; GROWTH AB The grain boundary character distribution (GBCD) is a direct measurement that can be determined from a single planar section. Since the GBCD is inversely related to the grain boundary energy distribution, it offers a useful metric for validating grain boundary energy calculations. Comparisons between the measured GBCD and calculated energies for 388 grain boundaries in Al show that, for boundaries with a statistically reliable number of observations, including general, Sigma 3, Sigma 7, Sigma 11 and < 1 1 1 > twist boundaries, the GBCD and calculated grain boundary energy have weighted correlation coefficients of approximately 0.9, reproducing both qualitative and quantitative trends seen in simulations. GBCDs for Ni and Al are positively correlated, as predicted by simulation. By combining GBCD measurements with simulation results, we validate grain boundary energy simulations in both low and high stacking fault energy metals. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Holm, Elizabeth A.; Foiles, Stephen M.] Sandia Natl Labs, Computat Mat Sci & Engn Dept, Albuquerque, NM 87185 USA. [Rohrer, Gregory S.; Rollett, Anthony D.; Miller, Herbert M.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Olmsted, David L.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Holm, EA (reprint author), Sandia Natl Labs, Computat Mat Sci & Engn Dept, POB 5800, Albuquerque, NM 87185 USA. EM Eaholm@sandia.gov RI Rollett, Anthony/A-4096-2012; Rohrer, Gregory/A-9420-2008; Holm, Elizabeth/S-2612-2016; OI Rollett, Anthony/0000-0003-4445-2191; Rohrer, Gregory/0000-0002-9671-3034; Holm, Elizabeth/0000-0003-3064-5769; Foiles, Stephen/0000-0002-1907-454X FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Department of Energy, Office of Basic Energy Sciences; National Science Foundation [DMR-0520425] 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. We acknowledge support from the Department of Energy, Office of Basic Energy Sciences both through the core program and through the Computational Materials Science Network program. The work at CMU was primarily supported by the MRSEC program of the National Science Foundation under Award Number DMR-0520425. NR 44 TC 22 Z9 22 U1 0 U2 40 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD AUG PY 2011 VL 59 IS 13 BP 5250 EP 5256 DI 10.1016/j.actamat.2011.05.001 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 797GX UT WOS:000293113600019 ER PT J AU Wei, CT Maddox, BR Stover, AK Weihs, TP Nesterenko, VF Meyers, MA AF Wei, C. T. Maddox, B. R. Stover, A. K. Weihs, T. P. Nesterenko, V. F. Meyers, M. A. TI Reaction in Ni-Al laminates by laser-shock compression and spalling SO ACTA MATERIALIA LA English DT Article DE Shock-induced reactions; Laser; Aluminum; Nickel; Intermetallics ID SI POWDER MIXTURES; SHEAR LOCALIZATION; NICKEL ALUMINIDES; CHEMICAL-REACTION; TI-SI; FOILS; COPPER; SIMULATIONS; SPECIMENS; SILICIDES AB Reactive Ni/Al laminates (with bilayer thicknesses of 5 and 30 mu m) were subjected to direct high-intensity laser shock-wave loading. The laser intensity was varied between similar to 2.68 x 10(11) and similar to 1.28 x 10(13) W cm(-2), with two distinct initial pulse durations: 3 and 8 ns. Analytical and computational estimations (HYADES) were conducted to simulate the propagation of the shock wave and obtain the initial shock pressure. The thinner bilayer laminate exhibited intense localized interfacial reaction at the higher laser intensity (1.28 x 10(13) W cm(-2)), but the intermetallic reaction did not propagate through the laminates. The estimated temperature changes inside the sample, cooling rate, and cooling time were calculated by analyzing the intermetallic dendrites. Scanning electron microscopy, electron-dispersive spectroscopy and X-ray diffraction were carried out for identifying the compositions of intermetallic products. Increase in the duration of laser shock wave enhanced the reaction in laminates. It is demonstrated that the methodology of laser shock is suited to investigate the threshold conditions for dynamic mechanical reaction initiation. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Wei, C. T.; Nesterenko, V. F.; Meyers, M. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Maddox, B. R.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Stover, A. K.; Weihs, T. P.] Johns Hopkins Univ, Baltimore, MD 21218 USA. RP Wei, CT (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM chwei@ucsd.edu RI Weihs, Timothy/A-3313-2010; Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 FU ONR MURI [N00014-07-1-0740]; ILSA [W-7405-Eng-48] FX Funding was provided by Grant ONR MURI N00014-07-1-0740 and ILSA Contract No. W-7405-Eng-48. The help provided by Dr. D. Correll is gratefully acknowledged. The authors greatly appreciate the generous help from Prof. Gustaf Arrhenius and Saul Perez-Montano at Scripps Institution of Oceanography, in conducting XRD analysis and from Drs. Tilllack and Larsen, in supplying us with HYADES code. The authors also thank Calit2's Nano3 Lab and Scripps Institute of Oceanography for access to the SEM. NR 55 TC 14 Z9 14 U1 0 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD AUG PY 2011 VL 59 IS 13 BP 5276 EP 5287 DI 10.1016/j.actamat.2011.05.004 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 797GX UT WOS:000293113600022 ER PT J AU Levine, LE Geantil, P Larson, BC Tischler, JZ Kassner, ME Liu, WJ Stoudt, MR Tavazza, F AF Levine, Lyle E. Geantil, Peter Larson, Bennett C. Tischler, Jonathan Z. Kassner, Michael E. Liu, Wenjun Stoudt, Mark R. Tavazza, Francesca TI Disordered long-range internal stresses in deformed copper and the mechanisms underlying plastic deformation SO ACTA MATERIALIA LA English DT Article DE Internal stresses; Synchrotron diffraction; X-ray diffraction; Dislocation structure; Composite model ID SINGLE-CRYSTALS; METAL CRYSTALS; STRAIN; CELL; DIFFRACTION; RESOLUTION; CREEP AB The strength of wavy glide metals increases dramatically during deformation as dislocations multiply and entangle, forming dense dislocation wall structures. Numerous competing models have been proposed for this process but experimental validation and guidance for further model development require new experimental approaches capable of resolving local stresses within the dislocation microstructure. We use three-dimensional X-ray microscopy combining submicrometer spatial resolution with diffracted-beam masking to make direct measurements of axial elastic strain (and thus stress) in individual dislocation cell walls and their adjacent cell interiors in heavily deformed copper. These spatially resolved measurements show broad, asymmetric distributions of dipolar stresses that directly discriminate between long-standing deformation models and demonstrate that the distribution of local stresses is statistically connected to the global behavior through simple rules. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Levine, Lyle E.; Stoudt, Mark R.; Tavazza, Francesca] Natl Inst Stand & Technol, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Geantil, Peter; Kassner, Michael E.] Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA. [Larson, Bennett C.; Tischler, Jonathan Z.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Liu, Wenjun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Levine, LE (reprint author), Natl Inst Stand & Technol, Mat Measurement Lab, Gaithersburg, MD 20899 USA. EM lyle.levine@nist.gov RI Sanders, Susan/G-1957-2011 FU US Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division; National Science Foundation [DMR-901838]; DOE Office of Science [DE-AC02-06CH11357] FX Research at Oak Ridge National Laboratory and the University of Southern California was supported by the US Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division; M.E.K. acknowledges support from the National Science Foundation through DMR-901838; the XOR/UNI facilities on Sectors 33 and 34 at the APS are supported by the DOE Office of Science under Contract No. DE-AC02-06CH11357. NR 33 TC 21 Z9 21 U1 2 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD AUG PY 2011 VL 59 IS 14 BP 5803 EP 5811 DI 10.1016/j.actamat.2011.05.056 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 809YA UT WOS:000294091400041 ER PT J AU Osbun, N Li, J O'Driscoll, MC Strominger, Z Wakahiro, M Rider, E Bukshpun, P Boland, E Spurre, CH Schackwitz, W Pennacchio, LA Dobyns, WB Black, GCM Sherri, EH AF Osbun, Nathan Li, Jiang O'Driscoll, Mary C. Strominger, Zoe Wakahiro, Mari Rider, Eric Bukshpun, Polina Boland, Elena Spurre, Cailyn H. Schackwitz, Wendy Pennacchio, Len A. Dobyns, William B. Black, Graeme C. M. Sherri, Elliott H. TI Genetic and Functional Analyses Identify DISC1 as a Novel Callosal Agenesis Candidate Gene SO AMERICAN JOURNAL OF MEDICAL GENETICS PART A LA English DT Article DE agenesis of the corpus callosum; schizophrenia; genetics; DISC1 ID AUTISM SPECTRUM DISORDER; CORPUS-CALLOSUM; INTERSTITIAL DELETION; BEHAVIORAL PHENOTYPES; NEURITE OUTGROWTH; CHROMOSOME 1Q; AXON GUIDANCE; SCHIZOPHRENIA; ASSOCIATION; ABNORMALITIES AB Agenesis of the corpus callosum (AgCC) is a congenital brain malformation that occurs in approximately 1:1,000-1:6,000 births. Several syndromes associated with AgCC have been traced to single gene mutations; however, the majority of AgCC causes remain unidentified. We investigated a mother and two children who all shared complete AgCC and a chromosomal deletion at 1q42. We fine mapped this deletion and show that it includes Disrupted-in-Schizophrenia 1 (DISC1), a gene implicated in schizophrenia and other psychiatric disorders. Furthermore, we report a de novo chromosomal deletion at 1q42.13 to q44, which includes DISC1, in another individual with AgCC. We resequenced DISC1 in a cohort of 144 well-characterized AgCC individuals and identified 20 sequence changes, of which 4 are rare potentially pathogenic variants. Two of these variants were undetected in 768 control chromosomes. One of these is a splice site mutation at the 5' boundary of exon 11 that dramatically reduces full-length mRNA expression of DISC1, but not of shorter forms. We investigated the developmental expression of mouse DISC1 and find that it is highly expressed in the embryonic corpus callosum at a critical time for callosal formation. Taken together our results suggest a significant role for DISC1 in corpus callosum development. (C) Wiley-Liss, Inc. C1 [Black, Graeme C. M.] Univ Manchester, Cent Manchester Univ Hosp NHS Fdn Trust, St Marys Hosp, Manchester Acad Hlth Sci Ctr, Manchester M13 9WL, Lancs, England. [Osbun, Nathan; Li, Jiang; Strominger, Zoe; Wakahiro, Mari; Rider, Eric; Bukshpun, Polina; Sherri, Elliott H.] Univ Calif San Francisco, Dept Neurol, San Francisco, CA USA. [Spurre, Cailyn H.; Schackwitz, Wendy; Pennacchio, Len A.] US DOE, Joint Genome Inst, Walnut Creek, CA USA. [Dobyns, William B.] Univ Washington, Div Med Genet, Seattle, WA 98195 USA. RP Black, GCM (reprint author), Univ Manchester, Cent Manchester Univ Hosp NHS Fdn Trust, St Marys Hosp, Manchester Acad Hlth Sci Ctr, Oxford Rd, Manchester M13 9WL, Lancs, England. EM graeme.black@manchester.ac.uk; sherre@neuropeds.ucsf.edu OI Black, Graeme/0000-0001-8727-6592; Dobyns, William/0000-0002-7681-2844 FU NIH/NCRR UCSF-CTSI [UL1 RR024131]; NIHR (Manchester Biomedical Research Centre); NINDS [NS052192, NS058721]; Wellcome Trust FX Grant sponsor: NIH/NCRR UCSF-CTSI; Grant number: UL1 RR024131; Grant sponsor: NIHR (Manchester Biomedical Research Centre); Grant sponsor: NINDS; Grant numbers: NS052192, NS058721; Grant sponsor: Wellcome Trust. NR 58 TC 20 Z9 23 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1552-4825 EI 1552-4833 J9 AM J MED GENET A JI Am. J. Med. Genet. A PD AUG PY 2011 VL 155A IS 8 BP 1865 EP 1876 DI 10.1002/ajmg.a.34081 PG 12 WC Genetics & Heredity SC Genetics & Heredity GA 809WT UT WOS:000294088100013 PM 21739582 ER PT J AU Salje, EKH Safarik, DJ Lashley, JC Groat, LA Bismayer, U AF Salje, Ekhard K. H. Safarik, Douglas J. Lashley, Jason C. Groat, Lee A. Bismayer, Ulli TI Elastic softening of metamict titanite CaTiSiO5: Radiation damage and annealing SO AMERICAN MINERALOGIST LA English DT Article DE Titanite; resonant ultrasound spectroscopy; elastic moduli; metamict; Kramers-Kronig; heat capacity ID STRUCTURAL PHASE-TRANSITION; X-RAY-DIFFRACTION; ALPHA-DECAY DAMAGE; NUCLEAR-WASTE; SYNTHETIC TITANITE; IRRADIATED ZIRCON; NATURAL TITANITES; CRYSTAL-CHEMISTRY; BOUNDARIES; BIREFRINGENCE AB We have measured the elastic response of radiation-damaged titanite. CaTiSiO5, as a function of thermal annealing. We estimate the bulk inodulus of the damaged samples (similar to 24% amorphous) to be 85 GPa, which is much softer than for undamaged crystalline titanite [131.4 GPa; Angel et al. (1999)]. Conversely, the lowest shear modulus oldie radiation-damaged material is 52-58 GPa, which is harder that of the undamaged titanite, 46-52 GPa. The bulk and shear moduli of the radiation-damaged materials are close to those of thermal titanite glass, B-glass approximate to 75 GPa and G(glass) approximate to 47 GPa, and are much smaller than expected based on other radiation-damaged materials such as zircon (ZrSiO4). Surprisingly, annealing of the damaged titanite in the range 600 < T < 1000 K leads to additional massive softening of the shear moduli. During annealing the shear modulus of titan he sample I softened from 58 to 29 GPa, and sample 2 softened from 52 to 19 GPa. The temperature range for the softening coincides with that found for crystallization of the amorphous regions, as measured previously by diffraction and spectroscopic methods. In contrast to the huge softening of the ultrasonically measured shear modulus, the calorimetrically measured Debye temperature theta(D) increases by similar to 5%, suggesting a small intrinsic hardening of the acoustic shear modes. Additional heating to 1473 K leads, in one titanite sample, to a steep increase of the shear modulus to values much larger than that of the initial, radiation-damaged material. Theoretical models are discussed to rationalize the massive softening due to both radiation damage and subsequent anneal. C1 [Salje, Ekhard K. H.; Safarik, Douglas J.; Lashley, Jason C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Salje, Ekhard K. H.] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England. [Groat, Lee A.] Univ British Columbia, Vancouver, BC V6T 1Z4, Canada. [Bismayer, Ulli] Univ Hamburg, Mineral Petrog Inst, Hamburg, Germany. RP Salje, EKH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dsafarik@lanl.gov RI Salje, Ekhard/M-2931-2013; OI Salje, Ekhard/0000-0002-8781-6154; Safarik, Douglas/0000-0001-8648-9377 NR 48 TC 14 Z9 14 U1 2 U2 15 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD AUG-SEP PY 2011 VL 96 IS 8-9 BP 1254 EP 1261 DI 10.2138/am.2011.3747 PG 8 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 808QM UT WOS:000293993500008 ER PT J AU Labotka, TC Cole, DR Fayek, MJ Chacko, T AF Labotka, T. C. Cole, D. R. Fayek, M. J. Chacko, T. TI An experimental study of the diffusion of C and O in calcite in mixed CO2-H2O fluid SO AMERICAN MINERALOGIST LA English DT Article DE O isotope; C isotope; calcite; diffusion; experiment ID ATOMISTIC SIMULATION; OXYGEN DIFFUSION; ISOTOPIC EXCHANGE; WATER FUGACITY; SURFACE; CARBON; CO2; TEMPERATURE; ADSORPTION; SYSTEMS AB The diffusivity of C and O in calcite in mixed CO2-H2O fluid was determined over the range in XCO2 from 1.0 to about 0.2 at 700 degrees C, 100 MPa, with selected experiments conducted at pressures to 250 MPa and temperatures of 600 and 800 degrees C. The diffusivity of C, D-C, varies little wit XCO2, although there is some evidence for a slight increase in D-C from similar to 5 x 10(-18) to similar to 5 x 10(-17) cm(2)/s with decreasing Our data and those of others are consistent with a model for D-C proportional to 1/fCO(2). Despite the large uncertainty, we observed that the diffusivity of O, D-O, increases from similar to 2 x 10(16) to similar to 5 x 10(-14) cm(2)/s with XCO2 decreasing from 1.0 to 0. There is a good correlation at 700 degrees C between log D-O and logfH(2)O regardless of the total pressure, matching the observations of previous workers. The data are consistent with a simple two-component model for the diffusion of O in calcite, one component for diffusion in the presence of CO2 and one in the presence of H2O: D-O = D-O(2)CO : D-O(2)H(O) dH(2)O. The activity of H2O is relative to the fugacity at 100 MPa, 700 degrees C, D-O(2)CO is 3.45 x 10(-16), and D-O(2)H(O) is 3.8 x 10(-14) Cm-2/s. The data indicate that the rate of diffusion of C and O in calcite is controlled by reactions at the surface of calcite. Adsorption of H2O and the creation of vacancies at the surface account for the dependence of the diffusivity on the fugacity of the fluid components. There is little evidence that 11 itself diffuses into calcite. With this model and the values of D-O in pure CO2 (Labotka et al. 2000) and in pure H2O (Farver 1994), the value of D-O is predicted over the temperature range 600-800 degrees C and pH(2)O up to 300 MPa, the range of the data. Calculated closure temperatures for diffusive exchange of( between calcite and fluid are reduced by about 150 degrees C in the presence of an aqueous fluid. C1 [Labotka, T. C.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA. [Cole, D. R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Fayek, M. J.] Univ Manitoba, Dept Geol Sci, Winnipeg, MB R3T 2N2, Canada. [Chacko, T.] Univ Alberta, Dept Earth & Atmospher Sci, Edmonton, AB T6G 2E3, Canada. RP Labotka, TC (reprint author), Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA. EM tlabotka@utk.edu FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725] FX We benefited from discussions with L. Anovitz. We are grateful for the thoughtful reviews by D. Cherniak and T. Mueller. Funding was provided by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, Oak Ridge National Laboratory is managed and operated by UT-Batelle for the U.S. Department of Energy under contract DE-AC05-00OR22725. NR 47 TC 10 Z9 10 U1 2 U2 23 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD AUG-SEP PY 2011 VL 96 IS 8-9 BP 1262 EP 1269 DI 10.2138/am.2011.3738 PG 8 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 808QM UT WOS:000293993500009 ER PT J AU Lee, Y Seoung, D Jang, YN Bai, JM Lee, Y AF Lee, Yongmoon Seoung, Donghoon Jang, Young-Nam Bai, Jianming Lee, Yongjae TI Structural studies of NH4-exchanged natrolites at ambient conditions and high temperature SO AMERICAN MINERALOGIST LA English DT Article DE NH4-natrolite; dehydration; Rietveld refinement; crystal chemistry ID EFFECTIVE IONIC-RADII; EXCHANGED NATROLITES; CRYSTAL-STRUCTURE; DIFFRACTION; DEHYDRATION; REFINEMENT; MESOLITE; TETRANATROLITE; FLEXIBILITY; GONNARDITE AB We report here for the first time that fully and partially NH4-exchanged natrolites can be prepared in hydrated states using the solution exchange method with potassium-natrolite. The structural models or the as-prepared hydrated phases and their dehydrated forms at elevated temperature were relined in space group Fdd2 using in situ synchrotron X-ray powder diffraction data and Rietveld methods. The unit-cell volumes of the hydrated NH4-exchanged natrolites at ambient conditions. (NH4) Al16Si24O80 . 14.1(9)H2O and (NH4)(1:1),KAl16Si24O80 center dot 15.7(3)H2O, are found to be larger than that the original sodium-natrolite by ca. 15.6% and 12.8%, respectively. Upon temperature increase, the fully NH4-exchanged natrolite undergoes dehydration at ca. 150 degrees C with ca. 16.4% contraction in the unit-cell volume. The dehydrated phase of the fully NH4-exchanged natrolite exhibits marginal volume expansion up to 425 degrees C and then becomes amorphized during temperature decrease and exposure to atmospheric condition. In the case of the partially NH4-exchanged natrolite, the dehydration starts from ca. 175 degrees C with similar to 15.1% volume contraction and leads to a partial phase separation to show a phase related to the dehydrated K-natrolite. The degree of the phase separation decreases with temperature increase up to 475 degrees C, concomitant to the gradual volume contraction occurring in the partially NH4-exchanged natrolite in the dehydrared state. Upon temperature decrease and exposure to atmospheric condition, only the dehydrated K-natrolite is recovered as a crystalline phase from the partially NH4-exchanged natrolite. In the hydrated model of the fully NH4-exchanged natrolite, the ammonium cations and water molecules are statistically distributed along the elliptical channels. similar to the disordered pattern observed in natrolites exchanged with larger at metal cations such as the K-, Rb-, and Cs-forms. The dehydrated model of fully NH4-exchanged natrolite at 400 degrees C is essentially same as the one reported previously from the sample prepared by direct melt exchange method using sodium-natrolite. Both the hydrated and dehydrated structures of the partially NH4-exchanged natrolite at RT and at 400 degrees C respectively, are characterized by having two separate sites for the ammonium and potassium cations. Comparing the structural models of the monovalent cation forms studied so far, we find that the rotation angle of the natrolite chain is inversely proportional to the cation radius both in the hydrated and dehydrated phases. The distribution pattern of the non-framework species along the natrolite channel also seems to he related to the non-framework cation radius and hence to the chain rotation angle. C1 [Lee, Yongmoon; Seoung, Donghoon; Lee, Yongjae] Yonsei Univ, Dept Earth Syst Sci, Seoul 120749, South Korea. [Jang, Young-Nam] Korea Inst Geosci & Mineral Resources, Taejon 305350, South Korea. [Bai, Jianming] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Lee, Y (reprint author), Yonsei Univ, Dept Earth Syst Sci, Seoul 120749, South Korea. EM yongjaelee@yonsei.ac.kr RI Bai, Jianming/O-5005-2015; Lee, Yongjae/K-6566-2016 FU "Utilization and sequestration of CO2 by using industrial minerals" program; Ministry of Education, Science, and Technology (MEST) of the Korean Government; U.S. Department of Energy, Office of Basic Energy Sciences FX This work was supported by "Utilization and sequestration of CO2 by using industrial minerals" program. Y. Lee acknowledges the support by the Global Research Lab Program of the Ministry of Education, Science, and Technology (MEST) of the Korean Government. Y.L. and D.S. thank the support from the BK21 program to the Institute of Earth, Atmosphere, and Astronomy at Yonsei University. Research carried out in part at the NSLS at BNL is supported by the U.S. Department of Energy, Office of Basic Energy Sciences. NR 26 TC 3 Z9 3 U1 0 U2 9 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD AUG-SEP PY 2011 VL 96 IS 8-9 BP 1308 EP 1315 DI 10.2138/am.2011.3833 PG 8 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 808QM UT WOS:000293993500014 ER PT J AU Biennier, L Sabbah, H Chandrasekaran, V Klippenstein, SJ Sims, IR Rowe, BR AF Biennier, L. Sabbah, H. Chandrasekaran, V. Klippenstein, S. J. Sims, I. R. Rowe, B. R. TI Insights into the role of polycyclic aromatic hydrocarbon condensation in haze formation in Jupiter's atmosphere SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE planets and satellites: atmospheres; planets and satellites: individual: Jupiter ID POLAR ATMOSPHERE; BENZENE; ANTHRACENE; CHEMISTRY; CATIONS; PHOTOCHEMISTRY; TEMPERATURES; PRODUCTS; RADICALS; CLUSTERS AB Context. The haze in the atmosphere of Jupiter has been proposed to originate mostly from the condensation of low mass PAHs. Under this hypothesis, the transition of gas phase molecular species to solid particles is achieved by the formation of a critical nucleus composed of two small PAH molecules held together by van der Waals forces. Aims. Laboratory experiments coupled with theoretical calculations explore the thermodynamics and kinetics of PAH dimerization with the objective to assess this pathway in the production of nuclei of haze particles. Methods. We have performed experiments to identify the temperature range over which small PAH clusters form in supersaturated uniform supersonic flows. The kinetics of this formation has also been investigated. The chemical species present in the reactor are probed by a time-of-flight mass spectrometer equipped with a VUV laser for photoionisation of the neutral reagents and products. The experimental data were combined with theoretical calculations that employ careful consideration of the intermolecular interaction energies and intermolecular dynamics to estimate the binding energy, equilibrium constant, and rate constant. Results. We found that low-mass PAHs such as anthracene (C14H10) and pyrene (C16H10) can not homogeneously nucleate in the upper stratosphere at the altitude at which haze formation has been proposed to commence. Other chemical or physical processes should be considered to account for aerosol nuclei formation. C1 [Biennier, L.; Sabbah, H.; Chandrasekaran, V.; Sims, I. R.; Rowe, B. R.] Univ Rennes 1, Inst Phys Rennes, Equipe Astrochim Expt, CNRS,UMR 6251, F-35042 Rennes, France. [Sabbah, H.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Chandrasekaran, V.] Univ Bordeaux 1, Inst Mol Sci, CNRS, UMR 5255, F-33405 Talence, France. [Klippenstein, S. J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Biennier, L (reprint author), Univ Rennes 1, Inst Phys Rennes, Equipe Astrochim Expt, CNRS,UMR 6251, Campus Beaulieu, F-35042 Rennes, France. EM ludovic.biennier@univ-rennes1.fr RI Sabbah, Hassan/E-6202-2013; Chandrasekaran, Vijayanand/E-7341-2011; Sims, Ian/F-8989-2014; Biennier, Ludovic/O-1618-2014; OI Chandrasekaran, Vijayanand/0000-0002-8314-8611; Sims, Ian/0000-0001-7870-1585; Klippenstein, Stephen/0000-0001-6297-9187 FU Indo-French Centre for the Promotion of Advanced Research [3405-3]; French Programmes of Physique Stellaire and of Physique et Chimie du Milieu Interstellaire; NASA [NNH09AK24I]; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357] FX The authors thank I. W. M. Smith for fruitful discussions and S. Lebonnois for the calculation of the photon flux throughout the atmosphere. L. B. and B. R. R. acknowledge funding from the Indo-French Centre for the Promotion of Advanced Research (Project number 3405-3). This work is also supported by the French Programmes of Physique Stellaire and of Physique et Chimie du Milieu Interstellaire. The theoretical work (S.J.K.) has been supported by NASA's Planetary Atmospheres Program through grant NNH09AK24I and by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under Contract No. DE-AC02-06CH11357. We thank Amy Simon-Miller for providing CIRS temperature maps of Jupiter. We are finally very grateful to B. Bezard who greatly contributed through his remarks to the improvement of the manuscript. NR 33 TC 5 Z9 5 U1 3 U2 27 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 AUG PY 2011 VL 532 AR A40 DI 10.1051/0004-6361/201116653 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 799JS UT WOS:000293283600051 ER PT J AU Elzinga, EJ Gao, Y Fitts, JP Tappero, R AF Elzinga, Evert J. Gao, Yuan Fitts, Jeffrey P. Tappero, Ryan TI Iron speciation in urban dust SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Urban dust; Iron; Speciation; Micro-focused X-ray absorption; spectroscopy ID PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE ZN SPECIATION; ATMOSPHERIC AEROSOLS; EXAFS SPECTROSCOPY; ABSORPTION; OCEAN; PARTICULATE; SEDIMENTS; SCALE; SOIL AB An improved understanding of anthropogenic impacts on ocean fertility requires knowledge of anthropogenic dust mineralogy and associated Fe speciation as a critical step toward developing Fe solubility models constrained by mineralogical composition. This study explored the utility of micro-focused X-ray absorption spectroscopy (mu-XAS) in characterizing the speciation of Fe in urban dust samples. A micro-focused beam of 10 x 7 mu m made possible the measurement of the Fe K edge XAS spectra of individual dust particles in the PM5.6 size fraction collected in Newark, New Jersey, USA. Spectral analysis indicated the presence of mixtures of Fe-containing minerals within individual dust particles; we observed significant magnetite content along with other Fe(III)-(hydr)oxide minerals which could not be conclusively identified. Our data indicate that detailed quantitative determination of Fe speciation requires extended energy scans to constrain the types and relative abundance of Fe species present. We observe heterogeneity in Fe speciation at the dust particle level, which underscores the importance of analyzing a statistically adequate number of particles within each dust sample. Where possible, mu-XAS measurements should be complemented with additional characterization techniques such as mu-XRD and bulk XAS to obtain a comprehensive picture of the Fe speciation in dust materials. X-ray microprobes should be used to complement bulk methods used to determine particle composition, methods that fail to record particle heterogeneity. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Elzinga, Evert J.; Gao, Yuan] Rutgers State Univ, Dept Earth & Environm Sci, Newark, NJ 07102 USA. [Fitts, Jeffrey P.] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. [Tappero, Ryan] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Elzinga, EJ (reprint author), Rutgers State Univ, Dept Earth & Environm Sci, 101 Warren St, Newark, NJ 07102 USA. EM elzinga@andromeda.rutgers.edu RI Fitts, Jeffrey/J-3633-2012 FU U.S. Department of Energy (DOE) - Geosciences [DE-FG02-92ER14244]; BNL - Environmental Sciences; DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was performed at Beamline X27A, National Synchrotron Light Source (NSLS), Brookhaven National Laboratory (BNL). X27A is supported in part by the U.S. Department of Energy (DOE) - Geosciences (DE-FG02-92ER14244 to The University of Chicago - CARS) and BNL - Environmental Sciences. Use of the NSLS was supported by the DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. We further thank Kumi Pandya (NSLS beamline X11A) for assistance during XAS data collection of the references, and two anonymous reviewers whose comments helped improve this paper. NR 26 TC 12 Z9 12 U1 4 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2011 VL 45 IS 26 BP 4528 EP 4532 DI 10.1016/j.atmosenv.2011.05.042 PG 5 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 804US UT WOS:000293680100022 ER PT J AU Chin, ML Ytterberg, AJ Loo, RRO Loo, JA Monbouquette, HG AF Chin, May L. Ytterberg, A. Jimmy Loo, Rachel R. Ogorzalek Loo, Joseph A. Monbouquette, Harold G. TI Characterization of Morphine-Glucose-6-phosphate Dehydrogenase Conjugates by Mass Spectrometry SO BIOCONJUGATE CHEMISTRY LA English DT Article ID LEUCONOSTOC-MESENTEROIDES GLUCOSE-6-PHOSPHATE-DEHYDROGENASE; HOMOGENEOUS ENZYME-IMMUNOASSAY; SEQUENCE; BINDING; PEPTIDE; SERUM AB A key characteristic of the analyte-reporter enzyme conjugate used in the enzyme-multiplied immunoassay technique (EMIT) is the inhibition of the conjugate enzyme upon anti-analyte antibody binding. To improve our understanding of the antibody-induced inhibition mechanism, we characterized morphine-glucose-6-phosphate dehydrogenase (G6PDH) conjugates as model EMIT analyte-reporter enzyme conjugates. Morphine-G6PDH conjugates were prepared by acylating predominantly the primary amines on G6PDH with morphine 3-glucuronide NHS ester molecules. In this study, morphine-G6PDH conjugates were characterized using a combination of methods, including tryptic digestion, immunoprecipitation, matrix-assisted laser desorption ionization mass spectrometry, and electrospray ionization tandem mass spectrometry. Twenty-six conjugation sites were identified. The identified sites all were found to be primary amines. The degree of conjugation was determined to be less than the number of conjugation sites, suggesting heterogeneity within the morphine-G6PDH conjugate population. Two catalytically important residues in the active site (K22 and K183) were among the identified conjugation sites, explaining at least partially the cause of loss of activity due to the coupling reaction. C1 [Chin, May L.; Monbouquette, Harold G.] Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA. [Ytterberg, A. Jimmy; Loo, Joseph A.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Loo, Rachel R. Ogorzalek; Loo, Joseph A.] Univ Calif Los Angeles, Mol Biol Inst, David Geffen Sch Med, Los Angeles, CA 90095 USA. [Loo, Rachel R. Ogorzalek; Loo, Joseph A.] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. RP Monbouquette, HG (reprint author), Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA. EM hmonbouq@ucla.edu RI Ytterberg, Anders/E-1773-2016 OI Ytterberg, Anders/0000-0002-1485-2314 FU W. M. Keck Foundation; National Institutes of Health [R01 RR 20004] FX The UCLA Mass Spectrometry and Proteomics Technology Center was established with a grant from the W. M. Keck Foundation. J.A.L. acknowledges support from the National Institutes of Health (R01 RR 20004). NR 29 TC 0 Z9 0 U1 0 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1043-1802 J9 BIOCONJUGATE CHEM JI Bioconjugate Chem. PD AUG PY 2011 VL 22 IS 8 BP 1595 EP 1604 DI 10.1021/bc2001352 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 809SC UT WOS:000294076000016 ER PT J AU Kwon, MJ O'Loughlin, EJ Antonopoulos, DA Finneran, KT AF Kwon, Man Jae O'Loughlin, Edward J. Antonopoulos, Dionysios A. Finneran, Kevin T. TI Geochemical and microbiological processes contributing to the transformation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in contaminated aquifer material SO CHEMOSPHERE LA English DT Article DE RDX; Biodegradation; Electron donor; Abiotic reduction; Iron reduction ID SULFATE-REDUCING BACTERIA; REDUCTIVE TRANSFORMATION; SP-NOV.; ANAEROBIC BIODEGRADATION; ABIOTIC TRANSFORMATION; ELECTRON-DONORS; DEGRADATION; IRON; BIOTRANSFORMATION; EXPLOSIVES AB Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) is a potential human carcinogen, and its contamination of subsurface environments is a significant threat to public health. This study investigated abiotic and biological degradation of RDX in contaminated aquifer material. Anoxic batch systems were started with and without pre-aeration of aquifer material to distinguish initial biological RDX reduction from abiotic RDX reduction. Aerating the sediment eliminated chemical reductants in the native aquifer sediment, primarily Fe(II) sorbed to mineral surfaces. RDX (50 mu M) was completely reduced and transformed to ring cleavage products when excess concentrations (2 mM) of acetate or lactate were provided as the electron donor for aerated sediment. RDX was reduced concurrently with Fe(III) when acetate was provided, while RDX, Fe(III), and sulfate were reduced simultaneously with lactate amendment. Betaproteobacteria were the dominant microorganisms associated with RDX and Fe(III)/sulfate reduction. In particular, Rhodoferax spp. increased from 21% to 35% and from 28% to 60% after biostimulation by acetate and lactate, respectively. Rarefaction analyses demonstrated that microbial diversity decreased in electron-donor-amended systems with active RDX degradation. Although significant amounts of Fe(III) and/or sulfate were reduced after biostimulation, solid-phase reactive minerals such as magnetite or ferrous sulfides were not observed, suggesting that RDX reduction in the aquifer sediment is due to Fe(II) adsorbed to solid surfaces as a result of Fe(III)-reducing microbial activity. These results suggest that both biotic and abiotic processes play an important role in RDX reduction under in situ conditions. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Kwon, Man Jae] Korea Inst Sci & Technol, Gangneung Inst, Kangnung, South Korea. [Kwon, Man Jae; O'Loughlin, Edward J.; Antonopoulos, Dionysios A.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Finneran, Kevin T.] Clemson Univ, Environm Engn & Earth Sci, Clemson, SC USA. [Kwon, Man Jae] Univ Illinois, Urbana, IL 61801 USA. RP Kwon, MJ (reprint author), Korea Inst Sci & Technol, Gangneung Inst, 679 Saimdangro, Kangnung, South Korea. EM mankwon73@gmail.com RI O'Loughlin, Edward/C-9565-2013 OI O'Loughlin, Edward/0000-0003-1607-9529 FU US Department of Defense [ER-1377]; Argonne National Laboratory LDRD; Argonne Director's Fellowship Program; KIST - Gangneung Institute [2E22100] FX We thank Karen Haugen and the anonymous reviewers for their thoughtful reviews of the manuscript. We thank Kelly Skinner, Brandon Bates, Aaron Garoutte, Jennifer Brulc (Argonne National Laboratory), Kay Millerick, and Jovan Popovic (Clemson University) for laboratory assistance. This work was supported in part by the US Department of Defense Strategic Environmental Research and Development Program (SERDP) Project Number ER-1377. Microbial community analyses work was supported by Argonne National Laboratory LDRD Funds. M.J.K. was supported by Argonne Director's Fellowship Program and KIST - Gangneung Institute (Grant No. 2E22100). NR 45 TC 12 Z9 13 U1 1 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD AUG PY 2011 VL 84 IS 9 BP 1223 EP 1230 DI 10.1016/j.chemosphere.2011.05.027 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 810RS UT WOS:000294145400009 PM 21664641 ER PT J AU Flores, GE Campbell, JH Kirshtein, JD Meneghin, J Podar, M Steinberg, JI Seewald, JS Tivey, MK Voytek, MA Yang, ZK Reysenbach, AL AF Flores, Gilberto E. Campbell, James H. Kirshtein, Julie D. Meneghin, Jennifer Podar, Mircea Steinberg, Joshua I. Seewald, Jeffrey S. Tivey, Margaret Kingston Voytek, Mary A. Yang, Zamin K. Reysenbach, Anna-Louise TI Microbial community structure of hydrothermal deposits from geochemically different vent fields along the Mid-Atlantic Ridge SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID EAST PACIFIC RISE; DEEP-SEA; LUCKY-STRIKE; EPSILON-PROTEOBACTERIA; ULTRAMAFIC ROCKS; PHASE-SEPARATION; PHYLOGENETIC DIVERSITY; RARE BIOSPHERE; SEQUENCE DATA; BLACK SMOKER AB To evaluate the effects of local fluid geochemistry on microbial communities associated with active hydrothermal vent deposits, we examined the archaeal and bacterial communities of 12 samples collected from two very different vent fields: the basalt-hosted Lucky Strike (37 degrees 17'N, 32 degrees 16.3'W, depth 1600-1750 m) and the ultramafic-hosted Rainbow (36 degrees 13'N, 33 degrees 54.1'W, depth 2270-2330 m) vent fields along the Mid-Atlantic Ridge (MAR). Using multiplexed barcoded pyrosequencing of the variable region 4 (V4) of the 16S rRNA genes, we show statistically significant differences between the archaeal and bacterial communities associated with the different vent fields. Quantitative polymerase chain reaction (qPCR) assays of the functional gene diagnostic for methanogenesis (mcrA), as well as geochemical modelling to predict pore fluid chemistries within the deposits, support the pyrosequencing observations. Collectively, these results show that the less reduced, hydrogen-poor fluids at Lucky Strike limit colonization by strict anaerobes such as methanogens, and allow for hyperthermophilic microaerophiles, like Aeropyrum. In contrast, the hydrogen-rich reducing vent fluids at the ultramafic-influenced Rainbow vent field support the prevalence of methanogens and other hydrogen-oxidizing thermophiles at this site. These results demonstrate that biogeographical patterns of hydrothermal vent microorganisms are shaped in part by large scale geological and geochemical processes. C1 [Flores, Gilberto E.; Meneghin, Jennifer; Reysenbach, Anna-Louise] Portland State Univ, Dept Biol, Portland, OR 97201 USA. [Campbell, James H.; Podar, Mircea; Yang, Zamin K.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37830 USA. [Kirshtein, Julie D.; Voytek, Mary A.] US Geol Survey, Reston, VA 20192 USA. [Steinberg, Joshua I.] Oregon Episcopal Sch, Portland, OR 97223 USA. [Seewald, Jeffrey S.; Tivey, Margaret Kingston] Woods Hole Oceanog Inst, Marine Chem & Geochem Dept, Woods Hole, MA 02543 USA. [Voytek, Mary A.] NASA, Washington, DC 20546 USA. RP Reysenbach, AL (reprint author), Portland State Univ, Dept Biol, Portland, OR 97201 USA. EM reysenbacha@pdx.edu OI Podar, Mircea/0000-0003-2776-0205 FU United States National Science Foundation [OCE-0728391, OCE-0937404, OCE-0937392, OCE-0549829]; Water Resources Division, USGS; Oak Ridge National Laboratory (ORNL); US Department of Energy [DE-AC05-00OR22725] FX We thank the crew of the R/V Roger Revelle and the DSROV Jason II for their assistance in obtaining the samples. This research was supported by the United States National Science Foundation (OCE-0728391 and OCE-0937404 to A.-L. R.; OCE-0937392 to M. K. T.; OCE-0549829 to J.S.S.) and the US National Research Program, Water Resources Division, USGS (M. A. V. and J.D.K.). J.H.C., Z.K.Y. and M. P. were sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC for the US Department of Energy under Contract No. DE-AC05-00OR22725. NR 73 TC 68 Z9 70 U1 6 U2 70 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD AUG PY 2011 VL 13 IS 8 BP 2158 EP 2171 DI 10.1111/j.1462-2920.2011.02463.x PG 14 WC Microbiology SC Microbiology GA 809RY UT WOS:000294075600018 PM 21418499 ER PT J AU Mueller, RS Dill, BD Pan, CL Belnap, CP Thomas, BC VerBerkmoes, NC Hettich, RL Banfield, JF AF Mueller, Ryan S. Dill, Brian D. Pan, Chongle Belnap, Christopher P. Thomas, Brian C. VerBerkmoes, Nathan C. Hettich, Robert L. Banfield, Jillian F. TI Proteome changes in the initial bacterial colonist during ecological succession in an acid mine drainage biofilm community SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID NATURAL MICROBIAL COMMUNITY; ESCHERICHIA-COLI; GENE-EXPRESSION; CORYNEBACTERIUM-GLUTAMICUM; SACCHAROMYCES-CEREVISIAE; SHOTGUN PROTEOMICS; GLOBAL ANALYSIS; RECONSTRUCTION; DISCRIMINATION; TRANSCRIPTOME AB Proteomes of acid mine drainage biofilms at different stages of ecological succession were examined to understand microbial responses to changing community membership. We evaluated the degree of reproducibility of the community proteomes between samples of the same growth stage and found stable and predictable protein abundance patterns across time and sampling space, allowing for a set of 50 classifier proteins to be identified for use in predicting growth stages of undefined communities. Additionally, physiological changes in the dominant species, Leptospirillum Group II, were analysed as biofilms mature. During early growth stages, this population responds to abiotic stresses related to growth on the acid mine drainage solution. Enzymes involved in protein synthesis, cell division and utilization of 1- and 2-carbon compounds were more abundant in early growth stages, suggesting rapid growth and a reorganization of metabolism during biofilm initiation. As biofilms thicken and diversify, external stresses arise from competition for dwindling resources, which may inhibit cell division of Leptospirillum Group II through the SOS response. This population also represses translation and synthesizes more complex carbohydrates and amino acids in mature biofilms. These findings provide unprecedented insight into the physiological changes that may result from competitive interactions within communities in natural environments. C1 [Mueller, Ryan S.; Belnap, Christopher P.; Thomas, Brian C.; Banfield, Jillian F.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Dill, Brian D.; Pan, Chongle; VerBerkmoes, Nathan C.; Hettich, Robert L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Mueller, RS (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM rmueller@berkeley.edu RI Hettich, Robert/N-1458-2016; OI Hettich, Robert/0000-0001-7708-786X; Dill, Brian/0000-0002-4532-3044 FU Department of Energy [DOE-AC05-00OR22725]; Genomics [DE-FG02-05ER64134]; U.S. Department of Energy, Office of Science [DE-SC0004665] FX We thank Mr T. W. Arman, President, Iron Mountain Mines and Dr R. Sugarek, EPA, for site access and Mr R. Carver for on-site assistance. Oak Ridge National Laboratory is managed by University of Tennessee-Battelle LLC for the Department of Energy under contract DOE-AC05-00OR22725. This project was funded by Grant No. DE-FG02-05ER64134 Genomics: GTL project and Carbon-Cycling Grant No. DE-SC0004665 from the U.S. Department of Energy, Office of Science. NR 69 TC 29 Z9 29 U1 2 U2 33 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD AUG PY 2011 VL 13 IS 8 BP 2279 EP 2292 DI 10.1111/j.1462-2920.2011.02486.x PG 14 WC Microbiology SC Microbiology GA 809RY UT WOS:000294075600026 PM 21518216 ER PT J AU Lefevre, CT Frankel, RB Posfai, M Prozorov, T Bazylinski, DA AF Lefevre, Christopher T. Frankel, Richard B. Posfai, Mihaly Prozorov, Tanya Bazylinski, Dennis A. TI Isolation of obligately alkaliphilic magnetotactic bacteria from extremely alkaline environments SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIUM; DISSIMILATORY ARSENATE REDUCTION; SHALLOW-WATER CARBONATES; MAGNETOSOME FORMATION; SODA LAKES; MONO LAKE; SP NOV.; GROWTH; PROKARYOTES; CALIFORNIA AB Large numbers of magnetotactic bacteria were discovered in mud and water samples collected from a number of highly alkaline aquatic environments with pH values of similar to 9.5. These bacteria were helical in morphology and biomineralized chains of bullet-shaped crystals of magnetite and were present in all the highly alkaline sites sampled. Three strains from different sites were isolated and cultured and grew optimally at pH 9.0-9.5 but not at 8.0 and below, demonstrating that these organisms truly require highly alkaline conditions and are not simply surviving/growing in neutral pH micro-niches in their natural habitats. All strains grew anaerobically through the reduction of sulfate as a terminal electron acceptor and phylogenetic analysis, based on 16S rRNA gene sequences, as well as some physiological features, showed that they could represent strains of Desulfonatronum thiodismutans, a known alkaliphilic bacterium that does not biomineralize magnetosomes. Our results show that some magnetotactic bacteria can be considered extremophilic and greatly extend the known ecology of magnetotactic bacteria and the conditions under which they can biomineralize magnetite. Moreover, our results show that this type of magnetotactic bacterium is common in highly alkaline environments. Our findings also greatly influence the interpretation of the presence of nanometer-sized magnetite crystals, so-called magnetofossils, in highly alkaline environments. C1 [Lefevre, Christopher T.; Bazylinski, Dennis A.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. [Frankel, Richard B.] Calif Polytech State Univ San Luis Obispo, Dept Phys, San Luis Obispo, CA 93407 USA. [Posfai, Mihaly] Univ Pannonia, Dept Earth & Environm Sci, H-8200 Veszprem, Hungary. [Prozorov, Tanya] Ames Lab, US Dept Energy, Ames, IA 50011 USA. RP Bazylinski, DA (reprint author), Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. EM dennis.bazylinski@unlv.edu RI Posfai, Mihaly/C-1792-2012; Lefevre, Christopher/H-6072-2013 OI Posfai, Mihaly/0000-0001-9355-3533; FU U.S. National Science Foundation (NSF) [EAR-0715492]; U.S. Department of Energy [DE-AC02-07CH11358] FX We thank F. Mahlaoui and F. Abreu for help with sampling, E. V. Pikuta for providing us with a culture of D. thiodismutans strain MLF1T and R. V. Morris for helpful discussions. We are also grateful to the helpful staff of the Mono Lake Tufa State Natural Reserve. Samples were collected under Permit to Conduct Biological, Geological, or Soil Investigations/Collections number 2010-21 issued by the State of California Department of Parks and Recreation. This work was supported by U.S. National Science Foundation (NSF) Grant EAR-0715492. Part of the transmission electron microscope analysis, was carried out at the Ames Laboratory, and was supported by the U.S. Department of Energy's Basic Energy Sciences program under contract No. DE-AC02-07CH11358. NR 53 TC 26 Z9 28 U1 2 U2 41 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD AUG PY 2011 VL 13 IS 8 BP 2342 EP 2350 DI 10.1111/j.1462-2920.2011.02505.x PG 9 WC Microbiology SC Microbiology GA 809RY UT WOS:000294075600032 PM 21605309 ER PT J AU Zhou, JY Dann, GP Liew, CW Smith, RD Kulkarni, RN Qian, WJ AF Zhou, Jian-Ying Dann, Geoffrey P. Liew, Chong Wee Smith, Richard D. Kulkarni, Rohit N. Qian, Wei-Jun TI Unraveling pancreatic islet biology by quantitative proteomics SO EXPERT REVIEW OF PROTEOMICS LA English DT Review DE diabetes; insulin resistance; pancreatic beta cells; pancreatic islets; quantitative proteomics; signaling pathway ID 2-DIMENSIONAL GEL-ELECTROPHORESIS; SPECTROMETRY-BASED PROTEOMICS; BETA-CELL APOPTOSIS; CHROMATOGRAPHY-MASS SPECTROMETRY; DIFFERENTIAL PROTEIN EXPRESSION; IN-VIVO; INSULIN-SECRETION; ELEVATED GLUCOSE; OXIDATIVE STRESS; ACCURATE MASS AB The pancreatic islets of Langerhans play a critical role in maintaining blood glucose homeostasis by secreting insulin and several other important peptide hormones. Impaired insulin secretion due to islet dysfunction is linked to the pathogenesis underlying both Type 1 and Type 2 diabetes. Over the past 5 years, emerging proteomic technologies have been applied to dissect the signaling pathways that regulate islet functions and gain an understanding of the mechanisms of islet dysfunction relevant to diabetes. Herein, we briefly review some of the recent quantitative proteomic studies involving pancreatic islets geared towards gaining a better understanding of islet biology relevant to metabolic diseases. C1 [Zhou, Jian-Ying; Dann, Geoffrey P.; Smith, Richard D.; Qian, Wei-Jun] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Liew, Chong Wee] Harvard Univ, Sch Med, Div Cell & Mol Physiol, Joslin Diabet Ctr,Dept Med, Boston, MA 02215 USA. [Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Qian, WJ (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM weijun.qian@pnl.gov RI Zhou, Jian-Ying/D-1308-2012; Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU National Institutes of Health [R01DK074795, RR018522]; DOE [DE-AC05-76RLO1830] FX Portions of this research were supported by National Institutes of Health grants R01DK074795 and RR018522. Experimental work was performed in the Environmental Molecular Sciences Laboratory, a US Department of Energy (DOE) Office of Biological and Environmental Research national scientific user facility on the Pacific Northwest National Laboratory (PNNL) campus. PNNL is a multiprogram national laboratory operated by Battelle for the DOE under Contract No. DE-AC05-76RLO1830. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed. NR 87 TC 5 Z9 5 U1 0 U2 6 PU EXPERT REVIEWS PI LONDON PA UNITEC HOUSE, 3RD FL, 2 ALBERT PLACE, FINCHLEY CENTRAL, LONDON N3 1QB, ENGLAND SN 1478-9450 J9 EXPERT REV PROTEOMIC JI Expert Rev. Proteomics PD AUG PY 2011 VL 8 IS 4 BP 495 EP 504 DI 10.1586/EPR.11.39 PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 810PX UT WOS:000294139500013 PM 21819304 ER PT J AU Eng, CD AF Eng, Chester D. TI Development of the Time Dependence of the Nuclear (E1) HEMP Electric Field SO IEEE TRANSACTIONS ON ELECTROMAGNETIC COMPATIBILITY LA English DT Article DE EM analysis; EMP radiation effects; high altitude electromagnetic pulse (HEMP); nuclear explosions; radiative interference ID EXPLOSIONS; RADIATION AB The early time (E1) nuclear high altitude electromagnetic pulse electric field calculated with the code CHAP is compared with the field given by an integral solution of Maxwell's equations, also known as the Jefimenko equation, to aid our current understanding on the factors that affect the time dependence of the electromagnetic pulse (EMP). For a fair comparison the CHAP current density is used as a source in the Jefimenko equation. At first, the comparison is simplified by neglecting the conduction current and replacing the standard atmosphere with a constant density air slab. The simplicity of the resultant current density aids in determining the factors that affect the rise, peak and tail of the EMP electric field versus time. The explicit 3-D approach of the Jefimenko equation confirms the importance, as described in the high-frequency approximation, of sources off the line-of-sight and the time dependence of the time derivative of the current density in shaping the EMP electric field time dependence. This conclusion also holds when the conduction current and the standard atmosphere are properly accounted for. Comparison of the CHAP electric field with the Jefimenko electric field is also another way to validate the equations developed under the high-frequency/outgoing wave approximation. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Eng, CD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM ceng@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE [NA-22] FX This work was supported in part by the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and in part by the DOE NA-22. NR 17 TC 3 Z9 3 U1 3 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9375 J9 IEEE T ELECTROMAGN C JI IEEE Trans. Electromagn. Compat. PD AUG PY 2011 VL 53 IS 3 BP 737 EP 748 DI 10.1109/TEMC.2011.2115249 PG 12 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 810NJ UT WOS:000294131700021 ER PT J AU Oh, H AF Oh, HyungSeon TI Optimal Planning to Include Storage Devices in Power Systems SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE DC power flow; optimal power flow (OPF); power transfer distribution factor (PTDF); storage devices; variable energy resources ID ENERGY-STORAGE; SIMULATION AB It is difficult to forecast renewable energy resources due to their variability. High uncertainty of the resources increases the concern about the reliable operation of the electric power system. Storage devices have been considered a candidate to control variable energy resources, and most studies on storage devices are performed in the economic dispatch. Therefore, electric power adequacy may be an issue. In this paper, a new approach in the optimal power flow framework is proposed for deploying storage devices, and the feasibility and economic impact analyses are discussed. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Oh, H (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM hyungseon.oh@nrel.gov FU U.S. Department of Energy FX This work was supported by the U.S. Department of Energy. Paper no. TPWRS-00913-2009. NR 22 TC 41 Z9 41 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD AUG PY 2011 VL 26 IS 3 BP 1118 EP 1128 DI 10.1109/TPWRS.2010.2091515 PG 11 WC Engineering, Electrical & Electronic SC Engineering GA 805FK UT WOS:000293711700016 ER PT J AU Kondoh, J Lu, N Hammerstrom, DJ AF Kondoh, Junji Lu, Ning Hammerstrom, Donald J. TI An Evaluation of the Water Heater Load Potential for Providing Regulation Service SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Demand response; demand-side management; direct load control; electric water heaters; regulation service; wind power integration ID STATE-QUEUING MODEL; SYSTEM; MANAGEMENT AB This paper investigates the possibility of providing aggregated regulation services with small loads, such as water heaters or air conditioners. A direct-load control algorithm is presented to aggregate the water heater load for the purpose of regulation. A dual-element electric water heater model is developed, which accounts for both thermal dynamics and users' water consumption. A realistic regulation signal was used to evaluate the number of water heaters needed and the operational characteristics of a water heater when providing 2-MW regulation service. Modeling results suggest that approximately 33 000 water heaters are needed to provide a 2-MW regulation service 24 hours a day. However, if water heaters only provide regulation from 6:00 to 24:00, approximately 20 000 will be needed. Because the control algorithm has considered the thermal setting of the water heater, customer comfort is maintained. Therefore, the aggregated regulation service provided by water heater loads can become a major source of revenue for load-serving entities when the smart grid enables the direct load control. C1 [Kondoh, Junji] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058568, Japan. [Lu, Ning; Hammerstrom, Donald J.] Pacific NW Natl Lab, Energy Sci & Technol Div, Richland, WA 99352 USA. RP Kondoh, J (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058568, Japan. EM j.kondoh@aist.go.jp; ning.lu@pnl.gov; donald.hammerstrom@pnl.gov FU U.S. Department of Energy by Battelle [DE-AC05-76RL01830] FX This work was conducted by Pacific Northwest National Laboratory, which is operated for the U.S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. Paper no. TPWRS-00047-2010. NR 30 TC 85 Z9 91 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD AUG PY 2011 VL 26 IS 3 BP 1309 EP 1316 DI 10.1109/TPWRS.2010.2090909 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA 805FK UT WOS:000293711700035 ER PT J AU Zheng, P Chin, TL Greve, D Oppenheim, I Malone, V Cao, LM AF Zheng, Peng Chin, Tao-Lun Greve, David Oppenheim, Irving Malone, Vanessa Cao, Limin TI High-Temperature Langasite SAW Oxygen Sensor SO IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL LA English DT Article AB High-temperature langasite SAW oxygen sensors using sputtered ZnO as a resistive gas-sensing layer were fabricated and tested. Sensitivity to oxygen gas was observed between 500 degrees C to 700 degrees C, with a sensitivity peak at about 625 degrees C, consistent with the theoretical predictions of the acoustoelectric effect. C1 [Zheng, Peng; Chin, Tao-Lun; Greve, David; Oppenheim, Irving] Carnegie Mellon Univ, Natl Energy Technol Lab, Pittsburgh, PA 15213 USA. [Zheng, Peng] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Chin, Tao-Lun; Greve, David; Cao, Limin] Carnegie Mellon Univ, Dept Elect & Comp Engn, Pittsburgh, PA 15213 USA. [Oppenheim, Irving; Malone, Vanessa] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. RP Zheng, P (reprint author), Carnegie Mellon Univ, Natl Energy Technol Lab, Pittsburgh, PA 15213 USA. EM pengzheng@alumni.cmu.edu RI Cao, Limin/H-8228-2015 FU National Energy Technology Laboratory [DE-FE0004000] FX Manuscript received June 5, 2010; accepted June 9, 2011. This work was performed in support of ongoing research on sensors for carbon capture systems at the National Energy Technology Laboratory under RES contract DE-FE0004000. NR 7 TC 10 Z9 10 U1 1 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-3010 J9 IEEE T ULTRASON FERR JI IEEE Trans. Ultrason. Ferroelectr. Freq. Control PD AUG PY 2011 VL 58 IS 8 BP 1538 EP 1540 DI 10.1109/TUFFC.2011.1979 PG 3 WC Acoustics; Engineering, Electrical & Electronic SC Acoustics; Engineering GA 811AY UT WOS:000294175100002 PM 21859571 ER PT J AU Wirth, BD Stanek, CR Edsinger, K AF Wirth, B. D. Stanek, C. R. Edsinger, K. TI Perspective on Modeling Light Water Reactor Fuel Performance SO JOM LA English DT Editorial Material C1 [Wirth, B. D.] Univ Tennessee, Knoxville, TN 37996 USA. [Edsinger, K.] Elect Power Res Inst, Palo Alto, CA USA. [Stanek, C. R.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Wirth, BD (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM bdwirth@utk.edu RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 NR 0 TC 4 Z9 4 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD AUG PY 2011 VL 63 IS 8 BP 48 EP 52 PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810GR UT WOS:000294114300011 ER PT J AU Edsinger, K Stanek, CR Wirth, BD AF Edsinger, K. Stanek, C. R. Wirth, B. D. TI Light Water Reactor Fuel Performance: Current Status, Challenges, and Future High Fidelity Modeling SO JOM LA English DT Article AB There is a long-standing tie between modeling and nuclear fuel performance, from predicting core physics to optimizing the fuel reloading pattern to designing safety margins into fuel assemblies. This paper reviews current fuel performance and fuel reliability challenges facing the industry, including a description of the most common fuel failure mechanisms observed in pressurized water reactors. A description of a new Energy Innovation Hub, the Consortium for Advanced Simulation of Light Water Reactors (CASL), funded by the Department of Energy is then provided that introduces an approach to utilize high performance computing to investigate the coupled physics controlling nuclear fuel performance. The article concludes by summarizing the future challenges of modeling nuclear fuel behavior addressed by the CASL program. C1 [Edsinger, K.] Elect Power Res Inst, Palo Alto, CA USA. [Stanek, C. R.] Los Alamos Natl Lab, Los Alamos, NM USA. [Wirth, B. D.] Univ Tennessee, Knoxville, TN USA. RP Edsinger, K (reprint author), Elect Power Res Inst, Palo Alto, CA USA. EM bdwirth@utk.edu RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 FU Consortium for Advanced Simulation of Light Water Reactors, an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy [DE-AC05-00OR22725] FX This research was supported by the Consortium for Advanced Simulation of Light Water Reactors (www.casl.gov), an Energy Innovation Hub (http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-AC05-00OR22725. NR 1 TC 2 Z9 2 U1 2 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD AUG PY 2011 VL 63 IS 8 BP 53 EP 56 PG 4 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810GR UT WOS:000294114300012 ER PT J AU Lu, RY Karoutas, Z Sham, TL AF Lu, Roger Y. Karoutas, Zeses Sham, T. -L. TI CASL Virtual Reactor Predictive Simulation: Grid-to-Rod Fretting Wear SO JOM LA English DT Article AB Grid-to-Rod Fretting (GTRF) wear is currently one of the main causes of fuel rod leaking in pressurized water reactors. The Consortium for Advanced Simulation of Light Water Reactors (CASL) has identified GTRF as one of the Challenge Problems that drive the requirement for the development and application of a modeling and simulation computational environment for predictive simulation of light water reactors. This paper presents fretting wear simulation methodology currently employed by Westinghouse, a CASL industrial partner, to address GTRF. The required advancements in the computational and materials science modeling areas to develop a predictive simulation environment by CASL to address GTRF are outlined. C1 [Lu, Roger Y.; Karoutas, Zeses] Westinghouse Elect Co, Columbia, SC USA. [Sham, T. -L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Lu, RY (reprint author), Westinghouse Elect Co, Columbia, SC USA. EM lur@westinghouse.com; shamt@ornl.gov FU Office of Nuclear Energy, the U.S. Department of Energy [DE-AC05-00OR22725]; Oak Ridge National Laboratory FX We are happy to acknowledge helpful discussions with many CASL colleagues: B. Wirth (University of Tennessee), A. Hayrapetian, M. Demkowicz (MIT), A. El-Azab (Florida State University), R. Montgomery (TVA), R. Stoller, P. Blau, S. Pannala, J. Turner (ORNL), W. Lu, M. Thouless (University of Michigan), R. Summers, N. Crane, W. Rider (SNL), and C. Tome, R. Lowrie, C. Stanek (LANL). The work of T.-L. Sham was sponsored by the Office of Nuclear Energy, the U.S. Department of Energy, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 5 TC 3 Z9 3 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD AUG PY 2011 VL 63 IS 8 BP 57 EP 62 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810GR UT WOS:000294114300013 ER PT J AU Deshon, J Hussey, D Kendrick, B McGurk, J Secker, J Short, M AF Deshon, Jeff Hussey, Dennis Kendrick, Brian McGurk, John Secker, Jeff Short, Michael TI Pressurized Water Reactor Fuel Crud and Corrosion Modeling SO JOM LA English DT Article AB Pressurized water reactors circulate high-temperature water that slowly corrodes Inconel and stainless steel system surfaces, and the nickel/iron based corrosion products deposit in regions of the fuel where sub-cooled nucleate boiling occurs. The deposited corrosion products, called 'crud', can have an adverse impact on fuel performance. Boron can concentrate within the crud in the boiling regions of the fuel leading to a phenomenon known as axial offset anomaly (AOA). In rare cases, fuel clad integrity can be compromised because of crud-induced localized corrosion (CILC) of the zirconium-based alloy. Westinghouse and the Electric Power Research Institute have committed to understanding the crud transport process and develop a risk assessment software tool called boron-induced offset anomaly (BOA) to avoid AOA and CILC. This paper reviews the history of the BOA model development and new efforts to develop a micro-scale model called MAMBA for use in the Consortium for Advanced Light Water Reactor Simulation (CASL) program. C1 [Deshon, Jeff; Hussey, Dennis] Elect Power Res Inst, Palo Alto, CA USA. [Kendrick, Brian] Los Alamos Natl Lab, Los Alamos, NM USA. [McGurk, John] Natl Nucl Lab, Didcot, Oxon, England. [Secker, Jeff] Westinghouse Elect Co, Cranberry Township, PA USA. [Short, Michael] MIT, Cambridge, MA 02139 USA. RP Deshon, J (reprint author), Elect Power Res Inst, Palo Alto, CA USA. EM dhussey@epri.com NR 19 TC 13 Z9 13 U1 3 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD AUG PY 2011 VL 63 IS 8 BP 68 EP 76 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 810GR UT WOS:000294114300015 ER PT J AU Pennycook, SJ Varela, M AF Pennycook, S. J. Varela, M. TI New views of materials through aberration-corrected scanning transmission electron microscopy SO JOURNAL OF ELECTRON MICROSCOPY LA English DT Article DE scanning transmission electron microscopy; electron energy loss spectroscopy; aberration correction; Z-contrast ID ENERGY-LOSS SPECTROSCOPY; CRYSTAL-STRUCTURE ANALYSIS; RUTHERFORD SCATTERING; CHEMICAL-ANALYSIS; RESOLUTION; CONTRAST; OXYGEN; ATOMS; STEM; TOMOGRAPHY AB The successful correction of third-order and, more recently, fifth-order aberrations has enormously enhanced the capabilities of the scanning transmission electron microscope (STEM), by not only achieving record resolution, but also allowing near 100% efficiency for electron energy loss spectroscopy, and higher currents for two-dimensional spectrum imaging. These advances have meant that the intrinsic advantages of the STEM, incoherent imaging and simultaneous collection of multiple complementary images can now give new insights into many areas of materials physics. Here, we review a number of examples, mostly from the field of complex oxides, and look towards new directions for the future. C1 [Pennycook, S. J.; Varela, M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. RP Pennycook, SJ (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. EM pennycooksj@ornl.gov RI Varela, Maria/H-2648-2012; Varela, Maria/E-2472-2014 OI Varela, Maria/0000-0002-6582-7004 FU US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was funded by the US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. NR 79 TC 15 Z9 15 U1 0 U2 24 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0022-0744 J9 J ELECTRON MICROSC JI J. Electron Microsc. PD AUG PY 2011 VL 60 SU 1 BP S213 EP S223 DI 10.1093/jmicro/dfr030 PG 11 WC Microscopy SC Microscopy GA 809QQ UT WOS:000294072200015 PM 21844591 ER PT J AU Aspden, AJ Day, MS Bell, JB AF Aspden, A. J. Day, M. S. Bell, J. B. TI Turbulence-flame interactions in lean premixed hydrogen: transition to the distributed burning regime SO JOURNAL OF FLUID MECHANICS LA English DT Article DE flames; turbulence simulation; turbulent reacting flows ID OXYGEN-NITROGEN MIXTURES; METHANE-AIR FLAMES; NUMERICAL-SIMULATION; APPROXIMATE PROJECTION; COMPLEX CHEMISTRY; IA SUPERNOVAE; COMBUSTION; SCALE; PROPAGATION; EQUATIONS AB The response of lean (phi <= 0.4) premixed hydrogen flames to maintained homogeneous isotropic turbulence is investigated using detailed numerical simulation in an idealised three-dimensional configuration over a range of Karlovitz numbers from 10 to 1562. In particular, a focus is placed on turbulence sufficiently intense that the flames can no longer be considered to be in the thin reaction burning regime. This transition to the so-called distributed burning regime is characterised through a number of diagnostics, and the relative roles of molecular and turbulent mixing processes are examined. The phenomenology and statistics of these flames are contrasted with a distributed thermonuclear flame from a related astrophysical study. C1 [Aspden, A. J.; Day, M. S.; Bell, J. B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. RP Aspden, AJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, 1 Cyclotron Rd,MS 50A-1148, Berkeley, CA 94720 USA. EM AJAspden@lbl.gov RI Aspden, Andy/A-7391-2017 OI Aspden, Andy/0000-0002-2970-4824 FU US Department of Energy [DE-AC02-05CH11231]; Glenn T. Seaborg Fellowship FX This work was supported by the Applied Mathematics Research Program of the US Department of Energy. A.J.A. was also supported by a Glenn T. Seaborg Fellowship. Simulations were performed on the Lawrencium computational cluster resource provided by the IT Division at the Lawrence Berkeley National Laboratory, and high-resolution simulations on Franklin (under an Incite award) and Hopper at National Energy Research Scientific Computing Center. All support is provided by the US Department of Energy under contract DE-AC02-05CH11231. NR 67 TC 53 Z9 53 U1 0 U2 15 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD AUG PY 2011 VL 680 BP 287 EP 320 DI 10.1017/jfm.2011.164 PG 34 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 810FM UT WOS:000294111100011 ER PT J AU Miro, S Costantini, JM Haussy, J Beck, L Vaubaillon, S Pellegrino, S Meis, C Grob, JJ Zhang, Y Weber, WJ AF Miro, S. Costantini, J. M. Haussy, J. Beck, L. Vaubaillon, S. Pellegrino, S. Meis, C. Grob, J. J. Zhang, Y. Weber, W. J. TI Nuclear reaction analysis of helium migration in silicon carbide SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID VACANCY CLUSTERS; IMPLANTATION; IRRADIATION; DEFECTS; BEHAVIOR; DAMAGE; ACCUMULATION; DEPENDENCE; SIMULATION; DIFFUSION AB 4H-SiC and 6H-SiC single crystals were implanted at room temperature with 3-MeV He-3 ions at a fluence of 1 x 10(16) cm(-2). Analysis of helium migration was carried out with the He-3(d, p)He-4 nuclear reaction. No clear thermally-activated migration in the end-of-range (EOR) region is found below 1100 degrees C, meaning that helium is strongly trapped probably in helium-vacancy clusters. At 1100 degrees C and above, a fraction of He-3 atoms remains trapped in the clusters, but a significant fraction is detrapped into a broad distribution, which is slightly shifted towards the sample surface. Helium detrapping from the EOR region increases with increasing annealing time and temperature. Moreover, the helium content is not conserved, since a significant fraction of 3He atoms is released out of the sample. Helium out-gassing actually increases with increasing annealing time and temperature, up to about 40% at 1150 degrees C. No clear difference is found between the 4H-SiC and 6H-SiC polytypes. (C) 2011 Elsevier B.V. All rights reserved. C1 [Miro, S.; Beck, L.] CEA, DEN, SRMP, Lab JANNUS, F-91191 Gif Sur Yvette, France. [Costantini, J. M.] CEA, DEN, SRMA, F-91191 Gif Sur Yvette, France. [Haussy, J.] CEA, DAM, DIF, F-91297 Arpajon, France. [Vaubaillon, S.; Pellegrino, S.; Meis, C.] CEA, INSTN UEPTN, F-91191 Gif Sur Yvette, France. [Grob, J. J.] InESS ULP CNRS, F-67037 Strasbourg, France. [Zhang, Y.; Weber, W. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Weber, W. J.] Univ Tennessee, Knoxville, TN 37996 USA. RP Miro, S (reprint author), CEA, DEN, SRMP, Lab JANNUS, F-91191 Gif Sur Yvette, France. EM sandrine.miro@cea.fr RI Weber, William/A-4177-2008 OI Weber, William/0000-0002-9017-7365 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX Two of the authors (YZ and WJW) acknowledge the support of the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. NR 34 TC 24 Z9 24 U1 3 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG 1 PY 2011 VL 415 IS 1 BP 5 EP 12 DI 10.1016/j.jnucmat.2011.05.009 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 810SY UT WOS:000294148600002 ER PT J AU Surla, V Tung, M Xu, W Andruczyk, D Neumann, M Ruzic, DN Mansfield, D AF Surla, V. Tung, M. Xu, W. Andruczyk, D. Neumann, M. Ruzic, D. N. Mansfield, D. TI Seebeck coefficient measurements of lithium isotopes SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID LIQUID LITHIUM; DIFFUSION AB Lithium, owing to its many advantages, is of immense interest to the fusion community for its use as plasma facing component (PFC) material. Various experiments are under progress in the Center for Plasma Material Interactions (CPMI) at the University of Illinois at Urbana Champaign (UIUC) aimed at understanding the plasma-lithium interactions. In one such experiment called Solid/Liquid Lithium Divertor Experiment (SLiDE), it was recently observed that the flow of liquid lithium in the presence of magnetic fields is dominated by thermoelectric Magnetohydrodynamic (TEMHD) effects. To describe these results accurately, a knowledge of the thermoelectric properties of lithium is essential. For this purpose, an apparatus to measure the Seebeck coefficient of lithium was developed. Using this apparatus, the Seebeck coefficient of lithium as a function of temperature has been obtained. The Seebeck coefficient of lithium-7 is found to gradually increase from 11 mu V/K to 25 mu V/K, as the temperature is raised from 25 degrees C to 240 degrees C. These measurements are in good agreement with Kendall's thermoelectric measurements on natural Li. Furthermore, using the same apparatus, the thermoelectric curve of lithium-6 is obtained and for the first time are reported in this paper. (C) 2011 Elsevier B.V. All rights reserved. C1 [Surla, V.; Tung, M.; Xu, W.; Andruczyk, D.; Neumann, M.; Ruzic, D. N.] Univ Illinois, Ctr Plasma Mat Interact, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. [Surla, V.; Mansfield, D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Surla, V (reprint author), 216 Talbot Lab, 104 S Wright St, Urbana, IL 61801 USA. EM vsurla@illinois.edu FU Department of Energy/ALPS [DEFG02-99ER54515]; DOE [DE-FG02-04ER54765] FX Work is supported by Department of Energy/ALPS Contract: DEFG02-99ER54515.; This work is supported by DOE Contract DE-FG02-04ER54765. The authors would like to thank the machine shop in mechanical engineering department at the University of Illinois for their help with the extruding apparatus. The authors also thank undergraduates Sai Alluri, and Mayank Sirasale for their assistance. Authors also thank PPPL for loaning the Li-6 sample. NR 10 TC 5 Z9 5 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG 1 PY 2011 VL 415 IS 1 BP 18 EP 22 DI 10.1016/j.jnucmat.2011.05.019 PG 5 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 810SY UT WOS:000294148600004 ER PT J AU King, WE Tumey, SJ Rest, J Gilmer, GH AF King, Wayne E. Tumey, Scott J. Rest, Jeffrey Gilmer, George H. TI The effect of lattice and grain boundary diffusion on the redistribution of Xe in metallic nuclear fuels: Implications for the use of ion implantation to study fission-gas-bubble nucleation mechanisms SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID URANIUM-DIOXIDE; HEAVY-ION; XENON; UO2; IRRADIATION; KRYPTON; TEMPERATURE; TEM; PROFILES; BEHAVIOR AB A multi-atom gas bubble-nucleation mechanism has been proposed as part of a predictive fission-gas release model for metallic nuclear fuels. Validation of this mechanism requires experimental measurement of fission-gas bubble-size distributions at well-controlled gas concentrations and temperatures. There are advantages to carrying out such a study using ion implantation as the source of gas atoms compared with neutron irradiations. In spite of previous successes using ion implantation to study fission-gas behavior in oxide fuels, there is significant uncertainty about the efficacy of using ion beams for metallic fuel studies. To address the question of the applicability of ion beams in experiments designed to study fission-gas behavior in metallic fuels, we developed and applied an exact model for the redistribution of implanted ions under annealing conditions. The conclusion is that, given the assumptions, the results from implantations at 1 MeV or less may be overwhelmed by the surface effects at all relevant temperatures. Implanting at 10 or 80 MeV can significantly diminish the influence of the surfaces and the steep concentration gradients. At 80 MeV, the location of the peak concentration profile remains stable with annealing time. Thus, it appears that ion implantation can be an appropriate tool to study the size distribution of Xe bubbles in metallic fuels. Of the conditions investigated, the best for the study are to implant at 80 MeV and carry out anneals at 773 K, 873 K, and 973 K for times less than 10,000 s. (C) 2011 Elsevier B.V. All rights reserved. C1 [King, Wayne E.; Tumey, Scott J.; Gilmer, George H.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [Rest, Jeffrey] Argonne Natl Lab, Argonne, IL 60439 USA. RP King, WE (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, L-353,POB 808, Livermore, CA 94551 USA. EM weking@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors are grateful to William J. Weber (The University of Tennessee) for critically reading and providing technical input to this manuscript. This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 53 TC 4 Z9 4 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG 1 PY 2011 VL 415 IS 1 BP 38 EP 54 DI 10.1016/j.jnucmat.2011.05.035 PG 17 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 810SY UT WOS:000294148600007 ER PT J AU Luneville, L Simeone, D Weber, WJ AF Luneville, L. Simeone, D. Weber, W. J. TI Study of the fragmentation of a displacement cascade into subcascades within the Binary Collision Approximation framework SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID RADIATION-DAMAGE; IRRADIATION; DYNAMICS; SIMULATIONS; DIFFUSION; METALS; ATOMS AB When a material is subjected to irradiation, many primary defects are created at the atomic level by sequences of ballistic collision events to form highly disordered regions defined as displacement cascades. The long term evolution of materials under irradiation is dictated by the number and the spatial distribution of the surviving defects in the displacement cascade. The peculiar power law shape of collision cross sections is responsible for the fractal feature of atomic trajectories set and then the fragmentation of a displacement cascade into smaller subcascades. We present a criterion to describe the fragmentation of a displacement cascade into subcascades and to calculate the volume fraction of subcascades in the overall cascade due to this fragmentation. Such a volume fraction then provides a natural framework to estimate the efficiency of different projectiles to induce phase transformation or amorphisation in solids under irradiation. From this definition of the fragmentation of a displacement cascade, this work gives some new insights to compare different irradiations performed with different particles. (C) 2011 Elsevier B.V. All rights reserved. C1 [Luneville, L.] CEN Saclay, CNRS CEA ECP, CEA, DEN,SERMA,LLPR, F-91191 Gif Sur Yvette, France. [Luneville, L.; Simeone, D.] Ecole Cent Paris, Lab SPMS, CNRS CEA ECP, CNRS, F-92292 Chatenay Malabry, France. [Simeone, D.] CEN Saclay, CNRS CEA ECP, CEA, DEN,SRMA,LA2M, F-91191 Gif Sur Yvette, France. [Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Weber, W. J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Luneville, L (reprint author), CEN Saclay, CNRS CEA ECP, CEA, DEN,SERMA,LLPR, F-91191 Gif Sur Yvette, France. EM laurence.luneville@cea.fr RI Weber, William/A-4177-2008 OI Weber, William/0000-0002-9017-7365 FU U.S. Department of Energy, Office of Basic Energy Sciences FX Two of us acknowledge Pr. C. Lemaignan for valuable discussions on this subject and the referee for helpful comments on the text. One of the authors (WJW) was supported as part of the Materials Science of Actinides, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences. NR 45 TC 4 Z9 4 U1 0 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 AUG 1 PY 2011 VL 415 IS 1 BP 55 EP 60 DI 10.1016/j.jnucmat.2011.05.039 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 810SY UT WOS:000294148600008 ER PT J AU Williamson, RL AF Williamson, R. L. TI Enhancing the ABAQUS thermomechanics code to simulate multipellet steady and transient LWR fuel rod behavior SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CREEP; UO2 AB A powerful multidimensional fuels performance analysis capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth, gap heat transfer, and gap/plenum gas behavior during irradiation. This new capability is demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multipellet fuel rod, during both steady and transient operation. Comparisons are made between discrete and smeared-pellet simulations. Computational results demonstrate the importance of a multidimensional, multipellet, fully-coupled thermomechanical approach. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermomechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths. (C) 2011 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Williamson, RL (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Richard.Williamson@inl.gov OI Williamson, Richard/0000-0001-7734-3632 FU US Government [DE-AC07-05ID14517] FX The submitted manuscript has been authored by a contractor of the US Government under Contract DE-AC07-05ID14517. Accordingly, the US Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for US Government purposes. NR 33 TC 12 Z9 12 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG 1 PY 2011 VL 415 IS 1 BP 74 EP 83 DI 10.1016/j.jnucmat.2011.05.044 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 810SY UT WOS:000294148600011 ER PT J AU Marian, J Bulatov, VV AF Marian, Jaime Bulatov, Vasily V. TI Stochastic cluster dynamics method for simulations of multispecies irradiation damage accumulation SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID KINETIC MONTE-CARLO; SUPERSATURATED LATTICE VACANCIES; COUPLED CHEMICAL-REACTIONS; SELF-INTERSTITIAL ATOM; MICROSTRUCTURAL EVOLUTION; NEUTRON-IRRADIATION; BEAM IRRADIATION; RADIATION-DAMAGE; GROUPING METHOD; CASCADE DAMAGE AB Accurate modeling of irradiation damage processes is important to predict materials performance in nuclear environments. The mean-field rate theory (RI) approach has been and remains the standard method for calculations of the kinetics of damage accumulation under irradiation. Despite its many advantages, when using RI, very large numbers of ordinary differential equations (ODEs) need to be solved if one is interested in the kinetics of complex defect populations containing defect clusters made up of constituent defect species of different types, e.g. He, H, 0, alloying impurities, etc. Here we present a stochastic variant of RT, which we term stochastic cluster dynamics (SCD), intended as an alternative to the standard ODE-based implementation. SCD obviates the need to solve the exceedingly large sets of ODEs and relies instead on sparse stochastic sampling from the underlying kinetic Master Equation. The new method evolves an integer-valued defect population in a finite material volume. In this paper we describe the general ideas behind the SCD method, give essential details of our numerical implementation and present SCD simulations that verify the new method against standard RI implementations on two well characterized material models. We then apply the method to simulate triple beam irradiation experiments of heavy Fe ions, He, and H on model ferritic alloys up to a dose of 1 dpa. (C) 2011 Elsevier B.V. All rights reserved. C1 [Marian, Jaime; Bulatov, Vasily V.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Marian, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM marian1@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program [09-SI-003] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We specifically acknowledge support from the Laboratory Directed Research and Development Program under Project 09-SI-003. Fruitful discussions with W. Wolfer are gratefully acknowledged. VVB wishes to thank F. Willaime and the SRMP group for their warm hospitality during his sabbatical stay at CEA Saclay where initial ideas for this work were conceived. VVB especially acknowledges fruitful discussions with A Barbu, M. Athenes and T. Jourdan (all at CEA-Saclay). Early trial implementations of the SCD method are due to Solene LeBourdiec (EDF) and Tuan Hoang (UC Berkeley) whose contributions both authors gratefully acknowledge. NR 62 TC 19 Z9 19 U1 3 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD AUG 1 PY 2011 VL 415 IS 1 BP 84 EP 95 DI 10.1016/j.jnucmat.2011.05.045 PG 12 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 810SY UT WOS:000294148600012 ER PT J AU Andraka, CE Yellowhair, J Trapeznikov, K Carlson, J Myer, B Stone, B Hunt, K AF Andraka, Charles E. Yellowhair, Julius Trapeznikov, Kirill Carlson, Jeff Myer, Brian Stone, Brad Hunt, Kirby TI AIMFAST: An Alignment Tool Based on Fringe Reflection Methods Applied To Dish Concentrators SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE CSP; dish stirling; alignment; fringe reflection; production AB The proper alignment of facets on a dish engine concentrated solar power system is critical to the performance of the system. These systems are generally highly concentrating to produce high temperatures for maximum thermal efficiency so there is little tolerance for poor optical alignment. Improper alignment can lead to poor performance and shortened life through excessively high flux on the receiver surfaces, imbalanced power on multicylinder engines, and intercept losses at the aperture. Alignment approaches used in the past are time consuming field operations, typically taking 4-6 h per dish with 40-80 facets on the dish. Production systems of faceted dishes will need rapid, accurate alignment implemented in a fraction of an hour. In this paper, we present an extension to our Sandia Optical Fringe Analysis Slope Technique mirror characterization system that will automatically acquire data, implement an alignment strategy, and provide real-time mirror angle corrections to actuators or labor beneath the dish. The Alignment Implementation for Manufacturing using Fringe Analysis Slope Technique (AIMFAST) has been implemented and tested at the prototype level. In this paper we present the approach used in AIMFAST to rapidly characterize the dish system and provide near-real-time adjustment updates for each facet. The implemented approach can provide adjustment updates every 5 s, suitable for manual or automated adjustment of facets on a dish assembly line. [DOI: 10.1115/1.4004357] C1 [Andraka, Charles E.; Yellowhair, Julius; Trapeznikov, Kirill; Carlson, Jeff] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Myer, Brian] Appalachian State Univ, Dept Phys & Astron, Boone, NC 28608 USA. [Stone, Brad; Hunt, Kirby] Stirling Energy Syst, Scottsdale, AZ USA. RP Andraka, CE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ceandra@sandia.gov FU U.S. Department of Energy [DE-AC04-94AL85000] FX This manuscript has been authored by Sandia Corporation under Contract No. DE-AC04-94AL85000 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 13 TC 4 Z9 4 U1 0 U2 12 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD AUG PY 2011 VL 133 IS 3 AR 031018 DI 10.1115/1.4004357 PG 6 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 809MP UT WOS:000294061100019 ER PT J AU Ho, CK Ghanbari, CM Diver, RB AF Ho, Clifford K. Ghanbari, Cheryl M. Diver, Richard B. TI Methodology to Assess Potential Glint and Glare Hazards From Concentrating Solar Power Plants: Analytical Models and Experimental Validation SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE eye protection; health hazards; optical elements; solar absorber-convertors; solar energy concentrators; solar power stations; sunlight ID RADIATION AB With a growing number of concentrating solar power systems being designed and developed, the potential impact of glint and glare from concentrating solar collectors and receivers is receiving increased attention as a potential hazard or as a distraction for motorists, pilots, and pedestrians. This paper provides analytical methods to evaluate the irradiance originating from specularly and diffusely reflecting sources as a function of distance and characteristics of the source. Sample problems are provided for both specular and diffuse sources, and validation of the models is performed via testing. In addition, a summary of safety metrics is compiled from the literature to evaluate the potential hazards of calculated irradiances from glint and glare for short-term exposures. Previous safety metrics have focused on prevention of permanent eye damage ( e. g., retinal burn). New metrics used in this paper account for temporary after-image, which can occur at irradiance values several orders of magnitude lower than the irradiance values required for irreversible eye damage. [DOI: 10.1115/1.4004349] C1 [Ho, Clifford K.; Ghanbari, Cheryl M.; Diver, Richard B.] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM ckho@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia 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 18 TC 3 Z9 3 U1 3 U2 5 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD AUG PY 2011 VL 133 IS 3 AR 031021 DI 10.1115/1.4004349 PG 9 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 809MP UT WOS:000294061100022 ER PT J AU Khalsa, SSS Ho, CK AF Khalsa, Siri Sahib S. Ho, Clifford K. TI Radiation Boundary Conditions for Computational Fluid Dynamics Models of High-Temperature Cavity Receivers SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE CFD; cavity receiver; Fluent; discrete ordinates; irradiance AB Rigorous computational fluid dynamics (CFD) codes can accurately simulate complex coupled processes within an arbitrary geometry. CFD can thus be a cost-effective and time-efficient method of guiding receiver design and testing for concentrating solar power technologies. However, it can be computationally prohibitive to include a large multifaceted dish concentrator or a field of hundreds or thousands of heliostats in the model domain. This paper presents a method to allow the CFD code to focus on a cavity receiver domain alone, by rigorously transforming radiance distributions calculated on the receiver aperture into radiance boundary conditions for the CFD simulations. This method allows the incoming radiation to interact with participating media such as falling solid particles in a high-temperature cavity receiver. The radiance boundary conditions of the CFD model can take into consideration complex beam features caused by sun shape, limb darkening, slope errors, heliostat facet shape, multiple heliostats, off-axis aberrations, atmospheric effects, blocking, shading, and multiple focal points. This paper also details implementation examples in ANSYS FLUENT for a heliostat field and a dish concentrator, which are validated by comparison to results from DELSOL and the ray-tracing code ASAP, respectively. [DOI: 10.1115/1.4004274] C1 [Khalsa, Siri Sahib S.; Ho, Clifford K.] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA. RP Khalsa, SSS (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM sskhals@sandia.gov; ckho@sandia.gov NR 11 TC 7 Z9 7 U1 0 U2 11 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD AUG PY 2011 VL 133 IS 3 AR 031020 DI 10.1115/1.4004274 PG 6 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 809MP UT WOS:000294061100021 ER PT J AU Chadwick, MB AF Chadwick, M. B. TI Future Challenges for Nuclear Data Research in Fission SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ND2010; Nuclear Data; ENDF ID SPECTRUM AB I describe some high priority research areas in nuclear fission, where applications in nuclear reactor technologies and in modeling criticality in general are demanding higher accuracies in our databases. We focus on fission cross sections, fission neutron spectra, and fission product data. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chadwick, MB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mbchadwick@lanl.gov NR 13 TC 3 Z9 4 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 752 EP 754 DI 10.3938/jkps.59.752 PN 3 PG 3 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500002 ER PT J AU Smith, DL AF Smith, D. L. TI Nuclear Data Uncertainties in 2010: A Perspective SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ND2010; Nuclear data; Nuclear applications; Uncertainties; Covariances ID COVARIANCE DATA; NEEDS AB Six years have passed since the International Conference on Nuclear Data for Science and Technology held in Santa Fe, New Mexico, U.S.A.., 2004 (ND-2004) where this author presented a similar invited paper. The present paper discusses the progress made since 2004 in the production of covariance evaluations and their usage in applications. It also points out the challenges ahead for the nuclear science community in this field. The path to be be followed during the next several years in this field is fairly clear, but several barriers need to be overcome along the way. Among these are resource limitations (funding and manpower), constraints of existing nuclear data formats, applications code shortcomings, and the need to educate experimenters on how to properly quantify and report uncertainties in their measured data. These barriers are not insurmountable, but the nuclear data and applications communities need to give thoughtful consideration to setting priorities and making the technical choices that will impact the work of an entire generation of applied nuclear researchers. C1 Argonne Natl Lab, Nucl Engn Div, Coronado, CA 92118 USA. RP Smith, DL (reprint author), Argonne Natl Lab, Nucl Engn Div, Coronado, CA 92118 USA. EM Donald.L.Smith@anl.gov NR 19 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 755 EP 760 DI 10.3938/jkps.59.755 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500003 ER PT J AU Smith, MS AF Smith, Michael S. TI Nuclear Data for Astrophysics Research: A New Online Paradigm SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Nuclear astrophysics; Nuclear data; Methodology; Software; Evaluations; Astrophysics; Simulations; Data processing ID NUCLEOSYNTHESIS AB Our knowledge of a wide range of astrophysical processes depends crucially on nuclear physics data. While new nuclear information is being generated at an ever-increasing rate, the methods to process this information into astrophysical simulations have changed little over the decades and cannot keep pace. Working online, "cloud computing", may be the methodology breakthrough needed to ensure that the latest nuclear data quickly gets into astrophysics codes. The successes of the first utilization of cloud computing for nuclear astrophysics will be described. The advantages of cloud computing for the broader nuclear data community are also discussed. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Smith, MS (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM smithms@ornl.gov RI zong, fico/H-4677-2011 NR 15 TC 1 Z9 1 U1 0 U2 2 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 761 EP 766 DI 10.3938/jkps.59.761 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500004 ER PT J AU Kawano, T Talou, P Chadwick, MB Holloway, S Moller, P Watanabe, T AF Kawano, T. Talou, P. Chadwick, M. B. Holloway, S. Moeller, P. Watanabe, T. TI Applications of the Hauser-Feshbach Theory to Advanced Nuclear Sciences SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Hauser-Feshbach theory; Monte Carlo method; beta-decay ID BETA-STRENGTH FUNCTIONS; ISOTOPES; CODE AB Unique applications of the Hauser-Feshbach (HF) statistical theory in the nuclear science field, as well as the EIF model code development at LANL are discussed. Our applied field in which HF is applicable is not necessarily limited to the particle-induced reactions. We combine the HF model with a theory of beta-decay to calculate the beta-delayed neutron and gamma-ray emissions. These calculations can be performed for each beta-decay precursor to estimate aggregate neutron and gamma-ray energy release at fission. Another relatively new example at LANL is the ability to compute HF predictions with a Monte Carlo technique (MCHF), which gives all the correlated information. C1 [Kawano, T.; Talou, P.; Chadwick, M. B.; Holloway, S.; Moeller, P.; Watanabe, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kawano, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kawano@lanl.gov OI Moller, Peter/0000-0002-5848-3565 NR 24 TC 3 Z9 3 U1 0 U2 2 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 785 EP 790 DI 10.3938/jkps.59.785 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500008 ER PT J AU Leray, S David, JC Khandaker, M Mank, G Mengoni, A Otsuka, N Filges, D Gallmeier, F Konobeyev, A Michel, R AF Leray, S. David, J. C. Khandaker, M. Mank, G. Mengoni, A. Otsuka, N. Filges, D. Gallmeier, F. Konobeyev, A. Michel, R. TI Results from the IAEA Benchmark of Spallation Models SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Spallation; Neutron sources; Intra-nuclear cascade models; Evaporation-fission models AB Spallation reactions play an important role in a wide domain of applications. In the simulation codes used in this field, the nuclear interaction cross-sections and characteristics are computed by spoliation models. The International Atomic Energy Agency (IAEA) has recently organised a benchmark of the spoliation models used or that could be used in the future into high-energy transport codes. The objectives were, first, to assess the prediction capabilities of the different spoliation models for the different mass and energy regions and the different exit channels and, second, to understand the reason for the success or deficiency of the models. Results of the benchmark concerning both the analysis of the prediction capabilities of the models and the first conclusions on the physics of spoliation models are presented. C1 [Leray, S.; David, J. C.] CEA Saclay, Irfu SPhN, F-91191 Gif Sur Yvette, France. [Khandaker, M.; Mank, G.; Mengoni, A.; Otsuka, N.] IAEA, A-1400 Vienna, Austria. [Filges, D.] IKP, FZJ, D-52425 Julich, Germany. [Gallmeier, F.] ORNL, Oak Ridge, TN 37831 USA. [Konobeyev, A.] Karlsruher Inst Technol, INR, D-76021 Karlsruhe, Germany. [Michel, R.] Leibniz Univ Hannover, ZSR, D-30419 Hannover, Germany. RP Leray, S (reprint author), CEA Saclay, Irfu SPhN, F-91191 Gif Sur Yvette, France. EM sylvie.leray@cea.fr RI Khandaker, Mayeen /F-5376-2011; Leray, Sylvie/A-3924-2012; Mengoni, Alberto/I-1497-2012 OI Khandaker, Mayeen /0000-0003-3772-294X; Leray, Sylvie/0000-0002-1942-2911; Mengoni, Alberto/0000-0002-2537-0038 NR 5 TC 28 Z9 28 U1 2 U2 10 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 791 EP 796 DI 10.3938/jkps.59.791 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500009 ER PT J AU Talou, P Kawano, T Lynn, JE Moller, P Bouland, O Chadwick, MB AF Talou, P. Kawano, T. Lynn, J. E. Moeller, P. Bouland, O. Chadwick, M. B. TI Recent Advances in Nuclear Fission Theory: Pre- and Post-scission Physics SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Fission cross-section; Prompt fission neutrons and gamma rays; Monte carlo hauser-feshbach ID NEUTRONS; MULTIPLICITIES; U-235 AB Recent advances in the modeling of the nuclear fission process for data evaluation purposes are reviewed. In particular, it is stressed that a more comprehensive approach to fission data is needed if predictive capability is to be achieved. The link between pre- and post-scission data is clarified and a path forward to evaluate those data in a consistent and comprehensive manner is presented. Two examples are given: (i) the modeling of fission cross-sections in the R-matrix formalism, for which results for Pu isotopes from A = 239 to 242 are presented; (ii) the modeling of prompt fission neutrons in the Monte Carlo Hauser-Feshbach framework. Results for neutron-induced fission on (235)U are discussed. C1 [Talou, P.; Kawano, T.; Lynn, J. E.; Moeller, P.; Bouland, O.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Bouland, O.] CEA DEN LEPh, Cadarache, France. [Chadwick, M. B.] Los Alamos Natl Lab, X CP, Los Alamos, NM 87545 USA. RP Talou, P (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM talou@lanl.gov OI Moller, Peter/0000-0002-5848-3565 NR 17 TC 0 Z9 0 U1 0 U2 1 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 797 EP 802 DI 10.3938/jkps.59.797 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500010 ER PT J AU Escher, JE Dietrich, FS Scielzo, ND AF Escher, J. E. Dietrich, F. S. Scielzo, N. D. TI Surrogate Approaches for Neutron Capture SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Surrogate reactions; Neutron capture; s-process; Fission AB The prospects for obtaining neutron capture cross sections indirectly from surrogate measurements are discussed. The surrogate reactions approach has been successfully employed to determine (n,f) cross sections from observed fission decays of compound nuclei created with the help of light-ion inelastic scattering or transfer reactions. The challenges encountered in applications of the method to capture reactions are considered. Case studies are presented that shed light on the accuracy to be expected from this approach, and ideas for improving the resulting cross sections are discussed. C1 [Escher, J. E.; Dietrich, F. S.; Scielzo, N. D.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Escher, JE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM escher1@llnl.gov RI Escher, Jutta/E-1965-2013 NR 14 TC 0 Z9 1 U1 0 U2 1 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 815 EP 820 DI 10.3938/jkps.59.815 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500013 ER PT J AU Mughabghab, SF AF Mughabghab, S. F. TI What Do s- and p-wave Neutron Average Radiative Widths Reveal? SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE S- and P-wave neutron resonance capture widths; Spin-orbit potential; Valence neutron capture; Enhanced gamma-ray transitions; Gamma-ray strength functions; Giant dipole resonance; Pygmy dipole resonance ID CAPTURE CROSS-SECTIONS; OPTICAL-MODEL; VALENCE MODEL AB A first observation of two resonance-like structures at mass numbers 92 and 112 in the average capture widths of the p-wave neutron resonances relative to the s-wave component is interpreted in terms of a spin-orbit splitting of the 3p single-particle state into p(3/2) and p(1/2) components at the neutron separation energy. A third structure at about A = 124, which is not correlated with the 3p-wave neutron strength function, is possibly due to the Pygmy Dipole Resonance. Five significant results emerge from this investigation: (i) The strength of the spin-orbit potential of the optical-model is determined as 5.7 +/- 0.5 MeV, (ii) Non-statistical effects dominate the p-wave neutron-capture in the mass region A = 85 - 130, (iii) The background magnitude of the p-wave average capture-width relative to that of the s-wave is determined as 0.50 +/- 0.05, which is accounted for quantitatively in terms of the generalized Fermi liquid model of Mughabghab and Dunford,(iv) The p-wave resonances are partially decoupled from the giant-dipole resonance (GDR), and (v) Gamma-ray transitions, enhanced over the predictions of the GDR, are observed in the Zr-90 - Mo-98 and Sn-Ba regions. C1 Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP Mughabghab, SF (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. EM mugabgab@bnl.gov NR 36 TC 3 Z9 3 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 EI 1976-8524 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 821 EP 826 DI 10.3938/jkps.59.821 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500014 ER PT J AU Bouland, O Hale, GM Lynn, JE Talou, P Bernard, D Litaize, O Noguere, G De saint Jean, C Serot, O AF Bouland, O. Hale, G. M. Lynn, J. E. Talou, P. Bernard, D. Litaize, O. Noguere, G. De saint Jean, C. Serot, O. TI Towards Consistent Nuclear Models and Comprehensive Nuclear Evaluations LA-UR 10-03569 SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Nuclear data evaluation; Nuclear models; Resolved and unresolved resonance; Fast energy ranges ID FISSION; UNCERTAINTIES; PROPAGATION AB The essence of this paper is to enlighten the consistency achieved nowadays in nuclear data and uncertainties assessments in terms of compound nucleus reaction theory from neutron separation energy to continuum. Making the continuity of theories used in resolved (R-matrix theory), unresolved resonance (average R-matrix theory) and continuum (optical model) ranges by the generalization of the so-called SPRT method, consistent average parameters are extracted from observed measurements and associated covariances are therefore calculated over the whole energy range. This paper recalls, in particular, recent advances on fission cross section calculations and is willing to suggest, some hints for future developments. C1 [Bouland, O.; Hale, G. M.; Lynn, J. E.; Talou, P.] Los Alamos Natl Lab, Div Theoret, Astrophys & Cosmol Grp, Los Alamos, NM 87545 USA. [Bouland, O.; Bernard, D.; Litaize, O.; Noguere, G.; De saint Jean, C.; Serot, O.] CEA, Lab Etud Phys, DEN DER SPRC, F-13108 St Paul Les Durance, Ce Cadarache, France. RP Bouland, O (reprint author), Los Alamos Natl Lab, Div Theoret, Astrophys & Cosmol Grp, T-2, Los Alamos, NM 87545 USA. EM obouland@lanl.gov RI De Saint Jean, Cyrille/E-8853-2011 NR 39 TC 1 Z9 1 U1 0 U2 4 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 833 EP 838 DI 10.3938/jkps.59.833 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500016 ER PT J AU Cho, YS AF Cho, Young-Sik TI Practical Method for Estimating Neutron Cross Section Covariances in the Resonance Region SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Nuclear Data; Covariance; Resolved Resonance Region; Kernel Approximation AB Recent evaluations of neutron cross section covariances in the resolved resonance region reveal the need for further research in this area. Major issues include declining uncertainties in multigroup representations and proper treatment of scattering radius uncertainty. To address these issues, the present work introduces a practical method based on kernel approximation using resonance parameter uncertainties from the Atlas of Neutron Resonances. Analytical expressions derived for average cross sections in broader energy bins along with their sensitivities provide transparent tool for determining cross section uncertainties. The role of resonance-resonance and bin-bin correlations is specifically studied. As an example we apply this approach to estimate (n,gamma) and (n, el) covariances for the structural material (55)Mn. C1 [Cho, Young-Sik] Korea Atom Energy Res Inst, Nucl Data Evaluat Lab, Taejon 305353, South Korea. RP Cho, YS (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. EM yscho@kaeri.re.kr NR 4 TC 2 Z9 2 U1 0 U2 1 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 847 EP 850 DI 10.3938/jkps.59.847 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500019 ER PT J AU Holloway, ST Kawano, T Moller, P AF Holloway, S. T. Kawano, Toshihiko Moeller, Peter TI Time Dependent Particle Emission from Fission Products SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Decay-heat; Statistical Hauser-Feshbach; Beta-decay; Beta-delayed particle production ID BETA-STRENGTH FUNCTIONS; DECAY HEAT; NUCLEAR; FORMULA; PU-239 AB Decay heating following nuclear fission is an important factor in the design of nuclear facilities; impacting a variety of aspects ranging from cooling requirements to shielding design. Calculations of decay heat, often assumed to be a simple product of activity and average decay product energy, are complicated by the so called "pandemonium effect". Elucidated in the 1970's this complication arises from beta-decays feeding high-energy nuclear levels; redistributing the available energy between betas and gammas. Increased interest in improving the theoretical predictions of decay probabilities has been, in part, motivated by the recent experimental effort utilizing the Total Absorption Gamma-ray Spectrometer (TAGS) to determine individual beta-decay transition probabilities to individual nuclear levels. Accurate predictions of decay heating require a detailed understanding of these transition probabilities, accurate representation of particle decays as well as reliable predictions of temporal inventories from fissioning systems. We will discuss a recent LANL effort to provide a time dependent study of particle emission from fission products through a combination of Quasiparticle Random Phase Approximation (QRPA) predictions of beta-decay probabilities, statistical Hauser-Feshbach techniques to obtain particle and gamma-ray emissions in statistical Hauser-Feshbach and the nuclear inventory code, CINDER. C1 [Holloway, S. T.; Kawano, Toshihiko; Moeller, Peter] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Holloway, ST (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM sholloway@lanl.gov OI Moller, Peter/0000-0002-5848-3565 NR 18 TC 6 Z9 6 U1 0 U2 3 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 875 EP 878 DI 10.3938/jkps.59.875 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500026 ER PT J AU Vogt, R Randrup, J Pruet, J Younes, W AF Vogt, R. Randrup, J. Pruet, J. Younes, W. TI Calculation of Pu-239 Fission Observables in an Event-by-Event Simulation SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Fission models; Covariances ID NEUTRON SPECTRA; PROMPT NEUTRONS; ENERGY; FRAGMENTS; PU239; U235 AB The increased interest in more exclusive fission observables has demanded more detailed models. We describe a new computational model, FREYA, that aims to meet this need by producing large samples of complete fission events from which any observable of interest can then be extracted consistently, including any interesting correlations. The various model assumptions are described and the potential utility of the model is illustrated. As a concrete example, we use formal statistical methods, experimental data on neutron production in neutron-induced fission of Pu-239, along with FREYA, to develop quantitative insights into the relation between reaction observables and detailed microscopic aspects of fission. Current measurements of the mean number of prompt neutrons emitted in fission taken together with less accurate current measurements of the prompt post-fission neutron energy spectrum, up to the threshold for multi-chance fission, place remarkably fine constraints on microscopic theories. C1 [Vogt, R.; Pruet, J.; Younes, W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Vogt, R.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Randrup, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Vogt, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM vogt2@llnl.gov NR 16 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 895 EP 898 DI 10.3938/jkps.59.895 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500031 ER PT J AU Vogt, R AF Vogt, R. TI Generalized Energy-Dependent Q Values for Fission SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Nuclear data; Fission energy release; ENDF ID THERMAL-NEUTRON FISSION; ACTINOID FILE 2008 AB We extend Mad land's parameterization of the energy release in fission to obtain the dependence of the fission Q value for major and minor actinides on the incident neutron energies in the range 0 <= E(n) <= 20 MeV. Our parameterization is based on the actinide evaluations recommended for the ENDF/B-VII.1 release. C1 [Vogt, R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Vogt, R.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Vogt, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM vogt2@llnl.gov NR 15 TC 3 Z9 3 U1 0 U2 2 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 899 EP 902 DI 10.3938/jkps.59.899 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500032 ER PT J AU Pereslavtsev, P Konobeyev, A Fischer, U Leal, L AF Pereslavtsev, P. Konobeyev, A. Fischer, U. Leal, L. TI Evaluation of Cr-50, Cr-52, Cr-53, Cr-54 Neutron Cross Section Data for Energies up to 200 MeV SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Chromium; Evaluated data files; Covariances ID MODELS AB This work is on the evaluation of high energy general purpose neutron cross section data for the stable isotopes Cr-50, Cr-52, Cr-53 and Cr-54. The GNASH and TALYS codes were applied for the nuclear reaction calculations that involve neutrons, protons, deuterons, tritons, hellions, alphas and photons in the energy range from 1 keV up to 200 MeV. The main focus of this work was on the quality of the evaluated data and their representation in ENDF files prepared in accordance with ENDF-6 format rules. Global optical model potentials were used for all particles in the calculations. The Geometry-Dependent Hybrid preequilibrium model (GDH) was included in TALYS for a better description of the complex particle emissions. The best fit of the experimental data was achieved by adjusting the nuclear model parameters. The data files include also newly evaluated resonance parameters and their covariances. Covariance data for all reaction channels were evaluated by the Unified Monte Carlo Approach. The new structure of the evaluated data files is discussed. C1 [Pereslavtsev, P.; Konobeyev, A.; Fischer, U.] Karlsruhe Inst Technol, Inst Neutron Phys & Reactor Technol, D-76344 Eggenstein Leopoldshafen, Germany. [Leal, L.] Oak Ridge Natl Lab, Nucl Data Grp & Crit Safety, Oak Ridge, TN 37831 USA. RP Pereslavtsev, P (reprint author), Karlsruhe Inst Technol, Inst Neutron Phys & Reactor Technol, D-76344 Eggenstein Leopoldshafen, Germany. EM pavel.pereslavtsev@kit.edu NR 11 TC 0 Z9 0 U1 1 U2 1 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 931 EP 934 DI 10.3938/jkps.59.931 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500040 ER PT J AU Laptev, AB Haight, RC Arndt, RA Briscoe, WJ Paris, MW Strakovsky, II Workman, RL AF Laptev, A. B. Haight, R. C. Arndt, R. A. Briscoe, W. J. Paris, M. W. Strakovsky, I. I. Workman, R. L. TI The Recent Absolute Total np and pp Cross Section Determinations: Quality of Data Description and Prediction of Experimental Observables SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Partial-wave analysis; Cross sections; np and pp scattering ID PARTIAL-WAVE ANALYSIS; NUCLEAR-DATA LIBRARY AB The absolute total cross sections for np and pp scattering below 1000 MeV are determined based on partial-wave analyses (PWAs) of nucleon-nucleon scattering data. These cross sections are compared with the most recent ENDF/B-VII.0 and JENDL-3.3 data files, and the Nijmegen PWA. Systematic deviations from the ENDF/B-VII.0 and JENDL-3.3 evaluations are found to exist in the low-energy region. Comparison of the np evaluation with the result of most recent up total and differential cross section measurements will be discussed. Results of those measurements were not used in the evaluation database. A comparison was done to check a quality of evaluation and its capabilities to predict experimental observables. Excellent agreement was found between the new experimental data and our PWA predictions. C1 [Laptev, A. B.; Haight, R. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Arndt, R. A.; Briscoe, W. J.; Paris, M. W.; Strakovsky, I. I.; Workman, R. L.] George Washington Univ, Dept Phys, Ctr Nucl Studies, Washington, DC 20052 USA. RP Laptev, AB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM alaptev@lanl.gov RI Laptev, Alexander/D-4686-2009 OI Laptev, Alexander/0000-0002-9759-9907 NR 12 TC 1 Z9 1 U1 0 U2 3 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 995 EP 998 DI 10.3938/jkps.59.995 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500056 ER PT J AU Sin, M Oblozinsky, P Herman, M Capote, R AF Sin, Mihaela Oblozinsky, Pavel Herman, Michal Capote, Roberto TI Fission Cross Section Calculations of Actinides with EMPIRE Code SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ND2010; Nuclear data; ENDF AB Theoretical calculations of neutron induced reactions on (233),(234),(236)U, (237)Np, (238-242)Pu, (241,243)Am, (242-246)Cm carried out in the energy range 1 keV - 20 MeV with EMPIRE code are presented, with emphasis on the fission channel. Beside a consistent, accurate set of calculations, the paper contains arguments supporting the choice of the reaction models and input parameters. A special attention is paid to the fission model parameters and their uncertainties. C1 [Sin, Mihaela] Univ Bucharest, Bucharest, Romania. [Oblozinsky, Pavel; Herman, Michal] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. [Capote, Roberto] IAEA, Nucl Data Sect, Vienna Int Ctr, A-1400 Vienna, Austria. RP Sin, M (reprint author), Univ Bucharest, Bucharest, Romania. EM mihaela.sin@g.unibuc.ro RI Capote Noy, Roberto/M-1245-2014 OI Capote Noy, Roberto/0000-0002-1799-3438 NR 8 TC 3 Z9 3 U1 1 U2 3 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1015 EP 1018 DI 10.3938/jkps.59.1015 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500061 ER PT J AU Herman, M Katakura, J Koning, AJ Nordborg, C AF Herman, M. Katakura, J. Koning, A. J. Nordborg, C. TI International Cooperation in Nuclear Data Evaluation SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Nuclear data evaluation; International co-operation; ENDF; JEFF; JENDL; BROND; CENDL AB The OECD Nuclear Energy Agency (NEA) is organising a co-operation between the major nuclear data evaluation projects in the world. The co-operation involves the ENDF, JEFF, and JENDL projects, and, owing to the collaboration with the International Atomic Energy Agency (IAEA), also the Russian BROND and the Chinese CENDL projects. The Working Party on international nuclear data Evaluation Cooperation (WPEC), comprised of about 20 core members, manages this co-operation and meets annually to discuss progress in each evaluation project and also related experimental activities. The WPEC assesses common needs for nuclear data improvements and these needs are then addressed by initiating joint evaluation efforts. The work is performed in specially established subgroups, consisting of experts from the participating evaluation projects. The outcome of these subgroups is published in reports, issued by the NEA. Current WPEC activities comprise for example a number of studies related to nuclear data uncertainties, including a review of methods for the combined use of integral experiments and covariance data, as well as evaluations of some of the major actinides, such as (235)U and (239)Pu. This paper gives an overview of current and planned activities within the WPEC. C1 [Herman, M.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Katakura, J.] Japan Atom Energy Agcy, Ibaraki 3191195, Japan. [Koning, A. J.] Nucl Res & Consultancy Grp NRG, NL-1755 ZG Petten, Netherlands. [Nordborg, C.] OECD Nucl Energy Agcy NEA, F-92130 Issy Les Moulineaux, France. RP Herman, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM wpec@oecd-nea.org NR 6 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1028 EP 1033 DI 10.3938/jkps.59.1028 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500064 ER PT J AU Herman, M AF Herman, M. TI Development of ENDF/B-VII.1 and Its Covariance Component SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Nuclear data; ENDF/B library; Covariances; Evaluated reaction data AB The US nuclear data community, coordinated by CSEWG, is preparing release of the ENDF/B-VII.1 library. This new release will address deficiencies identified in ENDF/B-VII.0, include improved evaluations for some 50 - 60 materials and provide covariances for more than 110 materials. The major players in this undertaking are LANL, BNL, ORNL, and LLNL. We summarize deficiencies in the ENDF/B-VII.0 and outline development of the new library. We concentrate on the BNL activities which aim in providing covariances for the materials important for the design of the innovative reactors. Finally we outline a futuristic approach, known as assimilation that tries to link nuclear reaction theory and integral experiments. C1 Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11793 USA. RP Herman, M (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11793 USA. EM mwherman@bnl.gov NR 11 TC 3 Z9 3 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1034 EP 1039 DI 10.3938/jkps.59.1034 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500065 ER PT J AU Korovin, YA Natalenko, AA Konobeyev, AY Stankovskiy, AY Mashinik, SG AF Korovin, Yu. A. Natalenko, A. A. Konobeyev, A. Yu. Stankovskiy, A. Yu. Mashinik, S. G. TI High Energy Activation Data Library (HEAD-2009) SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Activation nuclear data; Accelerator-driven system; Intranuclear cascade ID INTRANUCLEAR-CASCADE CALCULATION AB A proton activation data library for 682 nuclides from 1H to Po-210 in the energy range from 150 MeV up to 1 GeV was developed. To calculate proton activation data, the MCNPX 2.6.0 and CASCADE/INPE codes were chosen. Different intranuclear cascade, preequilibrium, and equilibrium nuclear reaction models and their combinations were used. The optimum calculation models have been chosen on the basis of statistical correlations for calculated and experimental proton data taken from the EXFOR library of experimental nuclear data. All the data are written in ENDF-6 format. The library is called HEPAD-2008 (High Energy Proton Activation Data). A revision of IEAF-2005 neutron activation data library has been performed. A set of nuclides for which the cross-section data can be (and were) updated using more modern and improved models is specified, and the corresponding calculations have been made in the present work. The new version of the library is called IEAF-2009. The HEPAD-2008 and IEAF-2009 are merged to the final HEAD-2009 library. C1 [Korovin, Yu. A.; Natalenko, A. A.] INPE NRNU MEPhI, Obninsk 249040, Russia. [Konobeyev, A. Yu.] Forschungszentrum Karlsruhe, Assoc Euratom FZK, IHM, D-76021 Karlsruhe, Germany. [Stankovskiy, A. Yu.] Adv Nucl Syst Inst SCK CEN, B-2400 Mol, Belgium. [Mashinik, S. G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Korovin, YA (reprint author), INPE NRNU MEPhI, Obninsk 249040, Russia. EM korovin@iate.obninsk.ru NR 31 TC 0 Z9 0 U1 0 U2 1 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 EI 1976-8524 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1080 EP 1083 DI 10.3938/jkps.59.1080 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500074 ER PT J AU Brown, D Beck, B Descalle, MA Hoffman, R Ormand, E Navratil, P Summers, N Thompson, I Vogt, R Younes, W Barnowski, R AF Brown, D. Beck, B. Descalle, M. -A. Hoffman, R. Ormand, E. Navratil, P. Summers, N. Thompson, I. Vogt, R. Younes, W. Barnowski, R. TI Overview of the 2009 Release of the Evaluated Nuclear Data Library (ENDL2009) SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ENDF; Tantalum; Rhenium; Aluminum; Krypton; Xenon AB The Lawrence Livermore National Laboratory (LLNL) Physics Division has produced the next iteration of LLNL's evaluated nuclear database, ENDL2009. ENDL2009 is the second in a series of major ENDL library releases designed to support LLNL's current and future nuclear data needs. This library includes 585 distinct transport-ready evaluations in the neutron sub-library and many physics improvements for energy, nuclear security and stockpile stewardship. In building this library, we adopted the best of the world's nuclear data efforts including the ENDF/B-VII.0, JENDL and other libraries. A large fraction of the neutron sub-library and all of the charged-particle sub-libraries consist of new evaluations developed at LLNL for the ENDL2009 library. In addition, ENDL2009 supports new features such as energy-dependent Q values from fission, support for unresolved resonances and average momentum deposition. Finally, this release is our most highly tested release as we have strengthened our already rigorous testing regime by adding tests against LANL Activation Ratio Measurements and many new critical assemblies. Our testing is now being incorporated into our development process and is serving to guide database improvements. C1 [Brown, D.; Beck, B.; Descalle, M. -A.; Hoffman, R.; Ormand, E.; Navratil, P.; Summers, N.; Thompson, I.; Vogt, R.; Younes, W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Barnowski, R.] Univ Michigan, Nucl Engn & Radiol Sci Dept, Ann Arbor, MI 48109 USA. RP Brown, D (reprint author), Lawrence Livermore Natl Lab, Box 808, Livermore, CA 94550 USA. EM brown170@llnl.gov NR 15 TC 0 Z9 0 U1 1 U2 3 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1084 EP 1087 DI 10.3938/jkps.59.1084 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500075 ER PT J AU Briggs, JB Ellis, AN AF Briggs, J. Blair Ellis, A. Nichole TI Identification of Integral Benchmarks for Nuclear Data Testing Using DICE (Database for the International Handbook of Evaluated Criticality Safety Benchmark Experiments) SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ICSBEP; DICE; Integral experiments; Nuclear data testing AB Typical users of the International Criticality Safety Evaluation Project (ICSBEP) Handbook have specific criteria to which they desire to find matching experiments. Depending on the application, those criteria may consist of any combination of physical or chemical characteristics and/or various neutronic parameters. The ICSBEP Handbook contains a structured format helping the user narrow the search for experiments of interest. However, with nearly 4300 different experimental configurations and the ever increasing addition of experimental data, the necessity to perform multiple criteria searches have rendered these features insufficient. As a result, a relational database was created with information extracted from the ICSBEP Handbook. A users' interface was designed by OECD and DOE to allow the interrogation of this database. The database and the corresponding users' interface are referred to as DICE. DICE currently offers the capability to perform multiple criteria searches that go beyond simple fuel, physical form and spectra and includes expanded general information, fuel form, moderator/coolant, neutron-absorbing material, cladding, reflector, separator, geometry, benchmark results, spectra, and neutron balance parameters. DICE also includes the capability to display graphical representations of neutron spectra, detailed neutron balance, sensitivity coefficients for capture, fission, elastic scattering, inelastic scattering, nu-bar and mu-bar, as well as several other features. C1 [Briggs, J. Blair] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Ellis, A. Nichole] Ellis Nucl Engn LLC, Lexington, SC 29072 USA. RP Briggs, JB (reprint author), Idaho Natl Lab, 2525 North Fremont, Idaho Falls, ID 83415 USA. EM J.Briggs@inl.gov NR 3 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1115 EP 1118 DI 10.3938/jkps.59.1115 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500083 ER PT J AU Palmiotti, G Hiruta, H Salvatores, M Herman, M Oblozinsky, P Pigni, MT AF Palmiotti, G. Hiruta, H. Salvatores, M. Herman, M. Oblozinsky, P. Pigni, M. T. TI Use of Covariance Matrices in a Consistent (Multiscale) Data Assimilation for Improvement of Basic Nuclear Parameters in Nuclear Reactor Applications: from Meters to Femtometers SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Covariance; Data assimilation; Nuclear parameters; Sensitivity AB A new approach is proposed, the consistent data assimilation, that; allows to link the integral data experiment results to basic nuclear parameters employed by evaluators to generate ENDF/B point energy files in order to improve them. A practical example is provided where the sodium neutron propagation experiments, EURACOS and JANUS-8, are used to improve via modifications of (23)Na nuclear parameters (like scattering radius, resonance parameters, Optical model parameters, Statistical Hauser-Feshbach model parameters, and Preequilibrium Exciton model parameters) the agreement of calculation versus experiments for a series of measured reaction rate detectors slopes. Future work involves comparison of results against a more traditional multigroup adjustments, and extension to other isotope of interest in the reactor community as (56)Fe, actinides, and fission products. C1 [Salvatores, M.] Commissariat Energie Atom, Cadarache, France. [Herman, M.; Oblozinsky, P.; Pigni, M. T.] Brookhaven Natl Lab, Upton, NY 11973 USA. EM Giuseppe.Palmiotti@inl.gov NR 12 TC 3 Z9 3 U1 0 U2 2 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1123 EP 1128 DI 10.3938/jkps.59.1123 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500085 ER PT J AU Lell, RM McKnight, RD AF Lell, R. M. McKnight, R. D. TI New Benchmarks versus Old Benchmarks: A Comparison of the ICSBEP and CSEWG Benchmarks SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Benchmark models; CSEWG; Data validation; ENDF; Fast reactor; ICSBEP; Uncertainty ID ENDF/B-VII.0 AB This paper presents results of validation calculations for a series of fast critical assemblies based on the traditional CSEWG benchmark models and the more current ICSBEP benchmark models. Benchmark results, based on continuous-energy Monte Carlo calculations using both the CSEWG and ICSBEP benchmark representations with various evaluated nuclear data libraries, are presented for 18 critical assemblies. Results are put on a comparable basis by applying corrections associated with each of the benchmark specifications allowing consistent comparison of the validation results from each model. For some of the assemblies, significant differences are observed in the C/E values. It is also observed that the bias between these models is dependent on the evaluated data libraries. More importantly, the comparisons extend beyond the calculated results and attempt to identify the extent of the differences in the benchmark models themselves, identifying differences in masses, compositions, geometry, and dimensions. Overwhelmingly, these small model differences occurred with the introduction of necessary modeling simplifications into the older models. The ICSBEP models, though limited to testing of criticality (k(eff)), often contain more details of the experiment (and therefore introduce fewer simplifications into the models) and generally include more detailed assessment of the benchmark uncertainties, making these benchmarks of higher value for data validation. C1 [Lell, R. M.; McKnight, R. D.] Argonne Natl Lab, Argonne, IL 60439 USA. RP McKnight, RD (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rdmcknight@anl.gov NR 7 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1129 EP 1134 DI 10.3938/jkps.59.1129 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500086 ER PT J AU Briggs, JB Bess, JD AF Briggs, J. Blair Bess, John D. TI Nuclear Data Performance Testing Using Sensitive, but Less Frequently Used ICSBEP Benchmarks SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Integral benchmarks; ICSBEP; Nuclear data testing AB The International Criticality Safety Benchmark Evaluation Project (ICSBEP) has published the International Handbook of Evaluated Criticality Safety Benchmark Experiments annually since 1995. The Handbook now spans over 51,000 pages with benchmark specifications for 4,283 critical, near critical, or subcritical configurations; 24 criticality alarm placement/shielding configurations with multiple dose points for each; and 200 configurations that have been categorized as fundamental physics measurements relevant to criticality safety applications. Benchmark data in the ICSBEP Handbook were originally intended for validation of criticality safety methods and data; however, the benchmark specifications are now used extensively for nuclear data testing. There are several, less frequently used benchmarks within the Handbook that are very sensitive to thorium and certain key structural and moderating materials. Calculated results for many of those benchmarks using modern nuclear data libraries suggest there is still room for improvement. These and other highly sensitive, but rarely quoted benchmarks are highlighted and data testing results provided using the Monte Carlo N-Particle Version 5 (MCNP5) code and continuous energy ENDF/B-V, VI.8, and VII.0, JEFF-3.1, and JENDL-3.3 nuclear data libraries. C1 [Briggs, J. Blair; Bess, John D.] Idaho Natl Lab, Idaho Falls, ID USA. RP Briggs, JB (reprint author), Idaho Natl Lab, Idaho Falls, ID USA. EM j.briggs@inl.gov OI Bess, John/0000-0002-4936-9103 NR 1 TC 1 Z9 1 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1141 EP 1145 DI 10.3938/jkps.59.1141 PN 3 PG 5 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500088 ER PT J AU Dunn, ME Derrien, H Leal, LC Gil, C Kim, D AF Dunn, M. E. Derrien, H. Leal, L. C. Gil, C. Kim, D. TI Resonance Region Nuclear Data Analysis to Support Advanced Fuel Cycle Development SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Evaluation; Resonance region; (240)Pu; (237)Np; Cm ID CROSS-SECTIONS; NEUTRON; PARAMETERS; PU-240 AB The Oak Ridge National Laboratory (ORNL) and the Korean Atomic Energy Research Institute (KAERI) are performing collaborative research as part of a three-year United States (U.S.) Republic of Korea (ROK) International Nuclear Energy Research Initiative (I-NERI) project to provide improved neutron cross-section data with uncertainty or covariance data important for advanced fuel cycle and nuclear safeguards applications. ORNL and KAERI have initiated efforts to prepare new cross-section evaluations for (240)Pu, (237)Np, and the stable Cm isotopes. At the current stage of the I-NERI project, ORNL has recently completed a preliminary resonance-region cross-section evaluation with covariance data for (240)Pu and has initiated resonance evaluation efforts for (237)Np and (244)Cm. Likewise, KAERI is performing corresponding high-energy cross-section analyses (i.e., above the resonance region) for the noted isotopes. The paper provides results pertaining to the new resonance region evaluation efforts with emphasis on the new (240)Pu evaluation. C1 [Dunn, M. E.; Derrien, H.; Leal, L. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Gil, C.; Kim, D.] Korea Atom Energy Res Inst, Taejon 305353, South Korea. RP Dunn, ME (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM dunnme@ornl.gov NR 14 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1207 EP 1212 DI 10.3938/jkps.59.1207 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500104 ER PT J AU Mattoon, CM Oblozinsky, P AF Mattoon, C. M. Oblozinsky, P. TI Issues in Neutron Cross Section Covariances SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ND2010; Nuclear data; ENDF; Neutron cross sections; Covariances; Quality assurance AB We review neutron cross section covariances in both the resonance and fast neutron regions with the goal to identify existing issues in evaluation methods and their impact on covariances. We also outline ideas for suitable covariance quality assurance procedures. We show that the topic of covariance data remains controversial, the evaluation methodologies are not fully established and covariances produced by different approaches have unacceptable spread. The main controversy is in very low uncertainties generated by rigorous evaluation methods and much larger uncertainties based on simple estimates from experimental data. Since the evaluators tend to trust the former, while the users tend to trust the latter, this controversy has considerable practical implications. Dedicated effort is needed to arrive at covariance evaluation methods that would resolve this issue and produce results accepted internationally both by evaluators and users. C1 [Mattoon, C. M.; Oblozinsky, P.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP Mattoon, CM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mattoon1@llnl.gov NR 15 TC 4 Z9 4 U1 1 U2 1 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1242 EP 1247 DI 10.3938/jkps.59.1242 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500110 ER PT J AU Griffin, PJ Peters, CD AF Griffin, P. J. Peters, C. D. TI Use of Model-based Covariance Estimates in Dosimetry Applications SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ND2010; Nuclear data; Dosimetry; Covariance; Uncertainties; ASTM; Spectrum adjustment AB Improved nuclear physics modelling codes and computational methods have made significant advances in recent years and have enabled the cross section modelling community to automate the parameter variation and generate model-based cross section evaluations that include covariance matrices. Current dosimetry community standards do not permit the use of purely model-based cross sections for many applications, e.g., for spectrum adjustment in support of pressure vessel surveillance activities. This paper examines the implications of using model-based cross section libraries for typical dosimetry applications. C1 [Griffin, P. J.] Sandia Natl Labs, Appl Nucl Technol Dept, Albuquerque, NM 87185 USA. [Peters, C. D.] Sandia Staffing Alliance, Albuquerque, NM 87110 USA. RP Griffin, PJ (reprint author), Sandia Natl Labs, Appl Nucl Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM pjgriff@sandia.gov NR 8 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1248 EP 1251 DI 10.3938/jkps.59.1248 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500111 ER PT J AU Palmiotti, G Assawaroongruengchot, M Salvatores, M Herman, M Oblozinsky, P Marroon, C Pigni, M AF Palmiotti, G. Assawaroongruengchot, M. Salvatores, M. Herman, M. Oblozinsky, P. Marroon, C. Pigni, M. TI Nuclear Data Target Accuracies for Generation-IV Systems Based on the Use of New Covariance Data SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Covariance; Target accuracy; Sensitivity; Integral parameters AB A target accuracy assessment using new available covariance data, the AFCI 1.2 covariance data, has been carried out. At the same time, the more theoretical issue of taking into account correlation terms in target accuracy assessment studies has been deeply investigated. The impact of correlation terms is very significant in target accuracy assessment evaluation and can produce very stringent requirements on nuclear data. For this type of study a broader energy group structure should be used, in order to smooth out requirements and provide better feedback information to evaluators and cross section measurement experts. The main difference in results between using BOLNA or AFCI 1.2 covariance data are related to minor actinides, minor Pu isotopes, structural materials (in particular Fe56), and coolant isotopes (Na23) accuracy requirements. C1 [Salvatores, M.] Commissariat Energie Atom, Cadarache, France. [Herman, M.; Oblozinsky, P.; Marroon, C.; Pigni, M.] Brookhaven Natl Lab, Upton, NY 11973 USA. EM Giuseppe.Palmiotti@inl.gov NR 6 TC 6 Z9 6 U1 0 U2 2 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1264 EP 1267 DI 10.3938/jkps.59.1264 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500115 ER PT J AU De Saint Jean, C Habert, B Noguere, G Bernard, D Ruggieri, JM Leal, L Derrien, H AF De Saint Jean, C. Habert, B. Noguere, G. Bernard, D. Ruggieri, J. M. Leal, L. Derrien, H. TI Covariances for Pu-239 Induced Cross Section in the Resonance Range Using the CONRAD Code SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Pu-239; Nuclear data; Cross sections; Covariances AB This paper will present the evaluation of neutron induced cross sections covariances for the Pu-239 in the resonance range. The methodology used is based on marginalization and retroactive technique to allow the treatment of experimental systematic uncertainties such as normalization. In addition, as sensitivity studies performed on iso-thermal temperature moderator analysis have demonstrated the need for improving the description of the Pu-239 neutron cross sections in the sub-thermal energy range and knowing the poor accuracy of the EXFOR data below the thermal energy range, integral trends have to be taken into account in this evaluation work. The focus of the presentation is to show results obtained on the Pu-239 capture and fission neutron cross sections in the resonance range with an exhaustive integral validation. C1 [De Saint Jean, C.; Habert, B.; Noguere, G.; Bernard, D.; Ruggieri, J. M.] CEA, DEN, F-13108 St Paul Les Durance, France. [Leal, L.; Derrien, H.] ORNL, Oak Ridge, TN USA. RP De Saint Jean, C (reprint author), CEA, DEN, F-13108 St Paul Les Durance, France. EM cyrille.de-saint-jean@cea.fr RI De Saint Jean, Cyrille/E-8853-2011 NR 11 TC 1 Z9 1 U1 0 U2 1 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1280 EP 1283 DI 10.3938/jkps.59.1280 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500119 ER PT J AU Capote, R Smith, DL AF Capote, R. Smith, D. L. TI Unified Monte Carlo and Mixed Probability Functions SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Nuclear data evaluation; Uncertainties; Covariances; Unified monte carlo AB The possibility of using the recently suggested Unified Monte Carlo (UMC) technique for the evaluation of nuclear reaction data other than those that are normally distributed is discussed in this paper. The alternative probability distributions examined here are: 1) lognormal distribution; 2) uniform interval distribution; and 3) exponential distribution. These distributions, together with the normal distribution, are capable of addressing most situations that are likely to be encountered in evaluating nuclear reaction data. The mathematical formalism is described and numerical examples are provided showing instances when the UMC method can lead to results which are quite different from those obtained using the Generalized Least Squares (GLS) method. We conclude that: 1) the GLS method gives reasonable results comparable to UMC for probability functions closely resembling symmetric normal distributions with small to modest uncertainties, but the UMC results are more reliable for broad or strongly asymmetric distributions; 2) the lognormal distribution can be used to good advantage in certain situations involving large uncertainties; 3) use of the uniform and exponential distributions by evaluators should be discouraged. C1 [Capote, R.] IAEA, Nucl Data Sect, A-1400 Vienna, Austria. [Smith, D. L.] Argonne Natl Lab, Nucl Engn Div, Coronado, CA 92118 USA. RP Capote, R (reprint author), IAEA, Nucl Data Sect, A-1400 Vienna, Austria. EM r.capotenoy@iaea.org RI Capote Noy, Roberto/M-1245-2014 OI Capote Noy, Roberto/0000-0002-1799-3438 NR 4 TC 6 Z9 6 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1284 EP 1287 DI 10.3938/jkps.59.1284 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500120 ER PT J AU Yang, WS Aliberti, G McKnight, RD AF Yang, W. S. Aliberti, G. McKnight, R. D. TI Application of AFCI Covariance Data to Uncertainty Evaluation of Fast System Integral Parameters SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE AFCI-1.2 covariance data; Fast reactor; Integral parameter uncertainty AB This paper presents the application results of the AFCI-1.2 covariance data to the uncertainty evaluation of the main integral parameters of a series of fast systems with different fuel types, coolants, and transuranic element conversion ratios. Using generalized and depletion perturbation theory methods, sensitivity coefficients were calculated for the multiplication factor, Doppler coefficient, coolant void worth, and burnup reactivity swing. The uncertainties of these integral parameters were evaluated with the AFCI-1.2 covariance data and compared with those obtained with the BOLNA covariance data. The overall uncertainties estimated with the AFCI-1.2 data were generally comparable with those obtained with the BOLNA data. However, relative to the BOLNA data, the AFCI-1.2 data resulted in significantly increased contributions of (238)Pu fission and (241)Am fission cross sections, but significantly reduced contributions of (244)Cm fission, (238)U capture, (56)Fe inelastic scattering, and (10)B (n,alpha) cross sections. C1 [Yang, W. S.; Aliberti, G.; McKnight, R. D.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Yang, WS (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM wyang@anl.gov NR 16 TC 1 Z9 1 U1 2 U2 3 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1288 EP 1291 DI 10.3938/jkps.59.1288 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500121 ER PT J AU Otuka, N Dunaeva, S Dupont, E Schwerer, O Blokhin, A AF Otuka, N. Dunaeva, S. Dupont, E. Schwerer, O. Blokhin, A. TI The Role of the Nuclear Reaction Data Centres in Experimental Nuclear Data Knowledge Sharing SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE NRDC; EXFOR; CINDA; ENDF; Nuclear reaction; Experimental data AB The International Network of Nuclear Reaction Data Centres (NRDC) consists of 14 data centres from 10 countries and 2 international organisations, and is collaborating for compilation, exchange and dissemination of various types of nuclear reaction data information. The nuclear data centres common data collection, the EXFOR library today contains experimental information and numerical data from more than 18,000 experiments consisting of more than 134,000 data sets mainly of nuclear reaction data for incident neutrons, charged-particles and photons with incident energy lower than 1 GeV. A brief history and the current status of NRDC collaboration are presented for EXFOR as well as CINDA and ENDF. C1 [Otuka, N.; Dunaeva, S.] IAEA, Nucl Data Sect, A-1400 Vienna, Austria. [Dupont, E.] OECD NBA Data Bank, F-92130 Issy Les Moulineaux, France. [Schwerer, O.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. [Blokhin, A.] Fiziko Energeticheskij Inst, Ctr Jadernykh Dannykh, Obninsk 249033, Russia. RP Otuka, N (reprint author), IAEA, Nucl Data Sect, A-1400 Vienna, Austria. EM n.otsuka@iaea.org NR 23 TC 10 Z9 10 U1 1 U2 5 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1292 EP 1297 DI 10.3938/jkps.59.1292 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500122 ER PT J AU Audi, G Wang, M Wapstra, AH Pfeiffer, B Kondev, FC AF Audi, G. Wang, M. Wapstra, A. H. Pfeiffer, B. Kondev, F. C. TI Atomic Mass Evaluation: the Mass Tables SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Evaluated experimental masses; Mass tables; Mass surface; AME2003; AME2013; Neutron drip-line; r-process ID ABUNDANCES AB The advent of the "AME-Future" project a year and a half ago rendered the realization of a new mass table possible in the very near future: the AME2013 mass table. A large number of the new experimental data obtained from different laboratories have already been analyzed. They exhibit important changes in the mass surface. Most of these changes lift the mass surface to higher masses (reduced binding energies). The rise can be explained by previously under-estimated Q(beta) data of exotic species due to missed levels. Some consequences of this change are expected in calculations using the nuclear masses as one of their ingredients. We will discuss here the expected impact on the nucleo-synthesis r-process path in astrophysics. C1 [Audi, G.] Univ Paris 11, CNRS, IN2P3, CSNSM, F-91405 Orsay, France. [Wang, M.] Chinese Acad Sci, IMP, Lanzhou 730000, Peoples R China. [Wapstra, A. H.] NIKHEF, NL-1009 DB Amsterdam, Netherlands. [Pfeiffer, B.] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. [Kondev, F. C.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Audi, G (reprint author), Univ Paris 11, CNRS, IN2P3, CSNSM, Batiment 108, F-91405 Orsay, France. EM amdc.audi@gmail.com NR 12 TC 3 Z9 3 U1 0 U2 4 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1318 EP 1321 DI 10.3938/jkps.59.1318 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500127 ER PT J AU Tuli, JK Sonzogni, A AF Tuli, Jagdish K. Sonzogni, Alejandro TI NNDC Data Services SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ENSDF; Nuclear data; NuDat; ENDF; NSR ID ATOMIC MASS EVALUATION AB The National Nuclear Data Center has provided remote access to some of its resources since 1986. The major databases and other resources available currently through NNDC Web site are summarized. C1 [Tuli, Jagdish K.; Sonzogni, Alejandro] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP Tuli, JK (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. EM tuli@bnl.gov NR 8 TC 1 Z9 1 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1325 EP 1328 DI 10.3938/jkps.59.1325 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500129 ER PT J AU Carlson, AD Pronyaev, VG Hambsch, FJ Kappeler, F Mannhart, W Mengoni, A Nelson, RO Talou, P Tagesen, S Vonach, H AF Carlson, Allan D. Pronyaev, Vladimir G. Hambsch, Franz-Josef Kaeppeler, Franz Mannhart, Wolf Mengoni, Alberto Nelson, Ronald O. Talou, Patrick Tagesen, Siegfried Vonach, Herbert TI An Update of the Nuclear Data Standards Activities SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Standards; Standard cross sections; Fission neutron spectrum; ND2010; Nuclear data; ENDF ID CAPTURE CROSS-SECTION; DETECTOR AB To allow new experimental data and improvements in evaluation procedure to be used in a timely manner in producing standards evaluations, an IAEA Data Development Project was initiated. For this project, it was decided that, in addition to the traditional activities related to standards, studies should be done on the possibility of extending the energy ranges of the standards and whether to include "reference data" that are not as well known as the standards but can be very useful in the measurements of certain types of cross sections. Activities include; an update of the experimental database for the traditional standards; improvements in smoothing procedures for capture cross sections, a review of the status of Cf-252 spontaneous fission neutron spectrum measurements; new work on the U-235 thermal neutron induced fission neutron spectrum that is not a standard but is important for reactor applications; improved calculations for fission neutron spectra; consideration of the Au-197 capture reaction as a reference cross section for capture cross-section measurements at energies of importance to astrophysics; and a study of reference cross sections for prompt gamma-ray production in fast neutron-induced reactions. A review of the progress made by this project will be given. C1 [Carlson, Allan D.] NIST, Gaithersburg, MD 20899 USA. [Pronyaev, Vladimir G.] Inst Phys & Power Engn, Obninsk 249033, Kaluga Region, Russia. [Hambsch, Franz-Josef] EC JRC IRMM, B-2400 Geel, Belgium. [Kaeppeler, Franz] Karlsruhe Inst Technol, IK, D-76021 Karlsruhe, Germany. [Mannhart, Wolf] Phys Tech Bundesanstalt, D-38116 Braunschweig, Germany. [Mengoni, Alberto] Natl Agcy New Technol Energy & Sustainable Econ D, Bologna, Italy. [Nelson, Ronald O.] Los Alamos Natl Lab, LANSCE NS, Los Alamos, NM 87545 USA. [Talou, Patrick] Los Alamos Natl Lab, Grp T16, Los Alamos, NM 87545 USA. [Tagesen, Siegfried; Vonach, Herbert] Univ Vienna, Inst Isotopenforsch & Kernphys, A-1090 Vienna, Austria. RP Carlson, AD (reprint author), NIST, 100 Bur Dr,Stop 8463, Gaithersburg, MD 20899 USA. EM carlson@nist.gov RI Mengoni, Alberto/I-1497-2012 OI Mengoni, Alberto/0000-0002-2537-0038 NR 26 TC 3 Z9 3 U1 0 U2 4 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1390 EP 1395 DI 10.3938/jkps.59.1390 PN 3 PG 6 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500144 ER PT J AU Tovesson, F Laptev, AB Hill, TS AF Tovesson, F. Laptev, A. B. Hill, T. S. TI Fission Cross Section Measurements of Actinides at LANSCE SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Fission; Cross sections AB Fission cross sections of a range of actinides have been measured at the Los Alamos Neutron Science Center (LANSCE) in support of nuclear energy applications. By combining measurement at two LANSCE facilities, Lujan Center and the Weapons Neutron Research center (WNR), differential cross sections can be measured from sub-thermal energies up to 200 MeV. Incident neutron energies are determined using the time-of-flight method, and parallel-plate ionization chambers are used to measure fission cross sections relative to the (235)U standard. Recent measurements include the (233,238)U, (239-242)Pu, and (243)m neutron-induced fission cross sections. In this paper preliminary results for fission cross sections of (243)Am and (233)U will be presented. C1 [Tovesson, F.; Laptev, A. B.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Hill, T. S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Tovesson, F (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM tovesson@lanl.gov RI Laptev, Alexander/D-4686-2009 OI Laptev, Alexander/0000-0002-9759-9907 NR 11 TC 0 Z9 0 U1 0 U2 6 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1400 EP 1403 DI 10.3938/jkps.59.1400 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500146 ER PT J AU Ullmann, JL Couture, AJ Keksis, AL Vieira, DJ O'Donnell, JM Wouters, JM Jandel, M Haight, RC Rundberg, RS Bredeweg, TA Kawano, T Wu, CY Becker, JA Chyzh, A Baramsai, B Mitchell, GE Krticka, M AF Ullmann, J. L. Couture, A. J. Keksis, A. L. Vieira, D. J. O'Donnell, J. M. Wouters, J. M. Jandel, M. Haight, R. C. Rundberg, R. S. Bredeweg, T. A. Kawano, T. Wu, C. Y. Becker, J. A. Chyzh, A. Baramsai, B. Mitchell, G. E. Krticka, M. TI Measurement of the U-238 Neutron-capture Cross Section and Gamma-emission Spectra from 10 eV to 100 keV Using the DANCE Detector at LANSCE SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE Neutron capture; U-238; Photon strength function AB A careful new measurement of the U-238(n, gamma) cross section from 10 eV to 100 keV has been made using the DANCE detector at LANSCE. DANCE is a 4 pi calorimetric scintillator array consisting of 160 BaF2 crystals. Measurements were made on a 48 mg/cm(2) depleted uranium target. The cross sections are in general in good agreement with previous measurements. The gamma-ray emission spectra, as a function of gamma multiplicity, were also measured and compared to model calculations. C1 [Ullmann, J. L.; Couture, A. J.; Keksis, A. L.; Vieira, D. J.; O'Donnell, J. M.; Wouters, J. M.; Jandel, M.; Haight, R. C.; Rundberg, R. S.; Bredeweg, T. A.; Kawano, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Wu, C. Y.; Becker, J. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Chyzh, A.; Baramsai, B.; Mitchell, G. E.] N Carolina State Univ, Raleigh, NC 27695 USA. [Krticka, M.] Charles Univ Prague, Prague, Czech Republic. RP Ullmann, JL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ullmann@lanl.gov NR 10 TC 3 Z9 3 U1 0 U2 4 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1406 EP 1409 DI 10.3938/jkps.59.1406 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500148 ER PT J AU Johnson, MS Hall, JM McNabb, DP McFarland, JL Norman, EB Bertozzi, W Korbly, SE Ledoux, RJ Park, WH AF Johnson, M. S. Hall, J. M. McNabb, D. P. McFarland, J. L. Norman, E. B. Bertozzi, W. Korbly, S. E. Ledoux, R. J. Park, W. H. TI Applications of Photonuclear Physics for International Safeguards and Security SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE ND2010; Nuclear data; NRF; Nuclear resonance fluorescence ID NUCLEAR-RESONANCE FLUORESCENCE AB Studies of nuclear resonance fluorescence. based applications are presented. Important for these applications are data for isotopes such as Pu-239. Nuclear resonance fluorescence measurements of Pu-239 were performed at the free electron laser facility at UC Santa Barbara using photons from a bremsstrahlung beam with an endpoint energies between 4.0 MeV and 5.5 MeV. Though no discrete states with significant confidence level were measured, we have excluded the region above 27(3) eV-barns, or 4-sigma, where we would expect only a small chance of false positives. Details of the measurements and the results are presented here. C1 [Johnson, M. S.; Hall, J. M.; McNabb, D. P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Johnson, M. S.] San Jose State Univ, San Jose, CA 95192 USA. [McFarland, J. L.; Norman, E. B.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Bertozzi, W.; Korbly, S. E.; Ledoux, R. J.; Park, W. H.] Passport Syst Inc, Acton, MA 01720 USA. RP Johnson, MS (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM johnson329@llnl.gov NR 13 TC 0 Z9 0 U1 1 U2 4 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1414 EP 1417 DI 10.3938/jkps.59.1414 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500150 ER PT J AU Chang, HL Gao, FX Ko, WI Kim, HD Lee, SY AF Chang, H. L. Gao, F. X. Ko, W. I. Kim, H. D. Lee, S. Y. TI Evaluation of Sigma-MUF (Material Unaccounted For) for the Conceptually Designed Korea Advanced Pyroprocess Facility SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE KAPF; Pyroprocessing; MUF; ITV; Safeguards AB The Korea Advanced Pyroprocess Facility (KAPF) is a conceptual facility for spent PWR, fuel management in the Republic of Korea. Its main function is to produce transuranic metal fuel for a sodium-cooled fast reactor by pyroprocessing spent pressurized water reactor fuel, thereby reducing the volume of spent PWR fuel. The facility MUF (Material Unaccounted For) for a given material balance period is the key index used by the IAEA in its quantitative assessment of facility performance with respect to its control of the nuclear materials involved. To investigate whether the safeguards system for the KAPF would meet the IAEA detection goal, the sigma-MUF value was evaluated based on a hypothetical operating scenario. The measurement methods used for the material accounting in a hot cell environment were assumed to have random and systematic uncertainties based on the International Target Value (ITV) 2000 for measurement uncertainties in safeguarding nuclear materials. With the measurement uncertainties of the safeguards approach and sampling procedures; the evaluated sigma-MUF of the KAPF suggests that the designed safeguards approach can meet typical IAEA detection goals for campaigns of one month or less for the KAPF with a 100 MTHM/yr throughput. C1 [Chang, H. L.; Gao, F. X.; Ko, W. I.; Kim, H. D.] Korea Atom Energy Res Inst, Taejon 305353, South Korea. [Lee, S. Y.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chang, HL (reprint author), Korea Atom Energy Res Inst, Taejon 305353, South Korea. EM hlchang@kaeri.re.kr NR 6 TC 2 Z9 2 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD AUG PY 2011 VL 59 IS 2 SI SI BP 1418 EP 1421 DI 10.3938/jkps.59.1418 PN 3 PG 4 WC Physics, Multidisciplinary SC Physics GA 809TV UT WOS:000294080500151 ER PT J AU Richter, FM Mendybaev, RA Christensen, JN Ebel, D Gaffney, A AF Richter, Frank M. Mendybaev, Ruslan A. Christensen, John N. Ebel, Denton Gaffney, Amy TI Laboratory experiments bearing on the origin and evolution of olivine-rich chondrules SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID EARLY SOLAR NEBULA; ISOTOPIC FRACTIONATION; EXPERIMENTAL CONSTRAINTS; MASS FRACTIONATION; SILICATE MELTS; EVAPORATION; SYSTEM; CONDENSATION; POTASSIUM; IRON AB Evaporation rates of K(2)O, Na(2)O, and FeO from chondrule-like liquids and the associated potassium isotopic fractionation of the evaporation residues were measured to help understand the processes and conditions that affected the chemical and isotopic compositions of olivine-rich type IA and type IIA chondrules from Semarkona. Both types of chondrules show evidence of having been significantly or totally molten. However, these chondrules do not have large or systematic potassium isotopic fractionation of the sort found in the laboratory evaporation experiments. The experimental results reported here provide new data regarding the evaporation kinetics of sodium and potassium from a chondrule-like melt and the potassium isotopic fractionation of evaporation residues run under various conditions ranging from high vacuum to pressures of one bar of H(2) + CO(2), or H(2), or helium. The lack of systematic isotopic fractionation of potassium in the type IIA and type IA chondrules compared with what is found in the vacuum and one-bar evaporation residues is interpreted as indicating that they evolved in a partially closed system where the residence time of the surrounding gas was sufficiently long for it to have become saturated in the evaporating species and for isotopic equilibration between the gas and the melt. A diffusion couple experiment juxtaposing chondrule-like melts with different potassium concentrations showed that the diffusivity of potassium is sufficiently fast at liquidus temperatures (D(K) > 2 x 10(-4) cm(2) s(-1) at 1650 degrees C) that diffusion-limited evaporation cannot explain why, despite their having been molten, the type IIA and type IA chondrules show no systematic potassium isotopic fractionation. C1 [Richter, Frank M.; Mendybaev, Ruslan A.] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Christensen, John N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Ebel, Denton] Amer Museum Nat Hist, New York, NY 10024 USA. [Gaffney, Amy] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Richter, FM (reprint author), Univ Chicago, Dept Geophys Sci, 5734 S Ellis Ave, Chicago, IL 60637 USA. EM richter@geosci.uchicago.edu RI Gaffney, Amy/F-8423-2014; Christensen, John/D-1475-2015 OI Gaffney, Amy/0000-0001-5714-0029; FU NASA [NNG06GE85G]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-FG02-01ER15254, A005, DE-AC02-05CH11231] FX This work was supported by the NASA Cosmochemistry Program through grant NNG06GE85G (RAM, FMR). The ongoing collaboration between Frank Richter, John Christensen, and Amy Gaffney is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy through grants under contracts DE-FG02-01ER15254, A005 and DE-AC02-05CH11231. We thank Bruce Watson of the Rensselaer Polytechnic Institute for the diffusion experiment used in this study to determine the diffusivity of potassium in a chondrule-like melt. We also thank Rachel Lindvall of the Lawrence Livermore National Laboratory for her help with the ICP-MS measurements. We thank Conel Alexander and Herbert Palme for their detailed reviews of the original manuscript, which resulted in a much improved final version of the paper. NR 57 TC 11 Z9 11 U1 3 U2 11 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD AUG PY 2011 VL 46 IS 8 BP 1152 EP 1178 DI 10.1111/j.1945-5100.2011.01220.x PG 27 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 810ZT UT WOS:000294171100006 ER PT J AU Knebe, A Knollmann, SR Muldrew, SI Pearce, FR Aragon-Calvo, MA Ascasibar, Y Behroozi, PS Ceverino, D Colombi, S Diemand, J Dolag, K Falck, BL Fasel, P Gardner, J Gottlober, S Hsu, CH Iannuzzi, F Klypin, A Lukic, Z Maciejewski, M McBride, C Neyrinck, MC Planelles, S Potter, D Quilis, V Rasera, Y Read, JI Ricker, PM Roy, F Springel, V Stadel, J Stinson, G Sutter, PM Turchaninov, V Tweed, D Yepes, G Zemp, M AF Knebe, Alexander Knollmann, Steffen R. Muldrew, Stuart I. Pearce, Frazer R. Aragon-Calvo, Miguel Angel Ascasibar, Yago Behroozi, Peter S. Ceverino, Daniel Colombi, Stephane Diemand, Juerg Dolag, Klaus Falck, Bridget L. Fasel, Patricia Gardner, Jeff Gottloeber, Stefan Hsu, Chung-Hsing Iannuzzi, Francesca Klypin, Anatoly Lukic, Zarija Maciejewski, Michal McBride, Cameron Neyrinck, Mark C. Planelles, Susana Potter, Doug Quilis, Vicent Rasera, Yann Read, Justin I. Ricker, Paul M. Roy, Fabrice Springel, Volker Stadel, Joachim Stinson, Greg Sutter, P. M. Turchaninov, Victor Tweed, Dylan Yepes, Gustavo Zemp, Marcel TI Haloes gone MAD(star): The Halo-Finder Comparison Project SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: numerical; galaxies: evolution; galaxies: haloes; cosmology: miscellaneous; cosmology: theory; dark matter ID N-BODY SIMULATIONS; COLD DARK-MATTER; ADAPTIVE MESH REFINEMENT; MASS FUNCTION; COSMOLOGICAL SIMULATIONS; FINDING ALGORITHM; DWARF SPHEROIDALS; DENSITY PROFILE; RESOLUTION CODE; GALACTIC HALO AB We present a detailed comparison of fundamental dark matter halo properties retrieved by a substantial number of different halo finders. These codes span a wide range of techniques including friends-of-friends, spherical-overdensity and phase-space-based algorithms. We further introduce a robust (and publicly available) suite of test scenarios that allow halo finder developers to compare the performance of their codes against those presented here. This set includes mock haloes containing various levels and distributions of substructure at a range of resolutions as well as a cosmological simulation of the large-scale structure of the universe. All the halo-finding codes tested could successfully recover the spatial location of our mock haloes. They further returned lists of particles (potentially) belonging to the object that led to coinciding values for the maximum of the circular velocity profile and the radius where it is reached. All the finders based in configuration space struggled to recover substructure that was located close to the centre of the host halo, and the radial dependence of the mass recovered varies from finder to finder. Those finders based in phase space could resolve central substructure although they found difficulties in accurately recovering its properties. Through a resolution study we found that most of the finders could not reliably recover substructure containing fewer than 30-40 particles. However, also here the phase-space finders excelled by resolving substructure down to 10-20 particles. By comparing the halo finders using a high-resolution cosmological volume, we found that they agree remarkably well on fundamental properties of astrophysical significance (e. g. mass, position, velocity and peak of the rotation curve). We further suggest to utilize the peak of the rotation curve, v(max), as a proxy for mass, given the arbitrariness in defining a proper halo edge. C1 [Knebe, Alexander; Knollmann, Steffen R.; Ascasibar, Yago; Yepes, Gustavo] Univ Autonoma Madrid, Fac Ciencias, Dept Fis Teor, E-28049 Madrid, Spain. [Muldrew, Stuart I.; Pearce, Frazer R.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. [Aragon-Calvo, Miguel Angel; Falck, Bridget L.; Neyrinck, Mark C.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Behroozi, Peter S.] Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. [Behroozi, Peter S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Behroozi, Peter S.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Ceverino, Daniel] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. [Colombi, Stephane] CNRS, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Colombi, Stephane] UPMC, F-75014 Paris, France. [Diemand, Juerg; Potter, Doug; Stadel, Joachim] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Dolag, Klaus; Iannuzzi, Francesca; Maciejewski, Michal] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Fasel, Patricia] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87544 USA. [Gardner, Jeff] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Gottloeber, Stefan] Astrophys Inst Potsdam, D-14482 Potsdam, Germany. [Hsu, Chung-Hsing] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Klypin, Anatoly] New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. [Lukic, Zarija] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. [McBride, Cameron] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Planelles, Susana; Quilis, Vicent] Univ Valencia, Dept Astron & Astrofis, E-46100 Burjassot, Valencia, Spain. [Rasera, Yann; Roy, Fabrice] Univ Paris Diderot, CNRS, Lab Univ & Theories LUTh, Observ Paris,UMR 8102, F-92190 Meudon, France. [Read, Justin I.] ETH, Inst Astron, Dept Phys, CH-8093 Zurich, Switzerland. [Read, Justin I.] Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. [Ricker, Paul M.; Sutter, P. M.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Ricker, Paul M.] Univ Illinois, Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA. [Springel, Volker] Heidelberg Inst Theoret Studies, D-69118 Heidelberg, Germany. [Springel, Volker] Univ Heidelberg, Zentrum Astron, ARI, D-69120 Heidelberg, Germany. [Stinson, Greg] Univ Cent Lancashire, Jeremiah Horrocks Inst, Preston PR1 2HE, Lancs, England. [Turchaninov, Victor] Russian Acad Sci, MV Keldysh Appl Math Inst, Moscow 125047, Russia. [Tweed, Dylan] Univ Paris 11, Inst Astrophys Spatiale, CNRS, F-91405 Orsay, France. [Zemp, Marcel] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. RP Knebe, A (reprint author), Univ Autonoma Madrid, Fac Ciencias, Dept Fis Teor, Modulo C-15, E-28049 Madrid, Spain. EM alexander.knebe@uam.es RI Diemand, Juerg/G-9448-2011; Pearce, Frazer/H-1503-2012; Knebe, Alexander/N-1815-2014; Yepes, Gustavo/A-7899-2010; Quilis, Vicent/E-8409-2016; OI Knebe, Alexander/0000-0003-4066-8307; Yepes, Gustavo/0000-0001-5031-7936; Quilis, Vicent/0000-0002-2852-5031; Ascasibar Sequeiros, Yago/0000-0003-1577-2479; Pearce, Frazer/0000-0002-2383-9250 FU ASTROSIM network of the European Science Foundation; Spanish Ministerio de Ciencia e Innovacion (MICINN) in Spain [AYA 2009-13875-C03-02, AYA2009-12792-C03-03, CSD2009-00064, CAM S2009/ESP-1496]; MICINN [AYA 2009-13875-C03-02, CSD-2007-00050, AYA2010-21322-C03-01, CONSOLIDER2007-00050]; Generalitat Valenciana [PROMETEO-2009-103]; NSF [AST-0708087]; Swiss National Science Foundation; W.M. Keck Foundation; Gordon and Betty Moore Foundation; DOE [DE-FG0297ER25308, W-7405-ENG-36]; Office of Science of the US Department of Energy [DE-AC05-00OR22725]; SNF [PP00P2_128540/1]; Deutsche Forschungsgemeinschaft (DFG) [1177]; Los Alamos National Laboratory; NASA; Comunidad de Madrid [S2009/ESP-1496]; US Department of Energy [DE-AC02-76SF00515] FX We are greatly indebted to the ASTROSIM network of the European Science Foundation (Science Meeting 2910) for financially supporting the workshop 'Haloes going MAD' held in Miraflores de la Sierra near Madrid in 2010 May where all of this work was initiated.; AK is supported by the Spanish Ministerio de Ciencia e Innovacion (MICINN) in Spain through the Ramon y Cajal programme as well as the grants AYA 2009-13875-C03-02, AYA2009-12792-C03-03, CSD2009-00064 and CAM S2009/ESP-1496. He further thanks Lee Hazlewood for summer wine. SRK acknowledges the support by the MICINN under the Consolider-Ingenio, SyeC project CSD-2007-00050. SP and VQ have also been supported by the MICINN (grants AYA2010-21322-C03-01 and CONSOLIDER2007-00050) and the Generalitat Valenciana (grant PROMETEO-2009-103). SP also thanks the MICINN for a FPU doctoral fellowship. MZ is supported by NSF grant AST-0708087. JD is supported by the Swiss National Science Foundation. MAA-C, BLF and MCN are grateful for discussions with and support from Alex Szalay, and funding from the W.M. Keck and Gordon and Betty Moore Foundations. PMS acknowledges support under a DOE Computational Science Graduate Fellowship (DE-FG0297ER25308). The software used by PMS and PMR in this work was in part developed by the DOE-supported ASC/Alliance Center for Astrophysical Thermonuclear Flashes at the University of Chicago. Further, PMS and PMR used resources of the National Center for Computational Sciences at the Oak Ridge National Laboratory, which is supported by the Office of Science of the US Department of Energy under contract no. DE-AC05-00OR22725. JIR would like to acknowledge support from SNF grant PP00P2_128540/1. SG and VT acknowledge support by the Deutsche Forschungsgemeinschaft (DFG). KD acknowledges the support by the DFG Priority Programme 1177 and additional support by the DFG Cluster of Excellence 'Origin and Structure of the Universe'. The work was done while C-HH was working for the Los Alamos National Laboratory. Part of the work was supported by the DOE under contract W-7405-ENG-36. C-HH, PF and ZL acknowledge support from the LDRD programme at the Los Alamos National Laboratory. ZL was supported in part by NASA. A special acknowledgment is due to supercomputing time awarded to us under the LANL Institutional Computing Initiative. GY acknowledges financial support from MICINN (Spain) under project AYA 2009-13875-C03-02 and the ASTROMADRID project S2009/ESP-1496 financed by Comunidad de Madrid. PSB received support from the US Department of Energy under contract number DE-AC02-76SF00515. NR 95 TC 127 Z9 128 U1 0 U2 4 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 AUG PY 2011 VL 415 IS 3 BP 2293 EP 2318 DI 10.1111/j.1365-2966.2011.18858.x PG 26 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811AO UT WOS:000294173900025 ER PT J AU Brzezinski, K Brzuszkiewicz, A Dauter, M Kubicki, M Jaskolski, M Dauter, Z AF Brzezinski, Krzysztof Brzuszkiewicz, Anna Dauter, Miroslawa Kubicki, Maciej Jaskolski, Mariusz Dauter, Zbigniew TI High regularity of Z-DNA revealed by ultra high-resolution crystal structure at 0.55 A(dagger) SO NUCLEIC ACIDS RESEARCH LA English DT Article ID HANDED Z-DNA; PURE-SPERMINE FORM; ATOMIC-RESOLUTION; NUCLEIC-ACIDS; MINOR-GROOVE; ANGSTROM RESOLUTION; MOLECULAR-STRUCTURE; PROTEINS; COMPLEX; POLYAMINE AB The crystal structure of a Z-DNA hexamer duplex d(CGCGCG)(2) determined at ultra high resolution of 0.55 A and refined without restraints, displays a high degree of regularity and rigidity in its stereochemistry, in contrast to the more flexible B-DNA duplexes. The estimations of standard uncertainties of all individually refined parameters, obtained by full-matrix least-squares optimization, are comparable with values that are typical for small-molecule crystallography. The Z-DNA model generated with ultra high-resolution diffraction data can be used to revise the stereochemical restraints applied in lower resolution refinements. Detailed comparisons of the stereochemical library values with the present accurate Z-DNA parameters, shows in general a good agreement, but also reveals significant discrepancies in the description of guanine-sugar valence angles and in the geometry of the phosphate groups. C1 [Brzezinski, Krzysztof; Brzuszkiewicz, Anna; Dauter, Zbigniew] NCI, Synchrotron Radiat Res Sect, MCL, Argonne Natl Lab, Argonne, IL 60439 USA. [Brzezinski, Krzysztof; Jaskolski, Mariusz] Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, Poznan, Poland. [Dauter, Miroslawa] SAIC Frederick Inc, Basic Res Program, Argonne Natl Lab, Argonne, IL 60439 USA. [Kubicki, Maciej; Jaskolski, Mariusz] Adam Mickiewicz Univ Poznan, Fac Chem, Dept Crystallog, PL-60780 Poznan, Poland. RP Dauter, Z (reprint author), NCI, Synchrotron Radiat Res Sect, MCL, Argonne Natl Lab, Argonne, IL 60439 USA. EM dauter@anl.gov FU NIH, National Cancer Institute, Center for Cancer Research; National Cancer Institute, National Institutes of Health [HHSN2612008000001E]; Polish Ministry of Science and Higher Education [N N204 005136]; National Center for Research Resources at the National Institutes of Health, NE-CAT beam line [RR-15301]; U.S. Department of Energy, Office of Basic Energy Sciences, Advanced Photon Source [W-31-109-Eng-38]; Budget of the National Cancer Institute FX Intramural Research Program of NIH, National Cancer Institute, Center for Cancer Research, and with Federal funds from the National Cancer Institute, National Institutes of Health (Contract HHSN2612008000001E, partial). Polish Ministry of Science and Higher Education (grant no. N N204 005136 to M.K.); National Center for Research Resources at the National Institutes of Health, NE-CAT beam line (award RR-15301); U.S. Department of Energy, Office of Basic Energy Sciences, Advanced Photon Source (Contract No. W-31-109-Eng-38). Funding for open access charge: Budget of the National Cancer Institute. NR 44 TC 25 Z9 25 U1 0 U2 13 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD AUG PY 2011 VL 39 IS 14 BP 6238 EP 6248 DI 10.1093/nar/gkr202 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 807SI UT WOS:000293919600042 PM 21459852 ER PT J AU Allen, K Knight, T Bays, S AF Allen, Kenneth Knight, Travis Bays, Samuel TI Benchmark of Advanced Burner Test Reactor model using MCNPX 2.6.0 and ERANOS 2.1 SO PROGRESS IN NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT Conference on Advances in Nuclear Fuel Management IV (ANFMIV) CY APR 12-15, 2009 CL Hilton Head Isl, SC DE Transmutation; Transuranic; Minor actinide; MCNPX; ERANOS; Fast reactor AB Significant research is currently being performed whereby fast reactor cores have been designed to burn transuranic materials reducing the volume and long-term radiotoxicity of spent nuclear fuel. These core and depletion models depend on various computer codes. This research used MCNPX 2.6.0 and ERANOS 2.1 to model a standard 250 MW Advanced Burner Test Reactor (ABTR) core. The intent was to benchmark criticality and burnup results from a stochastic Monte Carlo code and a deterministic depletion code using a standard ABTR model created by Argonne National Laboratory. Because each of these codes solves the transport and burnup problem differently, there is a need to benchmark the core models in order to verify results and identify root causes for significant differences in results between codes. Flux calculations in ERANOS were performed using diffusion theory, Legendre polynomial approximations (using the VARIANT module) and discrete ordinates methods. The k-effective for the higher order transport models remained within 1000 pcm of the MCNPX model. The difference between the total heavy nuclide mass balance in ERANOS using the various flux calculations and the MCNPX depletion model was less than 0.4% out to a burnup of 1095 days (67.45 GWd/MTHM). The percent delta between the codes as a. fraction of the fissioned mass was 1.34%. For the isotopes with large concentrations, such as (238)U and (239)Pu, the mass differences were 0.38% and 0.01% respectively. The mass difference for (241)Am was also small at 0.42%. Notable isotopes in small quantities with larger mass differences were (242)Am, (242)Cm, (243)Cm and (246)Cm where differences ranged from 0.1 to 0.2% after 26 days and increased to 11-136% at 1095 days. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Allen, Kenneth; Knight, Travis] Univ S Carolina, Dept Mech Engn, Nucl Engn Program, Columbia, SC 29208 USA. [Bays, Samuel] Idaho Natl Lab, Idaho Falls, ID 83403 USA. RP Allen, K (reprint author), Univ S Carolina, Dept Mech Engn, Nucl Engn Program, 300 Main St, Columbia, SC 29208 USA. EM allenks@engr.sc.edu; knighttw@engr.sc.edu; Samuel.Bays@inl.gov OI Knight, Travis/0000-0002-8517-7395 NR 14 TC 2 Z9 2 U1 0 U2 2 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 AUG PY 2011 VL 53 IS 6 BP 633 EP 644 DI 10.1016/j.pnucene.2011.01.007 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 812UW UT WOS:000294319400012 ER PT J AU Trellue, HR Bathke, CG Sadasivan, P AF Trellue, Holly R. Bathke, Charles G. Sadasivan, Pratap TI Neutronics and material attractiveness for PWR thorium systems using monte carlo techniques SO PROGRESS IN NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT Conference on Advances in Nuclear Fuel Management IV (ANFMIV) CY APR 12-15, 2009 CL Hilton Head Isl, SC DE Thorium; PWR; Material attractiveness; U-233; Burnup; MCNP ID LIGHT-WATER REACTORS; PLUTONIUM; TRANSMUTATION; FUELS AB Thorium (Th) oxide fuel offers a significant advantage over traditional low-enriched uranium and mixed uranium/plutonium oxide (MOX) fuel irradiated in a Light Water Reactor. The benefits of using thorium include the following: 1) unlike depleted uranium, thorium does not produce plutonium, 2) thorium is a more stable fuel material chemically than LEU and may withstand higher burnups, 3) the materials attractiveness of plutonium in Th/Pu fuel at high burnups is lower than in MOX at currently achievable burnups, and 4) thorium is three to four times more abundant than uranium. This paper quantifies the irradiation of thorium fuel in existing Light Water Reactors in terms of: 1) the percentage of plutonium destroyed, 2) reactivity safety parameters, and 3) material attractiveness of the final uranium and plutonium products. The Monte Carlo codes MCNP/X and the linkage code Monteburns were used for the calculations in this document, which is one of the first applications of full core Monte Carlo burnup calculations. Results of reactivity safety parameters are compared to deterministic solutions that are more traditionally used for full core computations. Thorium is fertile and leads to production of the fissile isotope (233)U, but it must be mixed with enriched uranium or reactor-/weapons-grade plutonium initially to provide power until enough (233)U builds in. One proposed fuel type, a thorium-plutonium mixture, is advantageous because it would destroy a significant fraction of existing plutonium while avoiding the creation of new plutonium. (233)U has a lower delayed neutron fraction than (235)U and acts kinetically similar to (239)PU built in from (238)U. However, as with MOX fuel, some design changes may be required for our current LWR fleet to burn more than one-third a core of Th/Pu fuel and satisfy reactivity safety limits. The calculations performed in this research show that thorium/plutonium fuel can destroy up to 70% of the original plutonium per pass at 47 GWd/MTU, whereas only about 30% can be destroyed using MOX. Additionally, the materials attractiveness of the final plutonium product of irradiated plutonium/thorium fuel is significantly reduced if high burnups (similar to 94 GWD/MTU) of the fuel can be attained. Published by Elsevier Ltd. C1 [Trellue, Holly R.; Bathke, Charles G.; Sadasivan, Pratap] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Trellue, HR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM trellue@lanl.gov NR 24 TC 14 Z9 14 U1 1 U2 11 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 AUG PY 2011 VL 53 IS 6 BP 698 EP 707 DI 10.1016/j.pnucene.2011.04.007 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 812UW UT WOS:000294319400018 ER PT J AU Vanderveld, RA Bernstein, GM Stoughton, C Rhodes, J Massey, R Johnston, D Dobke, BM AF Vanderveld, R. Ali Bernstein, Gary M. Stoughton, Chris Rhodes, Jason Massey, Richard Johnston, David Dobke, Benjamin M. TI Lossy Compression of Weak-Lensing Data SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC LA English DT Article ID IMAGE SIMULATION; TELESCOPE; SHEAR; TOMOGRAPHY; SHAPELETS; COSMOS AB Future orbiting observatories will survey large areas of sky in order to constrain the physics of dark matter and dark energy using weak gravitational lensing and other methods. Lossy compression of the resultant data will improve the cost and feasibility of transmitting the images through the space communication network. We evaluate the consequences of the lossy compression algorithm of Bernstein et al. for the high-precision measurement of weak-lensing galaxy ellipticities. This square-root algorithm compresses each pixel independently, and the information discarded is, by construction, less than the Poisson error from photon shot noise. For simulated space-based images (without cosmic rays) digitized to the typical 16 bits pixel(-1), application of the lossy compression followed by imagewise lossless compression yields images with only 2.4 bits pixel(-1), a factor of 6.7 compression. We demonstrate that this compression introduces no bias in the sky background. The compression introduces a small amount of additional digitization noise to the images, and we demonstrate a corresponding small increase in ellipticity measurement noise. The ellipticity measurement method is biased by the addition of noise, so the additional digitization noise is expected to induce a multiplicative bias on the galaxies' measured ellipticities. After correcting for this known noise-induced bias, we find a residual multiplicative ellipticity bias of m approximate to -4 x 10(-4). This bias is small when compared with the many other issues that precision weak-lensing surveys must confront; furthermore, we expect it to be reduced further with better calibration of ellipticity measurement methods. C1 [Vanderveld, R. Ali] Univ Chicago, Enrico Fermi Inst, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Vanderveld, R. Ali; Rhodes, Jason; Dobke, Benjamin M.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Vanderveld, R. Ali; Rhodes, Jason; Dobke, Benjamin M.] CALTECH, Pasadena, CA 91125 USA. [Bernstein, Gary M.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Stoughton, Chris; Johnston, David] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Massey, Richard] Royal Observ, Inst Astron, Edinburgh EH9 3HJ, Midlothian, Scotland. RP Vanderveld, RA (reprint author), Univ Chicago, Enrico Fermi Inst, Kavli Inst Cosmol Phys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM rav@kicp.uchicago.edu OI Massey, Richard/0000-0002-6085-3780 FU Kavli Institute for Cosmological Physics at the University of Chicago [NSF PHY-0114422, NSF PHY-0551142]; NASA; JPL; Fermi Research Alliance, LLC [DE-AC02-07CH11359]; US Department of Energy (DOE); National Science Foundation [AST-0607667]; DOE [DE-FG02-95ER40893]; Science and Technology Facilities Council; European Research Council [MIRG-CT-208994]; Kavli Foundation FX This work was 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. This work was also carried out in part at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with NASA, and funded by JPL's Research and Technology Development Funds. C. S. and D. J. acknowledge support from the Fermi Research Alliance, LLC, under contract DE-AC02-07CH11359 with the US Department of Energy (DOE). G. M. B. acknowledges support from grant AST-0607667 from the National Science Foundation and DOE grant DE-FG02-95ER40893. R. M. acknowledges support from a Science and Technology Facilities Council Advanced Fellowship and from European Research Council grant MIRG-CT-208994. NR 21 TC 0 Z9 0 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6280 J9 PUBL ASTRON SOC PAC JI Publ. Astron. Soc. Pac. PD AUG PY 2011 VL 123 IS 906 BP 996 EP 1003 DI 10.1086/661748 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 811XM UT WOS:000294252100013 ER PT J AU Siddaramappa, S Challacombe, JF Petersen, JM Pillai, S Hogg, G Kuske, CR AF Siddaramappa, Shivakumara Challacombe, Jean F. Petersen, Jeannine M. Pillai, Segaran Hogg, Geoff Kuske, Cheryl R. TI Common Ancestry and Novel Genetic Traits of Francisella novicida-Like Isolates from North America and Australia as Revealed by Comparative Genomic Analyses SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID TULARENSIS SUBSPECIES TULARENSIS; LIPOPOLYSACCHARIDE O-ANTIGEN; FORMERLY YERSINIA-PHILOMIRAGIA; ESCHERICHIA-COLI; THIAMIN BIOSYNTHESIS; INOSITOL MONOPHOSPHATASE; SALMONELLA-TYPHIMURIUM; NUCLEOTIDE-SEQUENCE; BETA-GALACTOSIDASE; PLASMID PEA29 AB Francisella novicida is a close relative of Francisella tularensis, the causative agent of tularemia. The genomes of F. novicida-like clinical isolates 3523 (Australian strain) and Fx1 (Texas strain) were sequenced and compared to F. novicida strain U112 and F. tularensis strain Schu S4. The strain 3523 chromosome is 1,945,310 bp and contains 1,854 protein-coding genes. The strain Fx1 chromosome is 1,913,619 bp and contains 1,819 protein-coding genes. NUCmer analyses revealed that the genomes of strains Fx1 and U112 are mostly colinear, whereas the genome of strain 3523 has gaps, translocations, and/or inversions compared to genomes of strains Fx1 and U112. Using the genome sequence data and comparative analyses with other members of the genus Francisella, several strain-specific genes that encode putative proteins involved in RTX toxin production, polysaccharide biosynthesis/modification, thiamine biosynthesis, glucuronate utilization, and polyamine biosynthesis were identified. The RTX toxin synthesis and secretion operon of strain 3523 contains four open reading frames (ORFs) and was named rtxCABD. Based on the alignment of conserved sequences upstream of operons involved in thiamine biosynthesis from various bacteria, a putative THI box was identified in strain 3523. The glucuronate catabolism loci of strains 3523 and Fx1 contain a cluster of nine ORFs oriented in the same direction that appear to constitute an operon. Strains U112 and Schu S4 appeared to have lost the loci for RTX toxin production, thiamine biosynthesis, and glucuronate utilization as a consequence of host adaptation and reductive evolution. In conclusion, comparative analyses provided insights into the common ancestry and novel genetic traits of these strains. C1 [Siddaramappa, Shivakumara; Challacombe, Jean F.; Kuske, Cheryl R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Petersen, Jeannine M.] Ctr Dis Control & Prevent, Div Vector Borne Infect Dis, Ft Collins, CO 80521 USA. [Pillai, Segaran] Dept Homeland Secur, Chem & Biol Div, Sci & Technol Directorate, Washington, DC USA. [Hogg, Geoff] Univ Melbourne, Microbiol Diagnost Unit, Publ Hlth Lab, Dept Microbiol & Immunol, Melbourne, Vic 3010, Australia. RP Kuske, CR (reprint author), Los Alamos Natl Lab, Biosci Div, Mail Stop M888, Los Alamos, NM 87545 USA. EM kuske@lanl.gov FU United States Department of Homeland Security (Chemical and Biological Division, Science and Technology Directorate) [HSHQDC-08-X-00790]; Centers for Disease Control and Prevention FX This study was funded by the United States Department of Homeland Security (Chemical and Biological Division, Science and Technology Directorate) through an interagency agreement (grant number HSHQDC-08-X-00790) and by the Centers for Disease Control and Prevention. NR 99 TC 17 Z9 19 U1 3 U2 14 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2011 VL 77 IS 15 BP 5110 EP 5122 DI 10.1128/AEM.00337-11 PG 13 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 798PW UT WOS:000293224500006 PM 21666011 ER PT J AU Jiao, YQ D'haeseleer, P Dill, BD Shah, M VerBerkmoes, NC Hettich, RL Banfield, JF Thelen, MP AF Jiao, Yongqin D'haeseleer, Patrik Dill, Brian D. Shah, Manesh VerBerkmoes, Nathan C. Hettich, Robert L. Banfield, Jillian F. Thelen, Michael P. TI Identification of Biofilm Matrix-Associated Proteins from an Acid Mine Drainage Microbial Community SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID EXTRACELLULAR POLYMERIC SUBSTANCES; PROTEOMIC ANALYSIS; ESCHERICHIA-COLI; SUBCELLULAR-LOCALIZATION; TREHALOSE METABOLISM; MEMBRANE-PROTEIN; BACTERIA; PREDICTION; GENOMES; REVEALS AB In microbial communities, extracellular polymeric substances (EPS), also called the extracellular matrix, provide the spatial organization and structural stability during biofilm development. One of the major components of EPS is protein, but it is not clear what specific functions these proteins contribute to the extracellular matrix or to microbial physiology. To investigate this in biofilms from an extremely acidic environment, we used shotgun proteomics analyses to identify proteins associated with EPS in biofilms at two developmental stages, designated DS1 and DS2. The proteome composition of the EPS was significantly different from that of the cell fraction, with more than 80% of the cellular proteins underrepresented or undetectable in EPS. In contrast, predicted periplasmic, outer membrane, and extracellular proteins were overrepresented by 3- to 7-fold in EPS. Also, EPS proteins were more basic by similar to 2 pH units on average and about half the length. When categorized by predicted function, proteins involved in motility, defense, cell envelope, and unknown functions were enriched in EPS. Chaperones, such as histone-like DNA binding protein and cold shock protein, were overrepresented in EPS. Enzymes, such as protein peptidases, disulfide-isomerases, and those associated with cell wall and polysaccharide metabolism, were also detected. Two of these enzymes, identified as beta-N-acetylhexosaminidase and cellulase, were confirmed in the EPS fraction by enzymatic activity assays. Compared to the differences between EPS and cellular fractions, the relative differences in the EPS proteomes between DS1 and DS2 were smaller and consistent with expected physiological changes during biofilm development. C1 [D'haeseleer, Patrik; Thelen, Michael P.] Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94550 USA. [Dill, Brian D.; VerBerkmoes, Nathan C.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Shah, Manesh] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Banfield, Jillian F.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. RP Thelen, MP (reprint author), Lawrence Livermore Natl Lab, Computat Directorate, 7000 E Ave,L-452, Livermore, CA 94550 USA. EM mthelen@llnl.gov RI Thelen, Michael/C-6834-2008; Thelen, Michael/G-2032-2014; Hettich, Robert/N-1458-2016; OI Thelen, Michael/0000-0002-2479-5480; Thelen, Michael/0000-0002-2479-5480; Hettich, Robert/0000-0001-7708-786X; Dill, Brian/0000-0002-4532-3044; D'haeseleer, Patrik/0000-0003-0007-8150 FU U.S. Department of Energy, Office of Science [DE-FG02-05ER64134]; U.S. Department of Energy [DE-AC52-07NA27344]; University of Tennessee-Battelle LLC [DOE-AC05-00OR22725] FX Funding for this study was provided by the U.S. Department of Energy, Office of Science, from the Genomics Sciences Program, grant DE-FG02-05ER64134. Work at LLNL was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344. ORNL is managed by University of Tennessee-Battelle LLC under contract DOE-AC05-00OR22725. NR 61 TC 20 Z9 20 U1 3 U2 25 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2011 VL 77 IS 15 BP 5230 EP 5237 DI 10.1128/AEM.03005-10 PG 8 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 798PW UT WOS:000293224500020 PM 21685158 ER PT J AU Cooper, M La Duc, MT Probst, A Vaishampayan, P Stam, C Benardini, JN Piceno, YM Andersen, GL Venkateswaran, K AF Cooper, Moogega La Duc, Myron T. Probst, Alexander Vaishampayan, Parag Stam, Christina Benardini, James N. Piceno, Yvette M. Andersen, Gary L. Venkateswaran, Kasthuri TI Comparison of Innovative Molecular Approaches and Standard Spore Assays for Assessment of Surface Cleanliness SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID RIBOSOMAL-RNA; CLEAN ROOMS; BACTERIA; SPACECRAFT; DIVERSITY; DEEP; DNA; ENVIRONMENTS; RESISTANCE; REVEALS AB A bacterial spore assay and a molecular DNA microarray method were compared for their ability to assess relative cleanliness in the context of bacterial abundance and diversity on spacecraft surfaces. Colony counts derived from the NASA standard spore assay were extremely low for spacecraft surfaces. However, the PhyloChip generation 3 (G3) DNA microarray resolved the genetic signatures of a highly diverse suite of microorganisms in the very same sample set. Samples completely devoid of cultivable spores were shown to harbor the DNA of more than 100 distinct microbial phylotypes. Furthermore, samples with higher numbers of cultivable spores did not necessarily give rise to a greater microbial diversity upon analysis with the DNA microarray. The findings of this study clearly demonstrated that there is not a statistically significant correlation between the cultivable spore counts obtained from a sample and the degree of bacterial diversity present. Based on these results, it can be stated that validated state-of-the-art molecular techniques, such as DNA microarrays, can be utilized in parallel with classical culture-based methods to further describe the cleanliness of spacecraft surfaces. C1 [Venkateswaran, Kasthuri] CALTECH, NASA, Jet Prop Lab, Pasadena, CA 91109 USA. [Piceno, Yvette M.; Andersen, Gary L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Venkateswaran, K (reprint author), CALTECH, NASA, Jet Prop Lab, Mail Stop 89,Oak Grove Dr, Pasadena, CA 91109 USA. EM kjvenkat@jpl.nasa.gov RI Andersen, Gary/G-2792-2015; Piceno, Yvette/I-6738-2016 OI Andersen, Gary/0000-0002-1618-9827; Piceno, Yvette/0000-0002-7915-4699 FU National Aeronautics and Space Administration; Mars Program Office at JPL; U.S. Department of Energy by the University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX Part of the research described in this paper was carried out by the Jet Propulsion Laboratory (JPL), California Institute of Technology, under contract with the National Aeronautics and Space Administration. This research was funded by the Mars Program Office at JPL. We are grateful to K. Buxbaum for funding. The DNA microarray portion of this study was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Berkeley National Laboratory, under contract DE-AC02-05CH11231. NR 36 TC 20 Z9 20 U1 2 U2 5 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2011 VL 77 IS 15 BP 5438 EP 5444 DI 10.1128/AEM.00192-11 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 798PW UT WOS:000293224500042 PM 21652744 ER PT J AU Shi, L Belchik, SM Wang, ZM Kennedy, DW Dohnalkova, AC Marshall, MJ Zachara, JM Fredrickson, JK AF Shi, Liang Belchik, Sara M. Wang, Zheming Kennedy, David W. Dohnalkova, Alice C. Marshall, Matthew J. Zachara, John M. Fredrickson, James K. TI Identification and Characterization of UndA(HRCR-6), an Outer Membrane Endecaheme c-Type Cytochrome of Shewanella sp Strain HRCR-6 SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ONEIDENSIS MR-1; PROTEIN PHOSPHATASES; OMCA; MTRC AB UndA(HRCR-6) was identified from the metal-reducing bacterium Shewanella sp. strain HRCR-6. Both in vivo and in vitro characterization results indicate that UndA(HRCR-6) is an outer membrane endecaheme c-type cytochrome and probably has a key functional role in the extracellular reduction of iron [Fe(III)] oxides and uranium [U(VI)] by Shewanella sp. HRCR-6. C1 [Shi, Liang] Pacific NW Natl Lab, Microbiol Grp, Richland, WA 99352 USA. RP Shi, L (reprint author), Pacific NW Natl Lab, Microbiol Grp, 902 Battelle Blvd,MSIN J4-18, Richland, WA 99352 USA. EM liang.shi@pnnl.gov RI Wang, Zheming/E-8244-2010; OI Wang, Zheming/0000-0002-1986-4357; Kennedy, David/0000-0003-0763-501X FU Office of Biological and Environmental Research (BER), U.S. Department of Energy (DOE); DOE-BER; Battelle [DE-AC05-76RLO 1830] FX This research was supported by the Subsurface Biogeochemical Research program (SBR)/Office of Biological and Environmental Research (BER), U. S. Department of Energy (DOE). A portion of the research was performed using EMSL, a national scientific user facility sponsored by the DOE-BER and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the DOE by Battelle under contract DE-AC05-76RLO 1830. NR 11 TC 12 Z9 13 U1 0 U2 17 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2011 VL 77 IS 15 BP 5521 EP 5523 DI 10.1128/AEM.00614-11 PG 3 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 798PW UT WOS:000293224500052 PM 21652739 ER PT J AU Cooperman, A Dieckmann, J Brodrick, J AF Cooperman, Alissa Dieckmann, John Brodrick, James TI Superinsulated Homes SO ASHRAE JOURNAL LA English DT Article AB Superinsulating uses conventional materials in a nonconventional way to accomplish significant energy savings achievable in any climate. The concept of superinsulating emerged in the 1980s as the cost of heating began to skyrocket. Increased insulation and air sealing with a ventilation system and nonconventional means of heating comprise a superinsulated house. Such a dwelling can save up to 75% of the annual costs for heating and cooling(1). Also, superinsulating can be accomplished during construction or significant retrofit of a dwelling, independent of its type or design. C1 [Cooperman, Alissa; Dieckmann, John] TIAX LLC, Mech Syst Grp, Cambridge, MA USA. [Brodrick, James] US DOE, Bldg Technol Program, Washington, DC USA. RP Cooperman, A (reprint author), TIAX LLC, Mech Syst Grp, Cambridge, MA USA. NR 22 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD AUG PY 2011 VL 53 IS 8 BP 66 EP + PG 5 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 806LZ UT WOS:000293810700019 ER PT J AU Samayam, IP Hanson, BL Langan, P Schall, CA AF Samayam, Indira P. Hanson, B. Leif Langan, Paul Schall, Constance A. TI Ionic-Liquid Induced Changes in Cellulose Structure Associated with Enhanced Biomass Hydrolysis SO BIOMACROMOLECULES LA English DT Article ID NEUTRON FIBER DIFFRACTION; SYNCHROTRON X-RAY; HYDROGEN-BONDING SYSTEM; ENZYMATIC-HYDROLYSIS; CRYSTAL-STRUCTURE; PRETREATMENT TECHNOLOGIES; LIGNIN; CONVERSION; RECALCITRANCE; MERCERIZATION AB The effects of varying ionic liquid pretreatment parameters on various sources of lignocellulosic biomass have been studied using X-ray powder diffraction, X-ray fiber diffraction, and compositional analysis. Comparative enzymatic hydrolysis and sugar analysis were used to relate the observed changes in cellulose structure to biomass digestibility. In this study, " the factor most clearly associated with enhanced biomass hydrolysis is the conversion of cellulose fibers from the cellulose I to the cellulose II crystal phase. C1 [Samayam, Indira P.; Schall, Constance A.] Univ Toledo, Dept Chem Engn, Toledo, OH 43606 USA. [Hanson, B. Leif] Univ Toledo, Dept Chem, Toledo, OH USA. [Hanson, B. Leif] Univ Toledo, Arts & Sci Instrumentat Ctr, Toledo, OH USA. [Langan, Paul] Oak Ridge Natl Lab, CSMB, Oak Ridge, TN 37831 USA. RP Schall, CA (reprint author), Univ Toledo, Dept Chem Engn, Toledo, OH 43606 USA. EM constance.schall@utoledo.edu RI Hanson, Bryant Leif/F-8007-2010; Langan, Paul/N-5237-2015 OI Hanson, Bryant Leif/0000-0003-0345-3702; Langan, Paul/0000-0002-0247-3122 FU U.S. Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357]; National Institutes of Health, National Center for Research Resources [RR007707]; Oak Ridge National Laboratory; Office of Biological and Environmental Research of the US Department of Energy; SuGanit Systems [09-053]; National Science Foundation [CBET 0933250] FX Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under contract no. DE-AC02-06CH11357. Use of the BioCARS Sector 14 was supported by the National Institutes of Health, National Center for Research Resources, under grant number RR007707. P.L. was supported by a Program Development grant from Oak Ridge National Laboratory. The CSMB is supported by the Office of Biological and Environmental Research of the US Department of Energy. C.S. and I.S. were partially supported by the Ohio Third Frontier Advanced Energy Program 2009 grant no. 09-053 with SuGanit Systems and National Science Foundation, CBET 0933250. NR 39 TC 47 Z9 48 U1 1 U2 42 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 J9 BIOMACROMOLECULES JI Biomacromolecules PD AUG PY 2011 VL 12 IS 8 BP 3091 EP 3098 DI 10.1021/bm200736a PG 8 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA 802CZ UT WOS:000293488200029 PM 21740062 ER PT J AU Ciferno, JP Marano, JJ Munson, RK AF Ciferno, Jared P. Marano, John J. Munson, Ronald K. TI Technology Integration Challenges SO CHEMICAL ENGINEERING PROGRESS LA English DT Article ID CARBON C1 [Ciferno, Jared P.] US DOE, Existing Plants R&D Program, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Marano, John J.] JM Energy Consulting Inc, NEIL, Pittsburgh, PA 15236 USA. [Munson, Ronald K.] Leonardo Technol Inc, NEIL, Pittsburgh, PA 15236 USA. RP Ciferno, JP (reprint author), US DOE, Existing Plants R&D Program, Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA. EM jared.ciferno@netl.doe.gov; john.marano@jm.netl.doe.gov; ronald.munson@lt.netl.doe.gov NR 13 TC 8 Z9 8 U1 1 U2 4 PU AMER INST CHEMICAL ENGINEERS PI NEW YORK PA 3 PARK AVE, NEW YORK, NY 10016-5901 USA SN 0360-7275 J9 CHEM ENG PROG JI Chem. Eng. Prog. PD AUG PY 2011 VL 107 IS 8 BP 34 EP 44 PG 11 WC Engineering, Chemical SC Engineering GA 809DQ UT WOS:000294032400014 ER PT J AU Ostroff, C Lee, CE McMeekin, J AF Ostroff, Craig Lee, Charles E. McMeekin, Judith TI Unapproved Prescription Cough, Cold, and Allergy Drug Products Recent US Food and Drug Administration Regulatory Action on Unapproved Cough, Cold, and Allergy Medications SO CHEST LA English DT Editorial Material AB The US Food and Drug Administration (FDA) drug approval and over-the-counter drug monograph processes play an essential role in ensuring that all drugs are both safe and effective for their intended uses. Manufacturers of drugs that lack required approval have not provided the FDA with evidence demonstrating that their products are safe and effective. Some of these prescription drugs have been marketed for many years and have remained on the market despite changes to the Federal Food, Drug, and Cosmetic Act, which requires approval for safety and efficacy purposes. Many health-care providers may be unaware that unapproved drugs exist because the product labels of these drugs do not disclose that they lack FDA approval. The FDA recently took action against unapproved prescription oral cough, cold, and allergy drug products because of concerns about the potential risks of these products, particularly some extended-release formulations that have not been reviewed for quality. There is a potential for medication errors because product names and labeling have not been reviewed for potential confusion, with some products inappropriately labeled for use in children aged <= 2 years. FDA-approved prescription drugs or drugs appropriately marketed as over the counter remain available for treatment of cough, cold, and allergy symptoms. Such products are of known efficacy, safety, identity, quality, and purity. Removing unapproved drugs from the marketplace and encouraging manufacturers of unapproved products to seek FDA review and approval is a top priority for the FDA. Since the initiation of the Unapproved Drugs Initiative in 2006, the FDA hasremoved similar to 1,500 unapproved products from the market and has worked with firms to bring other unapproved drugs into the approval process. The FDA remains committed to its mission of ensuring that safe and effective drugs are available to American consumers. CHEST 2011; 140(2):295-300 C1 [Lee, Charles E.; McMeekin, Judith] US FDA, Off Unapproved Drugs & Labeling Compliance, Off Compliance, Ctr Drug Evaluat & Res, Silver Spring, MD 20993 USA. [Ostroff, Craig] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Ostroff, Craig] US FDA, Res Participat Program, Off Compliance, Ctr Drug Evaluat & Res, Silver Spring, MD 20993 USA. RP Lee, CE (reprint author), US FDA, Off Unapproved Drugs & Labeling Compliance, Off Compliance, Ctr Drug Evaluat & Res, 10903 New Hampshire Ave,Bldg 51,Room 5184, Silver Spring, MD 20993 USA. EM charles.lee@fda.hhs.gov NR 14 TC 5 Z9 5 U1 0 U2 2 PU AMER COLL CHEST PHYSICIANS PI NORTHBROOK PA 3300 DUNDEE ROAD, NORTHBROOK, IL 60062-2348 USA SN 0012-3692 J9 CHEST JI Chest PD AUG PY 2011 VL 140 IS 2 BP 295 EP 300 DI 10.1378/chest.11-0981 PG 6 WC Critical Care Medicine; Respiratory System SC General & Internal Medicine; Respiratory System GA 808QS UT WOS:000293994100011 PM 21813527 ER PT J AU Chen, XW Post, WM Norby, RJ Classen, AT AF Chen, Xiongwen Post, Wilfred M. Norby, Richard J. Classen, Aimee T. TI Modeling soil respiration and variations in source components using a multi-factor global climate change experiment SO CLIMATIC CHANGE LA English DT Article ID CARBON-DIOXIDE CONCENTRATIONS; MAPLE ROOT RESPIRATION; OLD-FIELD ECOSYSTEM; ELEVATED CO2; ORGANIC-MATTER; SUGAR MAPLE; TEMPERATURE SENSITIVITY; WATER CONTENT; TERRESTRIAL ECOSYSTEMS; DECIDUOUS FOREST AB Soil respiration is an important component of the global carbon cycle and is highly responsive to changes in soil temperature and moisture. Accurate prediction of soil respiration and its changes under future climatic conditions requires a clear understanding of the processes involved. Most current empirical soil respiration models incorporate just few of the underlying mechanisms that may influence its response. In this study, a new partially process-based component model that separately treated several source components of soil respiration was tested with data from a climate change experiment that manipulated atmospheric [CO(2)], air temperature and soil moisture. Results from this model were compared to results from other widely used models with the parameters fitted using experimental data. Using the component model, we were able to estimate the relative proportions of heterotrophic and autotrophic respiration in total soil respiration for each of the different treatments. The value of the Q (10) parameters for temperature response component of all of the models showed sensitivity to soil moisture. Estimated Q (10) parameters were higher for wet treatments and lower for dry treatments compared to the values estimated using either the data from all treatments or from only the control treatments. Our results suggest that process-based models provide a better understanding of soil respiration dynamics under changing environmental conditions, but the extent and contribution of different source components need to be included in mechanistic and process-based soil respiration models at corresponding scales. C1 [Chen, Xiongwen] Alabama A&M Univ, Program Forestry Ecol & Wildlife, Normal, AL 35762 USA. [Post, Wilfred M.; Norby, Richard J.; Classen, Aimee T.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Classen, Aimee T.] Univ Tennessee, Dept Ecol & Evolutionary Biol, Knoxville, TN 37996 USA. RP Chen, XW (reprint author), Alabama A&M Univ, Program Forestry Ecol & Wildlife, POB 1927, Normal, AL 35762 USA. EM xiongwen.chen@aamu.edu RI Classen, Aimee/C-4035-2008; Post, Wilfred/B-8959-2012; Norby, Richard/C-1773-2012 OI Classen, Aimee/0000-0002-6741-3470; Norby, Richard/0000-0002-0238-9828 FU Oak Ridge National Laboratory/Oak Ridge Associated Universities Historically Black Colleges and Universities; Minority Education Institutions; U.S. Department of Energy, Office of Science, Biological and Environmental Research [DE-AC05-00OR22725]; Oak Ridge National Laboratory (ORNL); USDA; Department of Energy [DE-FC26-06NT43029-005] FX This research was supported in part by a research appointment to the Oak Ridge National Laboratory/Oak Ridge Associated Universities Historically Black Colleges and Universities and Minority Education Institutions Summer Faculty Research Program.; The OCCAM experiment was sponsored by the U.S. Department of Energy, Office of Science, Biological and Environmental Research under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory (ORNL), managed by UT-Battelle. This study was also partially supported by USDA (Evan-Allen and Mc-Stennis) and Department of Energy under cooperative agreement No. DE-FC26-06NT43029-005. Jake Weltzin was integral in establishing the OCCAM experiment and Katherine Sides, Joanne Childs, and Courtney Campany assisted with data collection. We thank Paul Kardol, George Byrd, and Lara Souza and anonymous reviewers for their helpful suggestions and comments on earlier drafts. NR 86 TC 14 Z9 16 U1 2 U2 43 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD AUG PY 2011 VL 107 IS 3-4 BP 459 EP 480 DI 10.1007/s10584-010-9942-2 PG 22 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 799LO UT WOS:000293288400013 ER PT J AU Zhang, CY Oostrom, M Wietsma, TW Grate, JW Warner, MG AF Zhang, Changyong Oostrom, Mart Wietsma, Thomas W. Grate, Jay W. Warner, Marvin G. TI Influence of Viscous and Capillary Forces on Immiscible Fluid Displacement: Pore-Scale Experimental Study in a Water-Wet Micromodel Demonstrating Viscous and Capillary Fingering SO ENERGY & FUELS LA English DT Article ID PHASE LIQUID DISSOLUTION; HETEROGENEOUS POROUS-MEDIA; 2-PHASE FLOW EXPERIMENTS; SOURCE ZONE ARCHITECTURE; AIR-WATER; INTERFACIAL-AREAS; OIL-RESERVOIRS; PERMEABILITY; NETWORKS; PRESSURE AB Unstable immiscible fluid displacement in porous media affects geological carbon sequestration, enhanced oil recovery, and groundwater contamination by non-aqueous phase liquids. Characterization of immiscible displacement processes at the pore scale is important to better understand macroscopic processes at the continuum scale. A series of displacement experiments was conducted to investigate the impacts of viscous and capillary forces on displacement stability and fluid saturation distributions in a homogeneous water-wet pore network micromodel with precisely microfabricated pore structures. Displacements were studied using seven wetting non-wetting fluid pairs with viscosity ratios M (viscosity of the advancing non-wetting fluid divided by the viscosity of the displaced wetting fluid) ranging 4 orders of magnitude from log M = 1.95 to 1.88. The micromodel was initially saturated with either polyethylene glycol 200 (PEG200) or water as the wetting fluid, which was then displaced by a non-wetting alkane fluid under different flow rates. Capillary numbers (Ca) ranged over 4 orders of magnitude for the reported experiments, from log Ca = 5.88 to -1.02. Fluorescent microscopy was used to visualize displacement and measure non-wetting fluid saturations and interfacial area. In the experiments initially saturated with PEG200, a viscous wetting fluid, unstable displacement occurred by viscous fingering over the whole range of imposed capillary numbers. For the experiments initially saturated with water, unstable displacement occurred by capillary fingering at low capillary numbers. When the viscous forces were increased by increasing the injection rate, crossover into stable displacement was observed for the fluid pairs with log M > 0. For unstable displacement experiments applying the same capillary number for the seven fluid pairs, non-wetting fluid saturations were higher when capillary fingering was the dominant fingering process compared to viscous fingering. These experiments extend the fundamental work by Lenormand et al. (Lenormand, R; Touboul, E.; Zarcone, C. Numerical models and experiments on immiscible displacements in porous media. J. Fluid Mech. 1988, 189, 165-187) using precision-fabricated water-wet micromodels and enhanced image analysis of the saturation distributions. Our saturation distributions are consistent with other published experimental work and confirm the numerical results obtained by Lenormand et al. C1 [Zhang, Changyong; Oostrom, Mart; Wietsma, Thomas W.; Grate, Jay W.; Warner, Marvin G.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zhang, CY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K8 96, Richland, WA 99352 USA. EM changyong.zhang@pnnl.gov RI Zhang, Changyong/A-8012-2013 FU Pacific Northwest National Laboratory (PNNL) FX This research is supported by the Pacific Northwest National Laboratory (PNNL) Directed Research and Development Program under PNNL's Carbon Sequestration Initiative. The experiments were conducted in the William R. Wiley Environmental Molecular Sciences Laboratory, a United States Department of Energy (DOE) scientific user facility operated for the DOE by PNNL. We thank Professor Charles J. Werth in the Department of Civil and Environmental Engineering, University of Illinois at Urbana-Champaign for his help with micromodel fabrication. NR 44 TC 66 Z9 68 U1 6 U2 59 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD AUG PY 2011 VL 25 IS 8 BP 3493 EP 3505 DI 10.1021/ef101732k PG 13 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 809SN UT WOS:000294077100015 ER PT J AU Gaston, KR Jarvis, MW Pepiot, P Smith, KM Frederick, WJ Nimlos, MR AF Gaston, Katherine R. Jarvis, Mark W. Pepiot, Perrine Smith, Kristin M. Frederick, William J., Jr. Nimlos, Mark R. TI Biomass Pyrolysis and Gasification of Varying Particle Sizes in a Fluidized-Bed Reactor SO ENERGY & FUELS LA English DT Article ID GAS-PHASE PYROLYSIS; STEAM GASIFICATION; WOOD PARTICLES; PILOT-SCALE; MOLECULAR CHARACTERIZATION; PRODUCT DISTRIBUTION; HEATING RATE; DEVOLATILIZATION; TAR; KINETICS AB A new 4 in. (102 mm) diameter fluidized-bed reactor has been built and used to study the effect of biomass particle size on the yield of light gas and tar compounds during gasification. Batch experiments were conducted with white oak milled into four sphere sizes with diameters of 6, 13, 18, and 25 mm, at reactor bed temperatures of 500, 600, 700, 800, and 900 degrees C. As expected, the yields of light gas increase with temperature but then reach a plateau above 800 degrees C. As the particle size increases, a decrease in the formation of light gases, accompanied by an increase in the formation of char, is observed. For larger particle sizes, the commonly used power law dependence of particle devolatilization time with sphere diameter holds true and the transition from heat- and mass-transport control to kinetic control as particle diameter decreases is illustrated. Measurements of the organic compounds present in the syngas are performed using a molecular beam mass spectrometer (MBMS). These measurements indicate that, as the size of the spheres increases, the formation of tars and polycyclic aromatic hydrocarbons (PAHs) increases. These observations further emphasize the important role of heat- and mass-transport restrictions for larger particles in the evolution of products during gasification and its potential implications on gasification process economics. C1 [Gaston, Katherine R.; Jarvis, Mark W.; Pepiot, Perrine; Smith, Kristin M.; Frederick, William J., Jr.; Nimlos, Mark R.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Gaston, KR (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. EM katherine.gaston@nrel.gov OI Gaston, Katherine/0000-0002-1162-0905 FU Office of the Biomass Program of the U.S. Department of Energy [DE-AC36-99GO10337] FX We acknowledge the financial support of the Office of the Biomass Program of the U.S. Department of Energy under Contract DE-AC36-99GO10337 with the National Renewable Energy Laboratory. We also gratefully acknowledge Calvin Feik and Steven Phillips for sharing their expertise in designing and building the new gasifier system, Raymond Hansen, Jason Thibodeaux, and Michael Sprague for assembly and testing of the reactor, Daniel Carpenter and Marc Pomeroy for MBMS and analytical support, and Ed Wolfrum for statistics expertise. NR 52 TC 29 Z9 31 U1 1 U2 46 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD AUG PY 2011 VL 25 IS 8 BP 3747 EP 3757 DI 10.1021/ef200257k PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 809SN UT WOS:000294077100045 ER PT J AU Pierce, F Perahia, D Grest, GS AF Pierce, F. Perahia, D. Grest, G. S. TI Dynamics of polymers across an interface SO EPL LA English DT Article ID MONTE-CARLO SIMULATIONS; MOLECULAR-DYNAMICS; CHAIN-LENGTH; INTERDIFFUSION; MELTS; ADHESION; SURFACE AB The migration of polymers across an interface as welding and self-healing of polymer layers takes place, is in the core of polymer-based devices. Using large-scale molecular-dynamics simulations the motion of polymer chains across an interface has been investigated. Unlike self-diffusion of polymers in melts where the early stages of diffusion are characterized by the reptation-like motion of chains in constraining tube formed by neighboring molecules, we find that interdiffusion across an interface is dominated by motion of the chain ends. Copyright (C) EPLA, 2011 C1 [Pierce, F.; Perahia, D.] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. [Pierce, F.; Grest, G. S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Pierce, F (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU DOE [ER46456]; United States Department of Energy [DE-AC0494AL85000] FX We thank the DOE for partial support of this work under contract No. ER46456. This work was made possible by generous allocations of computer time at the New Mexico Computing Application Center NMCAC and the Clemson Computing and Information Technology Center. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U. S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC0494AL85000. NR 29 TC 9 Z9 9 U1 6 U2 35 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 AUG PY 2011 VL 95 IS 4 AR 46001 DI 10.1209/0295-5075/95/46001 PG 5 WC Physics, Multidisciplinary SC Physics GA 806ZL UT WOS:000293857200017 ER PT J AU Frauenfelder, H AF Frauenfelder, Hans TI Protein dynamics explored by Mossbauer effect and neutron scattering SO EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS LA English DT Meeting Abstract CT 8th EBSA European Biophysics Congress CY AUG 23-27, 2011 CL Budapest, HUNGARY SP Hungarian Biophys Soc, European Biophys Soc Assoc C1 [Frauenfelder, Hans] Los Alamos Natl Lab, Los Alamos, NM USA. NR 1 TC 0 Z9 0 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7571 J9 EUR BIOPHYS J BIOPHY JI Eur. Biophys. J. Biophys. Lett. PD AUG PY 2011 VL 40 SU 1 BP 155 EP 156 PG 2 WC Biophysics SC Biophysics GA 804EO UT WOS:000293637300401 ER PT J AU Miloslavina, Y Lambrev, PH Javorfi, T Varkonyi, Z Karlicky, V Wall, JS Hind, G Garab, G AF Miloslavina, Yuliya Lambrev, Petar H. Javorfi, Tamas Varkonyi, Zsuzsanna Karlicky, Vaclav Wall, Joseph S. Hind, Geoffrey Garab, Gyozo TI Anisotropic circular dichroism signatures of oriented thylakoid membranes and lamellar aggregates of LHCII SO EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS LA English DT Meeting Abstract CT 8th EBSA European Biophysics Congress CY AUG 23-27, 2011 CL Budapest, HUNGARY SP Hungarian Biophys Soc, European Biophys Soc Assoc C1 [Miloslavina, Yuliya; Lambrev, Petar H.; Varkonyi, Zsuzsanna; Karlicky, Vaclav; Garab, Gyozo] Biol Res Ctr, Inst Plant Biol, H-6701 Szeged, Hungary. [Javorfi, Tamas] Diamond Light Source Ltd, Didcot, Oxon, England. [Wall, Joseph S.; Hind, Geoffrey] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RI Karlicky, Vaclav/F-2950-2014 NR 0 TC 1 Z9 1 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7571 J9 EUR BIOPHYS J BIOPHY JI Eur. Biophys. J. Biophys. Lett. PD AUG PY 2011 VL 40 SU 1 BP 178 EP 179 PG 2 WC Biophysics SC Biophysics GA 804EO UT WOS:000293637300479 ER PT J AU Tipmanee, V Breuer, M Zarzycki, P Alfonso-Prieto, M Rovira, C Rosso, KM Blumberger, J AF Tipmanee, V. Breuer, M. Zarzycki, P. Alfonso-Prieto, M. Rovira, C. Rosso, K. M. Blumberger, J. TI Computational Bioenergetics: From pure electron transfer in cytochromes to chemistry in catalases SO EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS LA English DT Meeting Abstract CT 8th EBSA European Biophysics Congress CY AUG 23-27, 2011 CL Budapest, HUNGARY SP Hungarian Biophys Soc, European Biophys Soc Assoc C1 [Tipmanee, V.; Breuer, M.; Blumberger, J.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Tipmanee, V.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. [Zarzycki, P.; Rosso, K. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Alfonso-Prieto, M.; Rovira, C.] Parc Cientif Barcelona, Comp Simulat & Modeling Lab, Barcelona 08028, Spain. RI Blumberger, Jochen/L-5949-2013; Alfonso-Prieto, Mercedes/M-3376-2014 OI Rovira, Carme/0000-0003-1477-5010; Alfonso-Prieto, Mercedes/0000-0003-4509-4517 NR 0 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7571 J9 EUR BIOPHYS J BIOPHY JI Eur. Biophys. J. Biophys. Lett. PD AUG PY 2011 VL 40 SU 1 BP 181 EP 181 PG 1 WC Biophysics SC Biophysics GA 804EO UT WOS:000293637300487 ER PT J AU Reimus, PW Duke, CL Roback, RC AF Reimus, Paul W. Duke, Catherine L. Roback, Robert C. TI Translation of field tracer-test results into bounding predictions of matrix diffusion in the shallow subsurface at Idaho National Laboratory, USA SO HYDROGEOLOGY JOURNAL LA English DT Article DE Matrix diffusion; Scale effects; Solute transport; Tracer tests; USA ID SOLUTE TRANSPORT MODEL; SNAKE RIVER PLAIN; CONCEPTUAL-MODEL; CRYSTALLINE ROCK; FISSURED ROCKS; VADOSE ZONE; FRACTURE; FLOW; DISPERSION; AQUIFER AB Matrix-diffusion parameters deduced from an infiltration tracer test at Idaho National Laboratory (INL), USA, are combined with other site information in an analysis involving two dimensionless lumped parameters to assess the effects of matrix diffusion on contaminant transport at the INL over longer distance and time scales than were evaluated in the test. Matrix diffusion was interrogated in the test by comparing, in three different observation wells, the breakthrough curves of two simultaneously injected nonsorbing solutes that have different diffusion coefficients. The matrix-diffusion parameters deduced from the different breakthrough curves were in good agreement, suggesting that the parameters may be broadly applicable at the INL. With this in mind, the uncertainties in the individual parameters that make up the two lumped parameters were estimated, and the resulting ranges of parameter values were used to assess matrix diffusion over larger scales. Assessments of the effects of flow transients, spatial heterogeneity in transport parameters, and sorption on solute transport in the shallow subsurface flow system were also conducted. The methods presented here should be generally applicable to other settings for making bounding assessments of the effects of matrix diffusion while honoring the information obtained from tracer tests and other supporting data. C1 [Reimus, Paul W.; Roback, Robert C.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Duke, Catherine L.] Montgomery & Associates, Tucson, AZ 85719 USA. RP Reimus, PW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM preimus@lanl.gov OI Roback, Robert/0000-0003-2748-1580 FU Office of Science, US Department of Energy FX This work was supported by the Environmental Management Science Program of the Office of Science, US Department of Energy. The authors would like to thank T. McLing, K. Baker, L. Hull, and L. Street and her crew from the INL for great operational support in conducting the field tracer test. NR 33 TC 1 Z9 1 U1 1 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1431-2174 J9 HYDROGEOL J JI Hydrogeol. J. PD AUG PY 2011 VL 19 IS 5 BP 1021 EP 1037 DI 10.1007/s10040-010-0685-y PG 17 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 801XO UT WOS:000293474100007 ER PT J AU Hunter, MT Kourtellis, AG Ziomek, CD Mikhael, WB AF Hunter, Matthew T. Kourtellis, Achilleas G. Ziomek, Christopher D. Mikhael, Wasfy B. TI Fundamentals of Modern Spectral Analysis SO IEEE INSTRUMENTATION & MEASUREMENT MAGAZINE LA English DT Article C1 [Hunter, Matthew T.] Univ Cent Florida, Grad Res Team, Orlando, FL 32816 USA. [Ziomek, Christopher D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ziomek, Christopher D.] Stanford Linear Accelerator Ctr, Stanford, CA USA. [Ziomek, Christopher D.] Univ Cent Florida, Sch Elect Engn & Comp Sci, Orlando, FL 32816 USA. EM mhunter@ztec-inc.com NR 17 TC 2 Z9 2 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1094-6969 J9 IEEE INSTRU MEAS MAG JI IEEE Instrum. Meas. Mag. PD AUG PY 2011 VL 14 IS 4 BP 12 EP 16 PG 5 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 805PK UT WOS:000293741200005 ER PT J AU Richter, M Aamodt, K Alt, T Appelshauser, H Arend, A Becker, B Bottger, S Breitner, T Busching, H Cicalo, C Chattopadhyay, S Cleymans, J Das, I Djuvsland, O Erdal, H Fearick, R Gorbunov, S Haaland, OS Hille, PT Kalcher, S Kanaki, K Kebschull, U Kisel, I Kretz, M Lara, C Lindal, S Lindenstruth, V Masoodi, AA Ovrebekk, G Panse, R Peschek, J Ploskon, M Pocheptsov, T Rascanu, T Ronchetti, F Rohr, D Rohrich, D Skaali, B Steinbeck, T Szostak, A Thader, J Tveter, TS Ullaland, K Vilakazi, Z Weis, R Zelnicek, P AF Richter, M. Aamodt, K. Alt, T. Appelshaeuser, H. Arend, A. Becker, B. Boettger, S. Breitner, T. Buesching, H. Cicalo, C. Chattopadhyay, S. Cleymans, J. Das, I. Djuvsland, O. Erdal, H. Fearick, R. Gorbunov, S. Haaland, O. S. Hille, P. T. Kalcher, S. Kanaki, K. Kebschull, U. Kisel, I. Kretz, M. Lara, C. Lindal, S. Lindenstruth, V. Masoodi, A. A. Ovrebekk, G. Panse, R. Peschek, J. Ploskon, M. Pocheptsov, T. Rascanu, T. Ronchetti, F. Rohr, D. Roehrich, D. Skaali, B. Steinbeck, T. Szostak, A. Thaeder, J. Tveter, T. S. Ullaland, K. Vilakazi, Z. Weis, R. Zelnicek, P. CA ALICE Collaboration TI Event Reconstruction Performance of the ALICE High Level Trigger p plus p for Collisions SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Data processing; distributed computing; heavy ion detectors; high energy physics computing; tracking; trigger systems AB The ALICE High Level Trigger comprises a large computing cluster, dedicated interfaces and software applications. It allows on-line event reconstruction of the full data stream of the ALICE experiment at up to 25 GByte/s. The commissioning campaign has passed an important phase since the startup of the Large Hadron Collider in November 2009. The system has been transferred into continuous operation with focus on the event reconstruction and first simple trigger applications. The paper reports for the first time on the achieved event reconstruction performance in the ALICE central barrel region. C1 [Richter, M.; Djuvsland, O.; Erdal, H.; Haaland, O. S.; Kanaki, K.; Ovrebekk, G.; Roehrich, D.; Szostak, A.; Ullaland, K.] Univ Bergen, Dept Phys & Technol, N-5020 Bergen, Norway. [Alt, T.; Gorbunov, S.; Kalcher, S.; Lindenstruth, V.; Steinbeck, T.; Thaeder, J.] Frankfurt Inst Adv Studies, Frankfurt Inst Informat IfI, Frankfurt, Germany. [Boettger, S.; Breitner, T.; Kebschull, U.; Kretz, M.; Lara, C.; Panse, R.; Peschek, J.; Rohr, D.; Weis, R.; Zelnicek, P.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Aamodt, K.; Lindal, S.; Pocheptsov, T.; Skaali, B.; Tveter, T. S.] Univ Oslo, Dept Phys, Oslo, Norway. [Appelshaeuser, H.; Arend, A.; Buesching, H.; Rascanu, T.] Goethe Univ Frankfurt, Inst Kernphys, D-6000 Frankfurt, Germany. [Becker, B.; Vilakazi, Z.] Univ Cape Town, IThemba LABS, ZA-7925 Cape Town, South Africa. [Chattopadhyay, S.; Das, I.] Saha Inst Nucl Phys, Div High Energy Phys, Kolkata, India. [Cleymans, J.; Fearick, R.] Univ Cape Town, Dept Phys, ZA-7925 Cape Town, South Africa. [Cicalo, C.] Ist Nazl Fis Nucl, Sez Cagliari, Monserrato, Italy. [Ronchetti, F.] Ist Nazl Fis Nucl, Sez Frascati, Monserrato, Italy. [Ploskon, M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys, Berkeley, CA 94720 USA. [Masoodi, A. A.] Aligarh Muslim Univ, Dept Phys, Aligarh 202002, Uttar Pradesh, India. [Hille, P. T.] Yale Univ, Dept Phys, New Haven, CT 06511 USA. [Kisel, I.] Schwerionenforschung GmbH, GSI Helmholtzzentrum, Darmstadt, Germany. RP Richter, M (reprint author), Univ Bergen, Dept Phys & Technol, N-5020 Bergen, Norway. EM Matthias.Richter@ift.uib.no RI Barbera, Roberto/G-5805-2012 OI Barbera, Roberto/0000-0001-5971-6415 NR 11 TC 1 Z9 1 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 AUG PY 2011 VL 58 IS 4 BP 1706 EP 1713 DI 10.1109/TNS.2011.2160093 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 808KD UT WOS:000293975700044 ER PT J AU Gorbunov, S Rohr, D Aamodt, K Alt, T Appelshauser, H Arend, A Bach, M Becker, B Bottger, S Breitner, T Busching, H Chattopadhyay, S Cleymans, J Cicalo, C Das, I Djuvsland, O Engel, H Erdal, HA Fearick, R Haaland, OS Hille, PT Kalcher, S Kanaki, K Kebschull, UW Kisel, I Kretz, M Lara, C Lindal, S Lindenstruth, V Masoodi, AA Ovrebekk, G Panse, R Peschek, J Ploskon, M Pocheptsov, T Ram, D Rascanu, T Richter, M Rohrich, D Ronchetti, F Skaali, B Smorholm, O Stokkevag, C Steinbeck, TM Szostak, A Thader, J Tveter, T Ullaland, K Vilakazi, Z Weis, R Yin, ZB Zelnicek, P AF Gorbunov, Sergey Rohr, David Aamodt, Kenneth Alt, Torsten Appelshaeuser, Harald Arend, Andreas Bach, Matthias Becker, Bruce Boettger, Stefan Breitner, Timo Buesching, Henner Chattopadhyay, Sukalyan Cleymans, Jean Cicalo, Corrado Das, Indranil Djuvsland, Oystein Engel, Heikofname Erdal, Hege Austrheim Fearick, Roger Haaland, Oystein Senneset Hille, Per Thomas Kalcher, Sebastian Kanaki, Kalliopi Kebschull, Udo Wolfgang Kisel, Ivan Kretz, Matthias Lara, Camilo Lindal, Svein Lindenstruth, Volker Masoodi, Arshad Ahmad Ovrebekk, Gaute Panse, Ralf Peschek, Joerg Ploskon, Mateusz Pocheptsov, Timur Ram, Dinesh Rascanu, Theodor Richter, Matthias Roehrich, Dieter Ronchetti, Federico Skaali, Bernhard Smorholm, Olav Stokkevag, Camilla Steinbeck, Timm Morten Szostak, Artur Thaeder, Jochen Tveter, Trine Ullaland, Kjetil Vilakazi, Zeblon Weis, Robert Yin, Zhongbao Zelnicek, Pierre CA Alice Collaboration TI ALICE HLT High Speed Tracking on GPU SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Data processing; high energy physics instrumentation computing; parallel algorithms; reconstruction algorithms AB The on-line event reconstruction in ALICE is performed by the High Level Trigger, which should process up to 2000 events per second in proton-proton collisions and up to 300 central events per second in heavy-ion collisions, corresponding to an input data stream of 30 GB/s. In order to fulfill the time requirements, a fast on-line tracker has been developed. The algorithm combines a Cellular Automaton method being used for a fast pattern recognition and the Kalman Filter method for fitting of found trajectories and for the final track selection. The tracker was adapted to run on Graphics Processing Units (GPU) using the NVIDIA Compute Unified Device Architecture (CUDA) framework. The implementation of the algorithm had to be adjusted at many points to allow for an efficient usage of the graphics cards. In particular, achieving a good overall workload for many processor cores, efficient transfer to and from the GPU, as well as optimized utilization of the different memories the GPU offers turned out to be critical. To cope with these problems a dynamic scheduler was introduced, which redistributes the workload among the processor cores. Additionally a pipeline was implemented so that the tracking on the GPU, the initialization and the output processed by the CPU, as well as the DMA transfer can overlap. The GPU tracking algorithm significantly outperforms the CPU version for large events while it entirely maintains its efficiency. C1 [Gorbunov, Sergey; Alt, Torsten; Bach, Matthias; Kalcher, Sebastian; Kretz, Matthias; Ram, Dinesh; Smorholm, Olav; Steinbeck, Timm Morten] Frankfurt Inst Adv Studies FIAS, Frankfurt Inst Informat IfI, D-60438 Frankfurt, Germany. [Rohr, David; Boettger, Stefan; Breitner, Timo; Engel, Heikofname; Kebschull, Udo Wolfgang; Lara, Camilo; Panse, Ralf; Peschek, Joerg; Weis, Robert; Zelnicek, Pierre] Heidelberg Univ, Kirchhoff Inst Phys, D-69117 Heidelberg, Germany. [Aamodt, Kenneth; Lindal, Svein; Pocheptsov, Timur; Richter, Matthias; Skaali, Bernhard; Tveter, Trine] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Djuvsland, Oystein; Erdal, Hege Austrheim; Kanaki, Kalliopi; Ovrebekk, Gaute; Ram, Dinesh; Stokkevag, Camilla; Szostak, Artur; Ullaland, Kjetil] Univ Bergen, Dept Phys & Technol, N-5007 Bergen, Norway. [Appelshaeuser, Harald; Arend, Andreas; Buesching, Henner; Rascanu, Theodor] Goethe Univ Frankfurt, Inst Kernphys, D-60438 Frankfurt, Germany. [Becker, Bruce; Cicalo, Corrado] Ist Nazl Fis Nucl, Sez Cagliari, IT-09042 Monserrato, Italy. [Vilakazi, Zeblon] Univ Cape Town, IThemba LABS, ZA-7129 Somerset W, South Africa. [Chattopadhyay, Sukalyan; Das, Indranil] Saha Inst Nucl Phys, Div High Energy Phys, Kolkata 700064, India. [Cleymans, Jean; Fearick, Roger] Univ Cape Town, Dept Phys, ZA-7701 Rondebosch, South Africa. [Ploskon, Mateusz] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys, Berkeley, CA 94720 USA. [Masoodi, Arshad Ahmad] Aligarh Muslim Univ, Dept Phys, Aligarh 202001, Uttar Pradesh, India. [Hille, Per Thomas] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Kisel, Ivan; Thaeder, Jochen] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Ronchetti, Federico] Ist Nazl Fis Nucl, I-00044 Frascati, Italy. [Yin, Zhongbao] Hua Zhong Normal Univ, Inst Particle Phys, CN-430079 Wuhan Hupei, Peoples R China. RP Gorbunov, S (reprint author), Frankfurt Inst Adv Studies FIAS, Frankfurt Inst Informat IfI, D-60438 Frankfurt, Germany. EM sergey.gorbunov@fias.uni-frankfurt.de; drohr@kip.uni-heidelberg.de; kenneth.aamodt@cern.ch; torsten.alt@cern.ch; harald.appelshauser@cern.ch; andreas.arend@cern.ch; bach@compeng.uni-frankfurt.de; bruce.becker@cern.ch; boettger@kip.uni-heidelberg.de; tbreitne@kip.uni-heidelberg.de; henner.buesching@cern.ch; sukalyan.chat-topadhyay@cern.ch; jean.cleymans@gmail.com; corrado.cicalo@ca.infn.it; indra.das@saha.ac.in; oysteind@ift.uib.no; heiko.engel@kip.uni-heidelberg.de; hege.erdal@ift.uib.no; roger.fearick@uct.ac.za; ohaaland@mail.cern.ch; per.thomas.hille@cern.ch; kalcher@kip.uni-heidelberg.de; kalliopi.kanaki@ift.uib.no; udo.wolf-gang.kebschull@cern.ch; ivan.kisel@cern.ch; matthias.kretz@kip.uni-heidelberg.de; lara@kip.uni-heidelberg.de; svein.lindal@cern.ch; voli@compeng.de; arshad.ahmad@cern.ch; gaute.ovrebekk@ift.uib.no; ralf.panse@web.de; jpeschek@kip.uni-heidelberg.de; mploskon@lbl.gov; timur.pocheptsov@cern.ch; dinesh.ram@cern.ch; trascanu@stud.uni-frankfurt.de; richter@ift.uib.no; dieter.rohrich@ift.uib.no; federico.ronchetti@gmail.com; t.b.skaali@fys.uio.no; olav.smorholm@cern.ch; camilla.stokkevag@student.uib.no; timm.morten.steinbeck@cern.ch; artursz@iafrica.com; jochen@thaeder.de; trine.tueter@cern.ch; kjetil.ulla-land@ift.uib.no; zzv@tlabs.ac.za; weis@kip.uni-heidelberg.de; zhong-bao.yin@cern.ch; pierre.zel-nicek@cern.ch RI Barbera, Roberto/G-5805-2012; Becker, Bruce/I-5632-2013 OI Barbera, Roberto/0000-0001-5971-6415; Becker, Bruce/0000-0002-6607-7145 NR 8 TC 11 Z9 11 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 AUG PY 2011 VL 58 IS 4 BP 1845 EP 1851 DI 10.1109/TNS.2011.2157702 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 808KD UT WOS:000293975700066 ER PT J AU Brancaccio, R Bettuzzi, M Casali, F Morigi, MP Levi, G Gallo, A Marchetti, G Schneberk, D AF Brancaccio, R. Bettuzzi, M. Casali, F. Morigi, M. P. Levi, G. Gallo, A. Marchetti, G. Schneberk, D. TI Real-Time Reconstruction for 3-D CT Applied to Large Objects of Cultural Heritage SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Computed tomography imaging; computed tomography reconstruction; image reconstruction; parallel processing; X-ray tomography; X-ray reconstruction AB In this paper, we describe the work done in order to run the CT 3-D reconstruction algorithm on the 120 GB raw data from the more than 25 000 radiographs acquired from the Kongo Rikishi (XIII century) Japanese wooden statue. The work was done using the Microsoft (Redmond) HPC cluster and then on a local cluster at the INFN of Bologna. A speed-up factor of 75 was reached. C1 [Brancaccio, R.; Bettuzzi, M.; Casali, F.; Morigi, M. P.; Levi, G.; Gallo, A.] Univ Bologna, Dept Phys, I-40127 Bologna, Italy. [Brancaccio, R.; Bettuzzi, M.; Casali, F.; Morigi, M. P.; Levi, G.; Gallo, A.] Ist Nazl Fis Nucl, Sect Bologna, I-40127 Bologna, Italy. [Marchetti, G.] Microsoft Corp, Redmond, WA 98052 USA. [Schneberk, D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Brancaccio, R (reprint author), Univ Bologna, Dept Phys, I-40127 Bologna, Italy. EM rossella_brancaccio@yahoo.it; gio-vanni.marchetti@microsoft.com; dschneberk@yahoo.com OI Morigi, Maria Pia/0000-0001-5697-2325; Bettuzzi, Matteo/0000-0003-3464-6574; Brancaccio, Rosa/0000-0002-6240-5586 FU INFN (National Institute of Nuclear Physics) section of Bologna; Microsoft FX Manuscript received June 10, 2010; revised May 19, 2011; accepted May 29, 2011. Date of publication July 12, 2011; date of current version August 17, 2011. This work was supported by the INFN (National Institute of Nuclear Physics) section of Bologna and by Microsoft. NR 11 TC 4 Z9 4 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2011 VL 58 IS 4 BP 1864 EP 1871 DI 10.1109/TNS.2011.2158850 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 808KD UT WOS:000293975700069 ER PT J AU Bolotnikov, AE Babalola, S Camarda, GS Cui, Y Gul, R Egarievwe, SU Fochuk, PM Fuerstnau, M Horace, J Hossain, A Jones, F Kim, KH Kopach, OV McCall, B Marchini, L Raghothamachar, B Taggart, R Yang, G Xu, L James, RB AF Bolotnikov, A. E. Babalola, S. Camarda, G. S. Cui, Y. Gul, R. Egarievwe, S. U. Fochuk, P. M. Fuerstnau, M. Horace, J. Hossain, A. Jones, F. Kim, K. H. Kopach, O. V. McCall, B. Marchini, L. Raghothamachar, B. Taggart, R. Yang, G. Xu, L. James, R. B. TI Correlations Between Crystal Defects and Performance of CdZnTe Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; crystal defects; radiation detectors ID SEMICONDUCTOR COMPOUND-CRYSTALS; RADIATION DETECTORS; TE INCLUSIONS; GROWTH AB Poor crystallinity remains a major problem affecting the availability and cost of CdZnTe 9CZT) detectors. Point defects are responsible for small gradual charge loss and correlated with the electron clouds' drift times, which allows electronic correction of the output signals to achieve high spectral-resolution even with large-volume CZT detectors. In contrast, extended defects causes significant charge losses, which typically are uncorrelated, and, thus, result in much greater fluctuations of the output signals that cannot be corrected. Although extended defects do not affect all the interaction events, their fraction rapidly increases with the crystal's thickness and volume. In this paper, we summarize our recent results from testing CZT material and detectors that emphasize the particular roles of two types of extended defects, and their contributions to the device's overall performance. C1 [Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Gul, R.; Fuerstnau, M.; Hossain, A.; Jones, F.; Taggart, R.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11793 USA. [Babalola, S.; Egarievwe, S. U.; Horace, J.; McCall, B.] Alabama A&M Univ, Huntsville, AL 35762 USA. [Fochuk, P. M.; Kopach, O. V.] Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine. [Marchini, L.] IMEM CNR, I-43124 Parma, Italy. [Raghothamachar, B.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Xu, L.] NW Polytech Univ, Xian 710072, Shaanxi, Peoples R China. RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11793 USA. EM bolotnik@bnl.gov RI Yang, Ge/G-1354-2011; Fochuk, Petro/D-9409-2016; Kopach, Oleh/C-3993-2017 OI Fochuk, Petro/0000-0002-4149-4882; Kopach, Oleh/0000-0002-1513-5261 FU U.S. Department of Energy, Office of Nonproliferation Research and Development [NA-22]; Defense Threat Reduction Agency; Brookhaven Science Associates, LLC [DE-AC02-98CH1-886]; U.S. Department of Energy FX Manuscript received December 21, 2010; revised March 14, 2011; accepted April 25, 2011. Date of publication July 22, 2011; date of current version August 17, 2011. This work was supported in part by the U.S. Department of Energy, Office of Nonproliferation Research and Development, NA-22 and Defense Threat Reduction Agency. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH1-886 with the U.S. Department of Energy. NR 22 TC 22 Z9 23 U1 2 U2 27 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD AUG PY 2011 VL 58 IS 4 BP 1972 EP 1980 DI 10.1109/TNS.2011.2160283 PN 2 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 808KS UT WOS:000293977200013 ER PT J AU Dongarra, J Tourancheau, B AF Dongarra, Jack Tourancheau, Bernard TI Selected papers of the Workshop on Clusters, Clouds and Grids for Scientific Computing (CCGSC) SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Editorial Material C1 [Dongarra, Jack] Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. [Dongarra, Jack] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Tourancheau, Bernard] Univ Lyon, INRIA, Lyon, France. [Tourancheau, Bernard] CITI INSA Lyon, Lyon, France. RP Dongarra, J (reprint author), Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. RI Dongarra, Jack/E-3987-2014 NR 0 TC 0 Z9 0 U1 0 U2 2 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD AUG PY 2011 VL 25 IS 3 SI SI BP 259 EP 260 DI 10.1177/1094342011414550 PG 2 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 803IB UT WOS:000293573900001 ER PT J AU Callaghan, S Maechling, P Small, P Milner, K Juve, G Jordan, TH Deelman, E Mehta, G Vahi, K Gunter, D Beattie, K Brooks, C AF Callaghan, Scott Maechling, Philip Small, Patrick Milner, Kevin Juve, Gideon Jordan, Thomas H. Deelman, Ewa Mehta, Gaurang Vahi, Karan Gunter, Dan Beattie, Keith Brooks, Christopher TI Metrics for heterogeneous scientific workflows: A case study of an earthquake science application SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article; Proceedings Paper CT Workshop on Clusters, Clouds and Grids for Scientific Computing (CCGSC) CY SEP 08-10, 2010 CL Flat Rock, NC SP NSF, Myricom Inc, HP, Microsoft Inc, Google Inc, ICL, AMD DE large-scale simulations; performance metrics; scientific workflows AB Scientific workflows are a common computational model for performing scientific simulations. They may include many jobs, many scientific codes, and many file dependencies. Since scientific workflow applications may include both high-performance computing (HPC) and high-throughput computing (HTC) jobs, meaningful performance metrics are difficult to define, as neither traditional HPC metrics nor HTC metrics fully capture the extent of the application. We describe and propose the use of alternative metrics to accurately capture the scale of scientific workflows and quantify their efficiency. In this paper, we present several specific practical scientific workflow performance metrics and discuss these metrics in the context of a large-scale scientific workflow application, the Southern California Earthquake Center CyberShake 1.0 Map calculation. Our metrics reflect both computational performance, such as floating-point operations and file access, and workflow performance, such as job and task scheduling and execution. We break down performance into three levels of granularity: the task, the workflow, and the application levels, presenting a complete view of application performance. We show how our proposed metrics can be used to compare multiple invocations of the same application, as well as executions of heterogeneous applications, quantifying the amount of work performed and the efficiency of the work. Finally, we analyze CyberShake using our proposed metrics to determine potential application optimizations. C1 [Callaghan, Scott; Maechling, Philip; Small, Patrick; Milner, Kevin; Juve, Gideon; Jordan, Thomas H.] Univ So Calif, Los Angeles, CA 90089 USA. [Deelman, Ewa; Mehta, Gaurang; Vahi, Karan] USC Informat Sci Inst, Los Angeles, CA USA. [Gunter, Dan] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA USA. [Brooks, Christopher] Univ San Francisco, San Francisco, CA 94117 USA. RP Callaghan, S (reprint author), Univ So Calif, 3651 Trousdale Pkwy, Los Angeles, CA 90089 USA. EM scottcal@usc.edu NR 15 TC 8 Z9 8 U1 0 U2 2 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD AUG PY 2011 VL 25 IS 3 SI SI BP 274 EP 285 DI 10.1177/1094342011414743 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 803IB UT WOS:000293573900003 ER PT J AU Tiwari, A Hollingsworth, JK Chen, C Hall, M Liao, CH Quinlan, DJ Chame, J AF Tiwari, Ananta Hollingsworth, Jeffrey K. Chen, Chun Hall, Mary Liao, Chunhua Quinlan, Daniel J. Chame, Jacqueline TI Auto-tuning full applications: A case study SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article; Proceedings Paper CT Workshop on Clusters, Clouds and Grids for Scientific Computing (CCGSC) CY SEP 08-10, 2010 CL Flat Rock, NC SP NSF, Myricom Inc, HP, Microsoft Inc, Google Inc, ICL, AMD DE Active Harmony; CHiLL; offline auto-tuning; PERI; ROSE ID PROGRAMS; SYSTEM AB In this paper, we take a concrete step towards materializing our long-term goal of providing a fully automatic end-to-end tuning infrastructure for arbitrary program components and full applications. We describe a general-purpose offline auto-tuning framework and apply it to an application benchmark, SMG2000, a semi-coarsening multigrid on structured grids. We show that the proposed system first extracts computationally intensive loop nests into separate executable functions, a code transformation called outlining. The outlined loop nests are then tuned by the framework and subsequently integrated back into the application. Each loop nest is optimized through a series of composable code transformations, with the transformations parameterized by unbound optimization parameters that are bound during the tuning process. The values for these parameters are selected using a search-based auto-tuner, which performs a parallel heuristic search for the best-performing optimized variants of the outlined loop nests. We show that our system pinpoints a code variant that performs 2.37 times faster than the original loop nest. When the full application is run using the code variant found by the system, the application's performance improves by 27%. C1 [Tiwari, Ananta; Hollingsworth, Jeffrey K.] Univ Maryland, Dept Comp Sci, College Pk, MD 20742 USA. [Chen, Chun; Hall, Mary] Univ Utah, Sch Comp, Salt Lake City, UT USA. [Liao, Chunhua; Quinlan, Daniel J.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA USA. [Chame, Jacqueline] Univ So Calif, Inst Informat Sci, Marina Del Rey, CA 90292 USA. RP Tiwari, A (reprint author), Univ Maryland, Dept Comp Sci, AV Williams Bldg 4140, College Pk, MD 20742 USA. EM tiwari@cs.umd.edu NR 30 TC 10 Z9 10 U1 0 U2 1 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD AUG PY 2011 VL 25 IS 3 SI SI BP 286 EP 294 DI 10.1177/1094342011414744 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 803IB UT WOS:000293573900004 ER PT J AU Agarwal, D Cheah, YW Fay, D Fay, J Guo, D Hey, T Humphrey, M Jackson, K Li, J Poulain, C Ryu, Y van Ingen, C AF Agarwal, Deb Cheah, You-Wei Fay, Dan Fay, Jonathan Guo, Dean Hey, Tony Humphrey, Marty Jackson, Keith Li, Jie Poulain, Christophe Ryu, Youngryel van Ingen, Catharine TI Data-intensive science: The Terapixel and MODISAzure projects SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article; Proceedings Paper CT Workshop on Clusters, Clouds and Grids for Scientific Computing (CCGSC) CY SEP 08-10, 2010 CL Flat Rock, NC SP NSF, Myricom Inc, HP, Microsoft Inc, Google Inc, ICL, AMD DE cloud computing; data-intensive science; massive datasets; MODISAzure; Terapixel AB We live in an era in which scientific discovery is increasingly driven by data exploration of massive datasets. Scientists today are envisioning diverse data analyses and computations that scale from the desktop to supercomputers, yet often have difficulty designing and constructing software architectures to accommodate the heterogeneous and often inconsistent data at scale. Moreover, scientific data and computational resource needs can vary widely over time. The needs grow as the science collaboration broadens or as additional data is accumulated; the computational demand can have large transients in response to seasonal field campaigns or new instrumentation breakthroughs. Cloud computing can offer a scalable, economic, on-demand model that is well matched to some of these evolving science needs. This paper presents two of our experiences over the last year - the Terapixel Project, using workflow, high-performance computing and non-structured query language data processing to render the largest astronomical image for the WorldWide Telescope, and MODISAzure, a science pipeline for image processing, deployed using the Azure Cloud infrastructure. C1 [Fay, Dan; van Ingen, Catharine] Microsoft Res, eScience Grp, Redmond, WA 98052 USA. [Agarwal, Deb] Lawrence Berkeley Natl Lab, Adv Comp Sci Dept, Head & Data Intens Syst Grp Lead, Berkeley, CA USA. [Cheah, You-Wei] Indiana Univ, Sch Informat & Comp, Bloomington, IN 47405 USA. [Humphrey, Marty; Li, Jie] Univ Virginia, Dept Comp Sci, Charlottesville, VA 22903 USA. [Ryu, Youngryel] Harvard Univ, Dept Organism & Evolutionary Biol, Cambridge, MA 02138 USA. RP Hey, T (reprint author), Microsoft Res, eScience Grp, 1 Microsoft Way, Redmond, WA 98052 USA. EM tonyhey@microsoft.com RI Ryu, Youngryel/C-3072-2008; zong, fico/H-4677-2011 OI Ryu, Youngryel/0000-0001-6238-2479; NR 13 TC 3 Z9 3 U1 0 U2 3 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD AUG PY 2011 VL 25 IS 3 SI SI BP 304 EP 316 DI 10.1177/1094342011414746 PG 13 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 803IB UT WOS:000293573900006 ER PT J AU Gasparov, VA Drigo, L Audouard, A Sun, DL Lin, CT Bud'ko, SL Canfield, PC Fabris, FW Wosnitza, J AF Gasparov, V. A. Drigo, L. Audouard, A. Sun, D. L. Lin, C. T. Bud'ko, S. L. Canfield, P. C. Fabris, F. Wolff Wosnitza, J. TI Upper critical magnetic field in Ba0.68K0.32Fe2As2 and Ba(Fe0.93Co0.07)(2)As-2 SO JETP LETTERS LA English DT Article ID SUPERCONDUCTORS AB We report measurements of the temperature dependence of the radio frequency magnetic penetration depth in Ba0.68K0.32Fe2As2 and Ba(Fe0.93Co0.07)(2)As-2 single crystals in pulsed magnetic fields up to 60 T. From our data, we construct an H-T-phase diagram for the inter-plane (H aEuro- c) and in-plane (H aEuro- ab) directions for both compounds. For both field orientations in Ba0.68K0.32Fe2As2 we find a concave curvature of the H (c2)(T) lines with decreasing anisotropy and saturation towards lower temperature. Taking into account Pauli spin paramagnetism we can describe H (c2)(T) and its anisotropy. In contrast, we find that Pauli paramagnetic pair breaking is not essential for Ba(Fe0.93Co0.07)(2)As-2. For this electron-doped compound, the data support a H (c2)(T) dependence that can be described by the Werthamer-Helfand-Hohenberg model for H aEuro- ab and a two-gap behavior for H aEuro- c. C1 [Gasparov, V. A.] Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Moscow Region, Russia. [Drigo, L.; Audouard, A.] UPS, UJF, INSA, CNRS,Lab Natl Champs Magnet Intenses,UPR 3228, Toulouse, France. [Sun, D. L.; Lin, C. T.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. [Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Fabris, F. Wolff; Wosnitza, J.] Helmholtz Zentrum Dresden Rossendorf, Hochfeld Magnetlabor Dresden HLD, D-01314 Dresden, Germany. RP Gasparov, VA (reprint author), Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Moscow Region, Russia. EM vgasparo@issp.ac.ru RI Canfield, Paul/H-2698-2014 FU EU [228043, FP7 I3]; German Science Foundation [SPP 1458]; RAS [B.7]; Russian State Program of support of leading scientific schools [1160.2008.2]; Division of Materials Sciences and Engineering, office of Basic Energy Sciences, U.S. Department of Energy; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358] FX We are grateful to V.F. Gantmakher and R. Huguenin for helpful discussions and G. Ballon for help during experiments. This work was supported in part by Euro-MagNET II (EU contract nos. 228043 and FP7 I3), the German Science Foundation (grant no. SPP 1458), and RAS Program: New Materials and Structures (Grant B.7) and the Russian State Program of support of leading scientific schools (no. 1160.2008.2). The work of P.C.C. and S.L.B. was supported by the Division of Materials Sciences and Engineering, office of Basic Energy Sciences, U.S. Department of Energy. The research was performed at the Ames Laboratory, which is operated for the U.S. Department of Energy by Iowa State University under Contract no. DE-AC02-07CH11358. NR 26 TC 15 Z9 15 U1 0 U2 15 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0021-3640 J9 JETP LETT+ JI Jetp Lett. PD AUG PY 2011 VL 93 IS 11 BP 667 EP 672 DI 10.1134/S0021364011110038 PG 6 WC Physics, Multidisciplinary SC Physics GA 801YS UT WOS:000293477100010 ER PT J AU Mishra, SK Taylor, MA Nair, RD Lauritzen, PH Tufo, HM Tribbia, JJ AF Mishra, Saroj K. Taylor, Mark A. Nair, Ramachandran D. Lauritzen, Peter H. Tufo, Henry M. Tribbia, Joseph J. TI Evaluation of the HOMME Dynamical Core in the Aquaplanet Configuration of NCAR CAM4: Rainfall SO JOURNAL OF CLIMATE LA English DT Article ID MOMENTUM TRANSPORT; TIME-STEP; MODEL; CONVECTION; SIMULATIONS; CIRCULATION; SCHEMES; IMPACT AB The NCAR Community Climate System Model, version 4 (CCSM4), includes a new dynamical core option based on NCAR's High-OrderMethod Modeling Environment (HOMME). HOMME is a petascale-capable high-order element-based conservative dynamical core developed on the cubed-sphere grid. Initial simulations have been completed in an aquaplanet configuration of the Community Atmosphere Model, version 4 (CAM4), the atmospheric component of CCSM4. The authors examined the results of this simulation and assessed its fidelity in simulating rainfall, which is one of the most important components of the earth's climate system. For this they compared the results from two other dynamical cores of CAM4: the finite volume (FV) and Eulerian (EUL). Instantaneous features of rainfall in HOMME are similar to FV and EUL. Similar to EUL and FV, HOMME simulates a single-peak intertropical convergence zone (ITCZ) over the equator. The strength of the ITCZ is found to be almost the same in HOMME and EUL but more in FV. It is observed that in HOMME and EUL, there is higher surface evaporation, which supplies more moisture to the deep tropics and gives more rainfall over the ITCZ. The altitude of maximum precipitation is found to be at almost the same level in all three dynamical cores. The eastward propagation of rainfall bands is organized and more prominent in FV and HOMME than in EUL. The phase speed of the eastward propagation in HOMME is found to be higher than in FV. The results show that, in general, the rainfall simulated by HOMME falls in a regime between that of FV and EUL. Hence, they conclude that the key aspects of rainfall simulation with HOMME falls into an acceptable range, as compared to the existing dynamical cores used in the model. C1 [Mishra, Saroj K.] Natl Ctr Atmospher Res, Inst Math Appl Geosci, Boulder, CO 80305 USA. [Mishra, Saroj K.; Tufo, Henry M.] Univ Colorado, Dept Comp Sci, Boulder, CO 80309 USA. [Taylor, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Mishra, SK (reprint author), Natl Ctr Atmospher Res, Inst Math Appl Geosci, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM saroj@ucar.edu FU National Science Foundation; DOE [DE-F402-07ER64464] FX The National Center for Atmospheric Research is sponsored by the National Science Foundation.; Many researchers have participated in the development of HOMME. We thank Amik St-Cyr, John Dennis, Jim Edwards, Rich Loft, Rory Kelly, and Theron Voran for their contributions to the development of HOMME. We are grateful to Phil Rasch and Dave Williamson for our many fruitful discussions. The research is supported by DOE Grant DE-F402-07ER64464. NR 26 TC 14 Z9 14 U1 0 U2 4 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 J9 J CLIMATE JI J. Clim. PD AUG PY 2011 VL 24 IS 15 BP 4037 EP 4055 DI 10.1175/2011JCLI3860.1 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 806QE UT WOS:000293823900017 ER PT J AU Chakraborty, R Hazen, TC Joyner, DC Kusel, K Singer, ME Sitte, J Torok, T AF Chakraborty, Romy Hazen, Terry C. Joyner, Dominique C. Kuesel, Kirsten Singer, Mary E. Sitte, Jana Torok, Tamas TI Use of immunomagnetic separation for the detection of Desulfovibrio vulgaris from environmental samples SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE Immunomagnetic; Desulfovibrio vulgaris; Detection; Viable; Separation ID SULFATE-REDUCING BACTERIA; MAGNETIC SEPARATION; ESCHERICHIA-COLI; RAPID DETECTION; LISTERIA-MONOCYTOGENES; MICROBIAL COMMUNITY; REDUCTION; CAPTURE; PCR; WATER AB Immunomagnetic separation (IMS) has proved highly efficient for recovering microorganisms from heterogeneous samples. Current investigation targeted the separation of viable cells of the sulfate-reducing bacterium, Desulfovibrio vulgaris. Streptavidin-coupled paramagnetic beads and biotin labeled antibodies raised against surface antigens of this microorganism were used to capture D. vulgaris cells in both bioreactor grown laboratory samples and from extremely low-biomass environmental soil and subsurface drilling samples. Initial studies on detection, recovery efficiency and viability for IMS were performed with laboratory grown D. vulgaris cells using various cell densities. Efficiency of cell isolation and recovery (i.e., release of the microbial cells from the beads following separation) was followed by microscopic imaging and acridine orange direct counts (AODC). Excellent recovery efficiency encouraged the use of IMS to capture Desulfovibrio spp. cells from low-biomass environmental samples. The environmental samples were obtained from a radionuclide-contaminated site in Germany and the chromium (VI)-contaminated Hanford site, an ongoing bioremediation project of the U.S. Department of Energy. Field deployable IMS technology may greatly facilitate environmental sampling and bioremediation process monitoring and enable transcriptomics and proteomics/metabolomics-based studies directly on cells collected from the field. (C) 2011 Elsevier B.V. All rights reserved. C1 [Hazen, Terry C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Kuesel, Kirsten; Sitte, Jana] Univ Jena, Jena, Germany. RP Hazen, TC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, MS 70A 3317,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM tchazen@lbl.gov RI Robertson, Simon/D-1549-2012; Chakraborty, Romy/D-9230-2015; Hazen, Terry/C-1076-2012 OI Chakraborty, Romy/0000-0001-9326-554X; Hazen, Terry/0000-0002-2536-9993 FU Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work conducted by ENIGMA (http://enigma.lbl.gov/) was supported by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We would like to thank My Vu Nguyen for her assistance in performing the experiments. NR 31 TC 7 Z9 7 U1 3 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD AUG PY 2011 VL 86 IS 2 BP 204 EP 209 DI 10.1016/j.mimet.2011.05.005 PG 6 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 802DY UT WOS:000293490700012 PM 21605602 ER PT J AU Liang, C Zhang, XD Wei, LP He, HB Higbee, AJ Balser, TC AF Liang, Chao Zhang, Xudong Wei, Liping He, Hongbo Higbee, Alan J. Balser, Teri C. TI Investigation of the molecular ion structure for aldononitrile acetate derivatized muramic acid SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE Muramic acid; Bacteria; Biomarker; Mass spectrometry ID CHROMATOGRAPHY MASS-SPECTROMETRY; SOIL ORGANIC-MATTER; GAS-CHROMATOGRAPHY; AMINO-SUGARS; DELTA-C-13 ANALYSIS; CARBON; ALDITOL; DUST; MONOSACCHARIDES; SEQUESTRATION AB The muramic acid assay is a powerful tool for detecting both intact bacteria and bacterial debris. Past use of aldononitrile acetate derivatization for determining muramic acid in complex samples by gas chromatography/mass spectrometry met detection needs in many instances; however, questions have been raised regarding the interpretation of the derivative structure and its electron ionization fragments. In this study, we applied different methods and proved that the aldononitrile acetate derivatized muramic acid yields a molecular weight of 398, associated with a lactam structure. We also presented evidence that the structure of aldononitrile acetate derivatized muramic acid is acetylated at four positions, 3 O-acetylations and 1N-acetylation. In practical manner, this communication provides a comprehensive reference to researchers using delta(13)C value or ion fragments of the muramic acid marker in biogeochemical studies. (C) 2011 Elsevier B.V. All rights reserved. C1 [Liang, Chao; Wei, Liping; Higbee, Alan J.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Liang, Chao; Balser, Teri C.] Univ Wisconsin, Dept Soil Sci, Madison, WI 53706 USA. [Zhang, Xudong; He, Hongbo] Chinese Acad Sci, Inst Appl Ecol, Liaoning 110016, Peoples R China. [Wei, Liping] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53706 USA. [Higbee, Alan J.] Univ Wisconsin, Ctr Biotechnol, Madison, WI 53706 USA. RP Liang, C (reprint author), Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. EM chaoliang@wisc.edu RI Liang, Chao/A-5929-2009 FU DOE Great Lakes Bioenergy Research Center (DOE BER office of Science) [DE-FC02-07ER64494]; Chinese Academy of Sciences [KZCX2-YW-T06] FX This work was supported by grants from DOE Great Lakes Bioenergy Research Center (DOE BER office of Science DE-FC02-07ER64494) and the International Partnership Program of Chinese Academy of Sciences (No. KZCX2-YW-T06). We gratefully thank Dr. Harry W. Read for skillful assistance with the laboratory instrument, Dr. Kennedy F. Rubert IV for preparation of the isotopic labeling microbial products, Dr. Amy C. Harms for discussion with the chemistry expertise, and Dr. William F. Bleam for his advice on the earlier stage of this study. NR 37 TC 2 Z9 4 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD AUG PY 2011 VL 86 IS 2 BP 224 EP 230 DI 10.1016/j.mimet.2011.05.007 PG 7 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 802DY UT WOS:000293490700015 PM 21621564 ER PT J AU Yang, TF Gao, Y Huang, XJ Zhang, YW Toulemonde, M Xue, JM Yan, S Wang, YG AF Yang, Tengfei Gao, Yuan Huang, Xuejun Zhang, Yanwen Toulemonde, Marcel Xue, Jianming Yan, Sha Wang, Yugang TI The transformation balance between two types of structural defects in silica glass in ion-irradiation processes SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE Silica glass; Ion irradiation; Intrinsic defect; Nuclear energy loss; Structural modification ID OXYGEN HOLE-CENTERS; AMORPHOUS SIO2; RAMAN-SPECTROSCOPY; ELECTRONIC EXCITATION; NEUTRON-IRRADIATION; OPTICAL-ABSORPTION; PHASE-TRANSITION; VITREOUS SILICA; RADIATION; LASER AB Structural modification in silica glass irradiated by Au ions was investigated by ultraviolet (UV), photoluminescence and Raman spectrum at the energies from 0.5 to 8 MeV with a fluence of 5 x 10(13) cm(-2). In this transit energy region, both nuclear energy loss and electronic energy loss are not negligible. It was found that both the formation of irradiation-induced intrinsic defects and structural transformation from irregular large ring structure (LRS) to small three- and four-member ring structures (SRS) are dominated by the nuclear energy loss. Furthermore, unlike the case of irradiation with beta, gamma or proton, the concentration of non-bridging oxygen hole center is much enhanced followed with a distinct peak appearing at 5.05 eV in the UV absorption spectra that is attributed to divalent Si. The results suggest that the structural modification in silica glass in the transit energy region is dominated by nuclear energy loss. A mutual transformation balance model among irradiation-induced intrinsic defects, LRS and SRS is established to interpret the identical variation tendencies of intrinsic defects and structural transformation with ion energy. (C) 2011 Elsevier B.V. All rights reserved. C1 [Yang, Tengfei; Gao, Yuan; Huang, Xuejun; Xue, Jianming; Yan, Sha; Wang, Yugang] Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Zhang, Yanwen] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhang, Yanwen] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Toulemonde, Marcel] Univ Caen, CIMAP, CEA, CNRS,ENSICAEN, F-14070 Caen 5, France. RP Wang, YG (reprint author), Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. EM ygwang@pku.edu.cn OI , /0000-0003-2655-0804 FU Ministry of Science and Technology of China [2010CB832904, 2008CB717803]; National Natural Science Foundation of China [11075005]; Fundamental Research Funds for the Central Universities; U.S Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was financially supported by the Ministry of Science and Technology of China (2010CB832904, 2008CB717803) and National Natural Science Foundation of China (11075005), Fundamental Research Funds for the Central Universities. Y Zhang is supported by the U.S Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 45 TC 10 Z9 10 U1 1 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD AUG PY 2011 VL 357 IS 16-17 BP 3245 EP 3250 DI 10.1016/j.jnoncrysol.2011.05.017 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 809FZ UT WOS:000294038500032 ER PT J AU Dera, P Lazarz, JD Lavina, B AF Dera, Przemyslaw Lazarz, John D. Lavina, Barbara TI Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Nickel arsenide structure; NiP; High pressure; Phase transitions; Polymorphism; Bonding ID CRYSTAL-STRUCTURE; MNP; TRANSITIONS; SYSTEM; PHASE AB A reversible, displacive, pressure-induced structural phase transition has been found to occur in nickel monophosphide NiP at approximately 3.5 GPa by means of in situ synchrotron single-crystal X-ray diffraction. The new phase, with Pearson symbol oC56, assumes an orthorhombic structure with Cmc2(1) space group and unit cell parameters a=23.801(2) angstrom, b=5.9238(6) angstrom, and c=4.8479(4) angstrom at 5.79 GPa. The high-pressure phase is a superstructure of the ambient, oP16 phase with multiplicity of 3.5. The phosphorous sublattice gradually converts from the net of isolated P-2 dimers found in the ambient NiP, towards zig-zag polymeric P-infinity chains found in MnP-type structures. The transformation involves development of triatomic phosphorous clusters and interconnected Ni slabs with diamondoid topology. The high-pressure phase, which represents intermediate polymerization step, is a commensurately modulated superstructure of the NiAs aristotype. The phase transformation in NiP bears resemblance to the effect of successive substitution of Si or Ge in place of P found in the series of stoichiometric inhomogeneous linear structures in ternary Ni1-xSix and NiP1-xGex systems. (C) 2011 Elsevier Inc. All rights reserved. C1 [Dera, Przemyslaw; Lazarz, John D.] Univ Chicago, Argonne Natl Lab, Ctr Adv Radiat Sources, Argonne, IL 60439 USA. [Lavina, Barbara] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. [Lavina, Barbara] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Dera, P (reprint author), Univ Chicago, Argonne Natl Lab, Ctr Adv Radiat Sources, Bldg 434A 9700 S Cass Ave, Argonne, IL 60439 USA. EM dera@cars.uchicago.edu RI Lavina, Barbara/A-1015-2010; Dera, Przemyslaw/F-6483-2013 OI Lavina, Barbara/0000-0002-8556-7916; FU NSF [EAR-06.22171]; DOE [DE-FG02-94ER14466]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors would like to thank Dr. Nabil Z. Boctor from the Geophysical Laboratory, Carnegie Institution of Washington for kindly providing synthetic NiP material and Prof. Roald Hoffmann, Cornel University, as well as three anonymous reviewers for reading the manuscript and providing very useful suggestions. This work was performed at GSECARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. GSECARS is supported by the NSF Grant EAR-06.22171 and DOE Geosciences Grant DE-FG02-94ER14466. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357. NR 29 TC 6 Z9 6 U1 6 U2 16 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD AUG PY 2011 VL 184 IS 8 BP 1997 EP 2003 DI 10.1016/j.jssc.2011.05.050 PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 806IZ UT WOS:000293802400015 ER PT J AU Cai, L Nino, JC AF Cai, Lu Nino, Juan C. TI Synchrotron and neutron powder diffraction study of phase transition in weberite-type Nd3NbO7 and La3NbO7 SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Weberite-type; Phase transition; Synchrotron powder diffraction; Neutron diffraction ID LOW-TEMPERATURE STRUCTURE; OXIDES LN(3)REO(7) LN; M = NB; MAGNETIC-PROPERTIES; RARE-EARTH; THERMAL-PROPERTIES; CRYSTAL-STRUCTURE; PHOTOCATALYTIC ACTIVITY; LN(3)IRO(7) LN; LN(3)NBO(7) LN AB La3NbO7 and Nd3NbO7 are insulating compounds that have an orthorhombic weberite-type crystal structure and undergo a phase transition at about 360 and 450 K, respectively. The nature of the phase transitions was investigated via heat capacity measurements, synchrotron X-ray and neutron diffraction experiments. It is here shown that above the phase transition temperature, the compounds possess a weberite-type structure described by space group Cmcm (No. 63). Below the phase transition, the high temperature phase transforms into a weberite-type structure with space group Pmcn (No. 62). The phase transformation primarily involves the off-center shifting of Nb5+ ions inside the NbO6 octahedra, combined with shifts of one third of the Ln(3+) (Ln(3+) =La3+ and Nd3+) ions at the center of the LnO(8) polyhedra towards off-center positions. The phase transition was also proven to have great impacts on the dielectric properties. (C) 2011 Elsevier Inc. All rights reserved. C1 [Cai, Lu] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. [Nino, Juan C.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Cai, L (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, POB 2008,MS6454, Oak Ridge, TN 37831 USA. EM cail@ornl.gov RI Cai, Lu/E-5833-2011; Nino, Juan/A-6496-2008 OI Nino, Juan/0000-0001-8256-0535 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy [DE-AC05-00OR22725]; U.S. National Science Foundation [DMR-0449710]; UT-Battelle, LLC. FX The authors would like to thank all the scientists especially Brian Toby at 11-BM, Advanced Photon Source, Argonne National Lab, which is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357; and Clarina R. Dela Cruz and Ovidiu Garlea at HB-2A, High Flux Isotope Reactor, Oak Ridge National Lab which is operated with the support from the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors also would like to thank Sava Denev and Venkatraman Gopalan in Pennsylvania State University for SHG measurements. This work is financial supported by the U.S. National Science Foundation for funding CAREER grant (DMR-0449710). NR 45 TC 5 Z9 5 U1 2 U2 28 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 AUG PY 2011 VL 184 IS 8 BP 2263 EP 2271 DI 10.1016/j.jssc.2011.06.017 PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 806IZ UT WOS:000293802400054 ER PT J AU Bugaris, DE Hodges, JP Huq, A zur Loye, HC AF Bugaris, Daniel E. Hodges, Jason P. Huq, Ashfia zur Loye, Hans-Conrad TI Crystal growth, structures, and optical properties of the cubic double perovskites Ba2MgWO6 and Ba2ZnWO6 SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Tungstate; Crystal growth; Crystal structure; Neutron diffraction; Luminescence ID NEUTRON-DIFFRACTION; MAGNETIC-PROPERTIES; ORDERED PEROVSKITES; SINGLE-CRYSTALS; LUMINESCENCE; TUNGSTATES; TRANSITION; PHASES AB Single crystals of the tungstates Ba2MgWO6 and Ba2ZnWO6 have been grown for the first time. The crystals were prepared with molten potassium carbonate acting as a flux. According to the single-crystal X-ray diffraction structure determination, the compounds crystallize in space group Fm (3) over barm of the cubic system with a double perovskite structure, A(2)BB'O-6. These structural findings were confirmed with neutron diffraction on polycrystalline samples synthesized by a high-temperature solid-state route. Both sets of diffraction data reveal that the M2+ and W6+ cations are fully ordered on the B and B' sites. Ba2MgWO6 and Ba2ZnWO6 exhibit room-temperature luminescence with green and yellow emissions, respectively. (C) 2011 Elsevier Inc. All rights reserved. C1 [Bugaris, Daniel E.; zur Loye, Hans-Conrad] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Hodges, Jason P.; Huq, Ashfia] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP zur Loye, HC (reprint author), Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. EM zurloye@mail.chem.sc.edu RI Hodges, Jason/K-1421-2013; Huq, Ashfia/J-8772-2013; OI Huq, Ashfia/0000-0002-8445-9649; Hodges, Jason/0000-0003-3016-4578; zur Loye, Hans-Conrad/0000-0001-7351-9098 FU U.S. Department of Energy Office of Basic Energy Sciences [DE-SC0001061]; Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC. FX This research was supported by the Heterogeneous Functional Materials for Energy Systems (HeteroFoaM) Energy Frontiers Research Center (EFRC), funded by the U.S. Department of Energy Office of Basic Energy Sciences under Award Number DE-SC0001061. Use of the Spallation Neutron Source is supported by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 38 TC 21 Z9 21 U1 7 U2 43 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD AUG PY 2011 VL 184 IS 8 BP 2293 EP 2298 DI 10.1016/j.jssc.2011.06.015 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 806IZ UT WOS:000293802400058 ER PT J AU Remsen, S Dabrowski, B Chmaissem, O Mais, J Szewczyk, A AF Remsen, S. Dabrowski, B. Chmaissem, O. Mais, J. Szewczyk, A. TI Synthesis and oxygen content dependent properties of hexagonal DyMnO3+delta SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Hexagonal manganites; Structural properties; Thermal expansion; Chemical expansion; Non-stoichiometric oxygen content ID PEROVSKITE-TYPE; NEUTRON-DIFFRACTION; MAGNETIC-PROPERTIES; CHEMICAL EXPANSION; CRYSTAL-STRUCTURE; LAMNO3; ROUTES; YMNO3; RMNO3 AB Oxygen deficient polycrystalline samples of hexagonal P6(3)cm (space group #185) DyMnO3+delta (delta < 0) were synthesized in Ar by intentional decomposition of its perovskite phase obtained in air. The relative stability of these phases is in accord with our previous studies of the temperature and oxygen vacancy dependent tolerance factor. Thermogravimetric measurements have shown that hexagonal samples of DyMnO3+delta (0 < delta < 0.4) exhibit unusually large excess oxygen content, which readily incorporates on heating near 300 degrees C in various partial-pressures of oxygen atmospheres. Neutron and synchrotron diffraction data show the presence of two new structural phases at delta approximate to 0.25 (Hex(2)) and delta approximate to 0.40 (Hex(3)). Rietveld refinements of the Hex(2) phase strongly suggest it is well modeled by the R3 space group (#146). These phases were observed to transform back to P6(3)cm above similar to 350 degrees C when material becomes stoichiometric in oxygen content (delta=0). Chemical expansion of the crystal lattice corresponding to these large changes of oxygen was found to be 3.48 x 10(-2) mol(-1). Thermal expansion of stoichiometric phases were determined to be 11.6 x 10(-6) and 2.1 x 10(-6) K-1 for the P6(3)cm and Hex(2) phases, respectively. Our measurements also indicate that the oxygen non-stoichiometry of hexagonal RMnO3+delta materials may have important influence on their multiferroic properties. (C) 2011 Elsevier Inc. All rights reserved. C1 [Remsen, S.; Dabrowski, B.; Chmaissem, O.; Mais, J.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Dabrowski, B.; Chmaissem, O.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Szewczyk, A.] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. RP Remsen, S (reprint author), No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. EM sremsen@gmail.com RI Szewczyk, Andrzej/A-5774-2008 FU U.S. DOE [DE-AC02-06CH11357]; Polish Ministry of Science and Higher Education [2047/B/H03/2008/34] FX We would like to thank Prof. Leopoldo Suescun (Cryssmat-Lab/Detema, Facultad de Quimica, Universidad de la Republica) for his preliminary structural work and Stephen Boona and Donald Johnson for their laboratory support at Northern Illinois University. This work was supported by the U.S. DOE under Contract no. DE-AC02-06CH11357. Work at PAS was supported by the Polish Ministry of Science and Higher Education from funds for science for 2008-2011 years, as a research project (2047/B/H03/2008/34). NR 37 TC 7 Z9 7 U1 3 U2 27 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 AUG PY 2011 VL 184 IS 8 BP 2306 EP 2314 DI 10.1016/j.jssc.2011.06.037 PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 806IZ UT WOS:000293802400060 ER PT J AU Kotas, CW Rogers, PH Yoda, M AF Kotas, Charlotte W. Rogers, Peter H. Yoda, Minami TI Acoustically induced streaming flows near a model cod otolith and their potential implications for fish hearing SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA LA English DT Article ID GADUS-MORHUA-L; DIRECTIONAL HEARING; COCHLEAR MODELS; AUDITORY-SYSTEM; FIELD; DISCRIMINATION; INFRASOUND; SPHEROIDS; SOUNDS AB The ears of fishes are remarkable sensors for the small acoustic disturbances associated with underwater sound. For example, each ear of the Atlantic cod (Gadus morhua) has three dense bony bodies (otoliths) surrounded by fluid and tissue, and detects sounds at frequencies from 30 to 500 Hz. Atlantic cod have also been shown to localize sounds. However, how their ears perform these functions is not fully understood. Steady streaming, or time-independent, flows near a 350% scale model Atlantic cod otolith immersed in a viscous fluid were studied to determine if these fluid flows contain acoustically relevant information that could be detected by the ear's sensory hair cells. The otolith was oscillated sinusoidally at various orientations at frequencies of 8-24 Hz, corresponding to an actual frequency range of 280-830 Hz. Phase-locked particle pathline visualizations of the resulting flows give velocity, vorticity, and rate of strain fields over a single plane of this mainly two-dimensional flow. Although the streaming flows contain acoustically relevant information, the displacements due to these flows are likely too small to explain Atlantic cod hearing abilities near threshold. The results, however, may suggest a possible mechanism for detection of ultrasound in some fish species. (C) 2011 Acoustical Society of America. [DOI: 10.1121/1.3605295] C1 [Kotas, Charlotte W.; Rogers, Peter H.; Yoda, Minami] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Kotas, CW (reprint author), Oak Ridge Natl Lab, Ctr Engn Sci Adv Res, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM charlotte.kotas@gatech.edu FU Office of Naval Research [N00014-07-1-0238]; General Electric Faculty for the Future Fellowship; Achievement Reward for College Scientists Foundation (ARCS) FX This work was supported by the Office of Naval Research under Award No. N00014-07-1-0238. The first author (C.W.K.) gratefully acknowledges support from a General Electric Faculty for the Future Fellowship and an Achievement Reward for College Scientists Foundation (ARCS) Fellowship. The authors thank Dr. A. D. Hawkins of the University of Aberdeen for helpful discussions on haddock vocalization levels and fish particle velocity thresholds. NR 52 TC 1 Z9 1 U1 0 U2 9 PU ACOUSTICAL SOC AMER AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0001-4966 J9 J ACOUST SOC AM JI J. Acoust. Soc. Am. PD AUG PY 2011 VL 130 IS 2 BP 1049 EP 1059 DI 10.1121/1.3605295 PG 11 WC Acoustics; Audiology & Speech-Language Pathology SC Acoustics; Audiology & Speech-Language Pathology GA 807BK UT WOS:000293866800051 PM 21877817 ER PT J AU Chen, QS Gunzburger, M Ringler, T AF Chen, Qingshan Gunzburger, Max Ringler, Todd TI A Scale-Invariant Formulation of the Anticipated Potential Vorticity Method SO MONTHLY WEATHER REVIEW LA English DT Article ID CENTROIDAL VORONOI TESSELLATIONS; OCEAN CIRCULATION MODELS; SHALLOW-WATER EQUATIONS; 2-DIMENSIONAL TURBULENCE; BETA-PLANE; SCHEMES AB The long-term success of climate models that operate on multiresolution grids depends on access to subgrid parameterizations that act appropriately across a wide range of spatial and temporal scales. As the first step in a series of efforts to obtain such scale-aware subgrid parameterizations, the authors focus on the anticipated potential vorticity method (APVM) on a sequence of quasi-uniform grids with varying resolutions. Through a scale analysis technique and phenomenological theories for two-dimensional turbulent flows, they derive a new formulation of the APVM that depends on a single parameter that is formally independent of the time-step size, the grid resolution, and the flow itself. Results of numerical experiments with this new formulation demonstrate that the optimal parameter of the new APVM formulation is invariant with respect to the time-step size, is insensitive to the flows, and is only weakly dependent on the grid resolution. C1 [Chen, Qingshan; Gunzburger, Max] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. [Ringler, Todd] Los Alamos Natl Lab, Los Alamos, NM USA. RP Chen, QS (reprint author), Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. EM qchen3@fsu.edu RI Chen, Qingshan/D-2880-2011 OI Chen, Qingshan/0000-0003-4076-2627 FU U.S. Department of Energy [DE-SC0002624]; DOE Office of Science [DOE 07SCPF152] FX The authors owe thanks to Mat Maltrud for a careful reading of a draft of this paper and for helpful comments. The authors also thank the anonymous referees, whose comments and suggestions helped to improve the manuscript. Q. Chen and M. Gunzburger were supported by the U.S. Department of Energy Grant DE-SC0002624 as part of the Climate Modeling: Simulating Climate at Regional Scale program. T. Ringler was supported by the DOE Office of Science's Climate Change Prediction Program Grant DOE 07SCPF152. NR 32 TC 15 Z9 15 U1 0 U2 1 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD AUG PY 2011 VL 139 IS 8 BP 2614 EP 2629 DI 10.1175/MWR-D-10-05004.1 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 806RY UT WOS:000293829600018 ER PT J AU Nielsen, J Keasling, JD AF Nielsen, Jens Keasling, Jay D. TI Synergies between synthetic biology and metabolic engineering SO NATURE BIOTECHNOLOGY LA English DT Letter ID GENOME C1 [Nielsen, Jens] Chalmers, Dept Chem & Biol Engn, S-41296 Gothenburg, Sweden. [Keasling, Jay D.] Joint Bioenergy Inst, Emeryville, CA USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Nielsen, J (reprint author), Chalmers, Dept Chem & Biol Engn, S-41296 Gothenburg, Sweden. EM jdkeasling@lbl.gov RI Keasling, Jay/J-9162-2012; OI Keasling, Jay/0000-0003-4170-6088; Nielsen, Jens/0000-0002-9955-6003 NR 6 TC 52 Z9 58 U1 3 U2 46 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1087-0156 J9 NAT BIOTECHNOL JI Nat. Biotechnol. PD AUG PY 2011 VL 29 IS 8 BP 693 EP 695 DI 10.1038/nbt.1937 PG 3 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 804ZV UT WOS:000293696500014 PM 21822239 ER PT J AU Harrington, SA Zhai, JY Denev, S Gopalan, V Wang, HY Bi, ZX Redfern, SAT Baek, SH Bark, CW Eom, CB Jia, QX Vickers, ME MacManus-Driscoll, JL AF Harrington, Sophie A. Zhai, Junyi Denev, Sava Gopalan, Venkatraman Wang, Haiyan Bi, Zhenxing Redfern, Simon A. T. Baek, Seung-Hyub Bark, Chung W. Eom, Chang-Beom Jia, Quanxi Vickers, Mary E. MacManus-Driscoll, Judith L. TI Thick lead-free ferroelectric films with high Curie temperatures through nanocomposite-induced strain SO NATURE NANOTECHNOLOGY LA English DT Article ID FREE PIEZOELECTRIC CERAMICS; PHASE-TRANSITION; EPITAXIAL-FILMS; BATIO3 FILMS; NANOSTRUCTURES; CONDUCTION; TITANATE AB Ferroelectric materials are used in applications ranging from energy harvesting to high-power electronic transducers(1). However, industry-standard ferroelectric materials contain lead, which is toxic and environmentally unfriendly(2). The preferred alternative, BaTiO3, is non-toxic and has excellent ferroelectric properties, but its Curie temperature of similar to 130 degrees C is too low to be practical(3). Strain has been used to enhance the Curie temperature of BaTiO3 (ref. 4) and SrTiO3 (ref. 5) films, but only for thicknesses of tens of nanometres, which is not thick enough for many device applications. Here, we increase the Curie temperature of micrometre-thick films of BaTiO3 to at least 330 degrees C, and the tetragonal-to-cubic structural transition temperature to beyond 800 degrees C, by interspersing stiff, self-assembled vertical columns of Sm2O3 throughout the film thickness. The columns, which are 10 nm in diameter, strain the BaTiO3 matrix by 2.35%, forcing it to maintain its tetragonal structure and resulting in the highest BaTiO3 transition temperatures so far. C1 [Harrington, Sophie A.; Vickers, Mary E.; MacManus-Driscoll, Judith L.] Univ Cambridge, Dept Mat Sci, Cambridge CB2 3QZ, England. [Zhai, Junyi; Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Denev, Sava; Gopalan, Venkatraman] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Wang, Haiyan; Bi, Zhenxing] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Redfern, Simon A. T.] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England. [Baek, Seung-Hyub; Bark, Chung W.; Eom, Chang-Beom] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. RP Harrington, SA (reprint author), Univ Cambridge, Dept Mat Sci, Cambridge CB2 3QZ, England. EM sah59@cam.ac.uk RI Redfern, Simon/B-3733-2010; Baek, Seung-Hyub/B-9189-2013; Bark, Chung Wung/B-9534-2014; Jia, Q. X./C-5194-2008; Eom, Chang-Beom/I-5567-2014; Zhai, Junyi/K-4162-2014; Wang, Haiyan/P-3550-2014 OI Redfern, Simon/0000-0001-9513-0147; Bark, Chung Wung/0000-0002-9394-4240; Wang, Haiyan/0000-0002-7397-1209 FU Downing College Cambridge; European Commission [MEXT-CT-2004-014156]; European Research Council (ERC) [ERC-2009-adG 247276]; UK Engineering and Physical Sciences Research Council; US National Science Foundation [NSF 07-09831, ECCS-0708759] FX The authors are grateful to A. Fouchet for his assistance with preliminary studies. The work was supported by Downing College Cambridge, the European Commission (Marie Curie Excellence Grant 'NanoFen', MEXT-CT-2004-014156), European Research Council (ERC) (grant no. ERC-2009-adG 247276), UK Engineering and Physical Sciences Research Council and US National Science Foundation (NSF 07-09831 and ECCS-0708759). We wish to acknowledge the use of the Chemical Database Service at Daresbury and help from the US Department of Energy through the Los Alamos National Laboratory/Laboratory Directed Research and Development programme and the Center for Integrated Nanotechnologies. NR 33 TC 72 Z9 72 U1 11 U2 137 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 AUG PY 2011 VL 6 IS 8 BP 491 EP 495 DI 10.1038/NNANO.2011.98 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 802HH UT WOS:000293499400008 PM 21725306 ER PT J AU Riedel, O Dodel, R Deuschl, G Forstl, H Henn, F Heuser, I Oertel, W Reichmann, H Riederer, P Trenkwalder, C Wittchen, HU AF Riedel, O. Dodel, R. Deuschl, G. Foerstl, H. Henn, F. Heuser, I. Oertel, W. Reichmann, H. Riederer, P. Trenkwalder, C. Wittchen, H. U. TI Dementia and depression determine care dependency in Parkinson's disease. Analysis of 1,449 outpatients receiving nursing care in Germany SO NERVENARZT LA German DT Article DE Parkinson's disease; Dementia; Depression; Nursing Care; Non-motor symptoms ID PREVALENCE AB Parkinson's disease (PD) is frequently accompanied by dementia or depression which can aggravate the clinical picture of the disease and increase the risk of care dependency (CD). Little is known about the associations between PD, these neuropsychiatric comorbidities and CD in outpatients. A nationwide sample of outpatients (n=1,449) was examined by office-based neurologists (n=315) comprising the documentation of the general, neurological status and the degree of CD. The dementia status was clinically rated according to the established DSM-IV criteria. Depression was screened with the Montgomery-Asberg Depression Rating Scale (MADRS). Overall, 18.3% of all patients were care dependent. Even after adjustment for PD severity, patients with depression (OR=2.8; 95% CI 1.8-4.3), dementia (OR=2.7; 95% CI 1.8-4.1) or both (OR=3.9; 95% CI 2.5-60,0) were at higher risk for CD than patients without dementia or depression. Patients aged a parts per thousand yen76 years were fourfold more likely to be care dependent than patients aged a parts per thousand currency sign65 years (OR=3.5; 95% CI 2.3-5.5). Across all age groups, patients with depression featured the highest increments (from 11.9 to 42.0%). The risk for CD is substantially elevated in outpatients with PD when further neuropsychiatric symptoms are present. The data suggest that depression contributes equally to disability as does dementia. C1 [Riedel, O.; Wittchen, H. U.] Tech Univ Dresden, Inst Klin Psychol & Psychotherapie, D-01187 Dresden, Germany. [Dodel, R.; Oertel, W.] Univ Marburg, Neurol Klin, Marburg, Germany. [Deuschl, G.] Univ Kiel, Neurol Klin, D-2300 Kiel, Germany. [Foerstl, H.] Tech Univ Munich, Klin & Poliklin Psychiat & Psychotherapie, Munich, Germany. [Henn, F.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Heuser, I.] Charite, Klin Psychiat & Psychotherapie, D-13353 Berlin, Germany. [Reichmann, H.] Univ Klinikum CG Carus, Klin & Poliklin Neurol, Dresden, Germany. [Riederer, P.] Univ Klinikum, Klin & Poliklin Psychiat & Psychotherapie, Wurzburg, Germany. [Trenkwalder, C.] Paracelsus Elena Klin, Kassel, Germany. RP Riedel, O (reprint author), Tech Univ Dresden, Inst Klin Psychol & Psychotherapie, Chemnitzer Str 46, D-01187 Dresden, Germany. EM riedel@psychologie-tu-dresden.de RI Wittchen, Hans-Ulrich/A-8507-2014; Deuschl, Gunther/A-7986-2010; OI Wittchen, Hans-Ulrich/0000-0002-6311-7711 NR 13 TC 5 Z9 5 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0028-2804 J9 NERVENARZT JI Nervenarzt PD AUG PY 2011 VL 82 IS 8 BP 1012 EP 1019 DI 10.1007/s00115-010-3186-2 PG 8 WC Clinical Neurology; Psychiatry SC Neurosciences & Neurology; Psychiatry GA 808HL UT WOS:000293968500009 PM 21523443 ER PT J AU Yan, HF Rose, V Shu, DM Lima, E Kang, HC Conley, R Liu, CA Jahedi, N Macrander, AT Stephenson, GB Holt, M Chu, YS Lu, M Maser, J AF Yan, Hanfei Rose, Volker Shu, Deming Lima, Enju Kang, Hyon Chol Conley, Ray Liu, Chian Jahedi, Nima Macrander, Albert T. Stephenson, G. Brian Holt, Martin Chu, Yong S. Lu, Ming Maser, Joerg TI Two dimensional hard x-ray nanofocusing with crossed multilayer Laue lenses SO OPTICS EXPRESS LA English DT Article ID RESOLUTION AB Hard x-ray microscopy with nanometer resolution will open frontiers in the study of materials and devices, environmental sciences, and life sciences by utilizing the unique characterization capabilities of x-rays. Here we report two-dimensional nanofocusing by multilayer Laue lenses (MLLs), a type of diffractive optics that is in principle capable of focusing x-rays to 1 nm. We demonstrate focusing to a 25 x 27 nm(2) FWHM spot with an efficiency of 2% at a photon energy of 12 keV, and to a 25 x 40 nm(2) FWHM spot with an efficiency of 17% at a photon energy of 19.5 keV. (C) 2011 Optical Society of America C1 [Yan, Hanfei; Stephenson, G. Brian; Holt, Martin; Maser, Joerg] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Rose, Volker; Shu, Deming; Conley, Ray; Liu, Chian; Jahedi, Nima; Macrander, Albert T.; Maser, Joerg] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Yan, Hanfei; Lima, Enju; Conley, Ray; Chu, Yong S.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Kang, Hyon Chol] Chosun Univ, Dept Adv Mat Engn, Kwangju 501759, South Korea. [Kang, Hyon Chol] Chosun Univ, Educ Ctr Mould Technol Adv Mat & Parts BK21, Kwangju 501759, South Korea. [Lu, Ming] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Yan, HF (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM maser@anl.gov RI Conley, Ray/C-2622-2013; Maser, Jorg/K-6817-2013; Rose, Volker/B-1103-2008; Yan, Hanfei/F-7993-2011 OI Rose, Volker/0000-0002-9027-1052; Yan, Hanfei/0000-0001-6824-0367 FU Department of Energy, Office of Basic Energy Sciences [DE-AC-02-06CH11357, DE-AC-02-98CH10886]; Ministry of Education, Science and Technology (MEST) [R15-2008-006-01000-0] FX We thank R. Winarski and P. Fuesz for their support in preparing the experiments. We thank R. Porter for implementation of instrument controls, and X. Jiao and A. Miceli for help with beamline controls. Work at Argonne, including use of the Advanced Photon Source and Center for Nanoscale Materials, was supported by the Department of Energy, Office of Basic Energy Sciences under contract DE-AC-02-06CH11357. Work at Brookhaven was supported by the Department of Energy, Office of Basic Energy Sciences under contract DE-AC-02-98CH10886. One of the authors (H. C. Kang) would like to acknowledge the support by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (MEST No. R15-2008-006-01000-0). NR 22 TC 58 Z9 58 U1 0 U2 27 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD AUG 1 PY 2011 VL 19 IS 16 BP 15069 EP 15076 DI 10.1364/OE.19.015069 PG 8 WC Optics SC Optics GA 800DF UT WOS:000293339200031 PM 21934868 ER PT J AU Heshmat, B Pahlevaninezhad, H Beard, MC Papadopoulos, C Darcie, TE AF Heshmat, Barmak Pahlevaninezhad, Hamid Beard, Matthew Craig Papadopoulos, Chris Darcie, Thomas Edward TI Single-walled carbon nanotubes as base material for THz photoconductive switching: a theoretical study from input power to output THz emission SO OPTICS EXPRESS LA English DT Article ID TEMPERATURE-GROWN GAAS; TERAHERTZ RADIATION; CARRIER DYNAMICS; FILMS; PHOTOMIXERS; GENERATION; MOBILITY; CONVERSION; TRANSPORT; BUNDLES AB This paper studies the relation between photoexcitation of a single-walled carbon nanotube (SWNT) based device, and its THz output power in the context of THz photoconductive (PC) switching and THz photomixing. A detailed approach of calculating output THz power for such a device describes the effect of each parameter on the performance of the THz PC switch and highlights the design dependent achievable limits. A numerical assessment, with typical values for each parameter, shows that-subject to thermal stability of the device-SWNT based PC switch can improve the output power by almost two orders of magnitudes compared to conventional materials such as LT-GaAs. (C) 2011 Optical Society of America C1 [Heshmat, Barmak; Pahlevaninezhad, Hamid; Papadopoulos, Chris; Darcie, Thomas Edward] Univ Victoria, Dept Elect & Comp Engn, Victoria, BC V8P 5C2, Canada. [Beard, Matthew Craig] Natl Renewable Energy Lab, Chem & Mat Res Ctr, Golden, CO 80401 USA. RP Heshmat, B (reprint author), Univ Victoria, Dept Elect & Comp Engn, 3800 Finnerty Rd, Victoria, BC V8P 5C2, Canada. EM barmak@uvic.ca OI BEARD, MATTHEW/0000-0002-2711-1355 NR 45 TC 11 Z9 11 U1 1 U2 14 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD AUG 1 PY 2011 VL 19 IS 16 BP 15077 EP 15089 DI 10.1364/OE.19.015077 PG 13 WC Optics SC Optics GA 800DF UT WOS:000293339200032 PM 21934869 ER PT J AU Yang, YP Singh, R Zhang, WL AF Yang, Yuping Singh, Ranjan Zhang, Weili TI Anomalous terahertz transmission in bow-tie plasmonic antenna apertures SO OPTICS LETTERS LA English DT Article ID METALLIC HOLE ARRAYS; TIME-DOMAIN SPECTROSCOPY; FIELD ENHANCEMENT AB Arrays of subwavelength dipole bow-tie apertures are designed and characterized at terahertz frequencies. For an incident terahertz field perpendicular to the longer axis of the bow tie, a strong resonance enhancement, line narrowing, and a nonmonotonic frequency shift were observed with increasing length of the tapered bow-tie arms. Such characteristic behaviors primarily originate from localized surface plasmon resonances. In addition, with a decreasing aperture size, the contribution of localized plasmons becomes prominent due to an increase in plasmonic lifetime as the terahertz pulses strongly couple with the metallic surface surrounding the bow-tie apertures. (C) 2011 Optical Society of America C1 [Yang, Yuping; Zhang, Weili] Oklahoma State Univ, Sch Elect & Comp Engn, Stillwater, OK 74078 USA. [Yang, Yuping] Minzu Univ China, Sch Sci, Beijing 100081, Peoples R China. [Singh, Ranjan] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Zhang, WL (reprint author), Oklahoma State Univ, Sch Elect & Comp Engn, Stillwater, OK 74078 USA. EM weili.zhang@okstate.edu RI Singh, Ranjan/B-4091-2010; Zhang, Weili/C-5416-2011 OI Singh, Ranjan/0000-0001-8068-7428; Zhang, Weili/0000-0002-8591-0200 FU U.S. National Science Foundation (NSF); National Natural Science Foundation of China (NSFC) [61028011] FX This work was supported by the U.S. National Science Foundation (NSF) and the National Natural Science Foundation of China (NSFC) (Grant No. 61028011). NR 27 TC 16 Z9 16 U1 1 U2 13 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD AUG 1 PY 2011 VL 36 IS 15 BP 2901 EP 2903 PG 3 WC Optics SC Optics GA 807HV UT WOS:000293888000052 PM 21808352 ER PT J AU Liu, CJ Jing, JT Zhou, ZF Pooser, RC Hudelist, F Zhou, L Zhang, WP AF Liu, Cunjin Jing, Jietai Zhou, Zhifan Pooser, Raphael C. Hudelist, Florian Zhou, Lu Zhang, Weiping TI Realization of low frequency and controllable bandwidth squeezing based on a four-wave-mixing amplifier in rubidium vapor SO OPTICS LETTERS LA English DT Article ID STATES AB We experimentally demonstrate the creation of two correlated beams generated by a nondegenerate four-wave-mixing amplifier at lambda = 795 nm in hot rubidium vapor. We achieve intensity difference squeezing at frequencies as low as 1.5 kHz which is so far the lowest frequency to observe squeezing in an atomic system. The squeezing spans from 5.5 to 16.5 MHz with a maximum squeezing of -5 dB at 1 MHz. We can control the squeezing bandwidth by changing the pump power. Both low frequency and controllable bandwidth squeezing show great potential in sensitivity detection and precise control of the atom optics measurement. (C) 2011 Optical Society of America C1 [Liu, Cunjin; Jing, Jietai; Zhou, Zhifan; Hudelist, Florian; Zhou, Lu; Zhang, Weiping] E China Normal Univ, Dept Phys, State Key Lab Precis Spect, Shanghai 200062, Peoples R China. [Liu, Cunjin; Jing, Jietai; Zhou, Zhifan; Hudelist, Florian; Zhou, Lu; Zhang, Weiping] E China Normal Univ, Dept Phys, Quantum Inst Light & Atoms, Shanghai 200062, Peoples R China. [Pooser, Raphael C.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Jing, JT (reprint author), E China Normal Univ, Dept Phys, State Key Lab Precis Spect, Shanghai 200062, Peoples R China. EM jtjing@phy.ecnu.edu.cn; wpzhang@phy.ecnu.edu.cn RI Zhang, Weiping/L-7020-2014; Zhang, Weiping/E-1076-2017; OI Zhang, Weiping/0000-0001-5098-4042; Pooser, Raphael/0000-0002-2922-453X FU National Natural Science Foundation of China (NSFC) [10974057]; Shanghai Pujiang Program [09PJ1404400]; Shanghai Institutions of Higher Learning; Program for New Century Excellent Talents in University; National Basic Research Program of China (973 Program) [2011CB921604] FX We acknowledge the support from the National Natural Science Foundation of China (NSFC) under grant 10974057, Shanghai Pujiang Program under grant 09PJ1404400, the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, the Program for New Century Excellent Talents in University, and the National Basic Research Program of China (973 Program) under grant 2011CB921604. We thank Professor Paul. D. Lett and Professor Luis A. Orozco for valuable discussions and suggestions; we also show gratitude to Professor Longsheng Ma and Professor Zhiyi Bi for the loan of the FFT spectrum analyzer. NR 13 TC 23 Z9 23 U1 1 U2 10 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD AUG 1 PY 2011 VL 36 IS 15 BP 2979 EP 2981 PG 3 WC Optics SC Optics GA 807HV UT WOS:000293888000078 PM 21808378 ER PT J AU Zhang, YF Duckworth, RC Ha, TT Gouge, MJ AF Zhang, Yifei Duckworth, Robert C. Ha, Tam T. Gouge, Michael J. TI Solderability study of RABiTS-based YBCO coated conductors SO PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS LA English DT Article DE Coated conductor; Solderability; Solder joint; Joint resistance ID AMERICAN SUPERCONDUCTOR; JOINT; TAPES; WIRE AB The solderability of commercially available YBa(2)Cu(3)O(7-x), (YBCO) coated conductors that were made from Rolling Assisted Biaxially Textured Substrates (RABiTS)-based templates was studied. The coated conductors. also known as second-generation (2G) high temperature superconductor (HTS) wires (in the geometry of flat tapes about 4 mm wide), were laminated with copper, brass, or stainless steel strips as stabilizers. To understand the factors that influence their solderability, surface profilometry and scanning electron microscopy were used to characterize the wire surfaces. The solderability of three solders, 52In48Sn, 67Bi33In, and 100In (wt.%), was evaluated using a standard test (IPC/ECA J-STD-002) and with two different commercial fluxes. It was found that the solderability varied with the solder and flux but the three different wires showed similar solderability for a fixed combination of solder and flux. Solder joints of the 2G wires were fabricated using the tools and the procedures recommended by the HTS wire manufacturer. The solder joints were made in a lap-joint geometry and with the superconducting sides of the two wires face-to-face. The electrical resistances of the solder joints were measured at 77 K. and the results were analyzed to qualify the soldering materials and evaluate the soldering process. It was concluded that although the selection of soldering materials affected the resistance of a solder joint, the resistivity of the stabilizer was the dominant factor. (C) 2011 Published by Elsevier B.V. C1 [Duckworth, Robert C.] Oak Ridge Natl Lab, Appl Superconduct Grp, Fus Energy Div, Oak Ridge, TN 37831 USA. RP Duckworth, RC (reprint author), Oak Ridge Natl Lab, Appl Superconduct Grp, Fus Energy Div, POB 2008, Oak Ridge, TN 37831 USA. EM duckworthrc@ornl.gov FU U.S. Department of Energy Office of Electricity Delivery and Energy Reliability [DE-AC05-00OR22725] FX The work was sponsored by the U.S. Department of Energy Office of Electricity Delivery and Energy Reliability - Advanced Cables and Conductors Program under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 28 TC 4 Z9 4 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4534 J9 PHYSICA C JI Physica C PD AUG PY 2011 VL 471 IS 15-16 BP 437 EP 443 DI 10.1016/j.physc.2011.03.009 PG 7 WC Physics, Applied SC Physics GA 807ZD UT WOS:000293940700001 ER PT J AU Qu, J Chi, MF Meyer, HM Blau, PJ Dai, S Luo, HM AF Qu, Jun Chi, Miaofang Meyer, Harry M., III Blau, Peter J. Dai, Sheng Luo, Huimin TI Nanostructure and Composition of Tribo-Boundary Films Formed in Ionic Liquid Lubrication SO TRIBOLOGY LETTERS LA English DT Article DE Ionic liquid; Boundary film; Tribochemical reaction; Lubricant; TEM; FIB ID STEEL-ALUMINUM CONTACTS; TEMPERATURE; ADDITIVES; AMMONIUM AB Since the idea of using ionic liquids (ILs) as lubricants was raised in 2001, many studies have been conducted in this area and results have demonstrated superior lubricating performance for a variety of ILs. It is widely believed that a protective tribo-boundary film is formed on the contact area by tribochemical reactions between the metal surface and the IL during the wear process and, as a result, reduces friction and wear. However, the study of this critical boundary film in the literature has been limited to two-dimensional topography examination and chemical analysis from the top surface. This study demonstrates a multi-technique three-dimensional approach to characterize the boundary films on IL-lubricated metallic surfaces. The complementary characterizations at the top surface, cross-section, and different layers of the boundary film provide direct measurement of the film thickness, visualization of the nanostructure, and analysis of the composition change. The boundary films observed on different alloys are substantially distinct from both physical and chemical perspectives. The measured mean film thicknesses for cast iron, steel, and aluminum worn surfaces are 300, 60, and 200 nm, respectively. The boundary films on ferrous alloys are dominated by amorphous phase mixing with well-dispersed very fine (a few nm) nanocrystals, while the film on aluminum contains many larger size (tens of nm) metallic particles in a less organized manner. C1 [Qu, Jun; Chi, Miaofang; Meyer, Harry M., III; Blau, Peter J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. RP Qu, J (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008,MS-6063, Oak Ridge, TN 37831 USA. EM qujn@ornl.gov RI Chi, Miaofang/Q-2489-2015; Dai, Sheng/K-8411-2015; OI Chi, Miaofang/0000-0003-0764-1567; Dai, Sheng/0000-0002-8046-3931; Qu, Jun/0000-0001-9466-3179 FU Office of Energy Efficiency and Renewable Energy; SHaRE User Facility, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors thank D. W. Coffey, Dr. D. G. Bansal, and Dr. H. Xu for TEM sample preparation using FIB, conducting part of the wear tests, and taking SEM images, respectively. Research sponsored by the Vehicle Technologies Program, Office of Energy Efficiency and Renewable Energy, and the SHaRE User Facility, Office of Basic Energy Sciences, U.S. Department of Energy. NR 16 TC 22 Z9 22 U1 6 U2 40 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1023-8883 J9 TRIBOL LETT JI Tribol. Lett. PD AUG PY 2011 VL 43 IS 2 BP 205 EP 211 DI 10.1007/s11249-011-9800-z PG 7 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA 807RT UT WOS:000293918100011 ER PT J AU Jardine, PM Mehlhorn, TL Bailey, WB Brooks, SC Fendorf, S Gentry, RW Phelps, TJ Saiers, JE AF Jardine, P. M. Mehlhorn, T. L. Bailey, W. B. Brooks, S. C. Fendorf, S. Gentry, R. W. Phelps, T. J. Saiers, J. E. TI Geochemical Processes Governing the Fate and Transport of Chromium(III) and Chromium(VI) in Soils SO VADOSE ZONE JOURNAL LA English DT Article ID HETEROGENEOUS POROUS-MEDIA; HEXAVALENT CHROMIUM; CHROMATE REDUCTION; ALUMINUM ADSORPTION; SURFACE-REACTIONS; OXIDATION; IRON; SUBSURFACE; MECHANISMS; CR(VI) AB Chromium has served as an exceptional and necessary elemental component of many industrial processes and consumer products. Its prevalence in the global environment as both a dissolved and wind-borne constituent has prompted concern during the last several decades due to the large migration potential and biological toxicity of various Cr chemical species. The objective of this study was to develop an improved understanding and predictive capability of the rates and mechanisms of competing geochemical redox and sorption reactions that govern the fate and transport of Cr(III) and C(VI) in heterogeneous subsurface environments. Batch and miscible displacement experiments, coupled with solid-phase spectroscopy methods, were utilized to quantify the interaction of Cr with subsurface materials acquired from three geographically distinct locations within the continental United States that represented soils from different Department of Energy facilities known to have issues regarding Cr contamination. Soil chemical and mineralogical properties were found to be important factors controlling the mechanisms of Cr-solid phase interactions, with many of the reactive processes being time dependent. Both sorption and redox reactions impacted Cr(III)- and Cr(VI)-solid phase interactions and were modeled as nonlinear, nonequilibrium or equilibrium, reversible or nonreversible reactive processes. The research investigations within this study highlight the environmental significance of Cr speciation and solid-phase reactivity in heterogeneous subsurface soil systems with contrasting geochemical and mineralogical properties. C1 [Jardine, P. M.] Univ Tennessee, Biosyst Engn & Soil Sci Dep, Inst Secure & Sustainable Environm, Knoxville, TN 37996 USA. [Mehlhorn, T. L.; Brooks, S. C.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Bailey, W. B.] Oak Ridge Natl Lab, Div Nucl Sci, Oak Ridge, TN 37831 USA. [Fendorf, S.] Stanford Univ, Dep Environm Earth Syst Sci, Stanford, CA 94305 USA. [Gentry, R. W.] Univ Tennessee, Dep Civil Engn, Inst Secure & Sustainable Environm, Knoxville, TN 37996 USA. [Phelps, T. J.] Oak Ridge Natl Lab, Div Biol Sci, Oak Ridge, TN 37831 USA. [Saiers, J. E.] Yale Univ, Sch Forestry & Environm Studies, New Haven, CT 06511 USA. RP Jardine, PM (reprint author), Univ Tennessee, Biosyst Engn & Soil Sci Dep, Inst Secure & Sustainable Environm, Knoxville, TN 37996 USA. EM pjardine@utk.edu RI Brooks, Scott/B-9439-2012; Gentry, Randall/J-8177-2012 OI Brooks, Scott/0000-0002-8437-9788; Gentry, Randall/0000-0003-2477-8127 FU USDOE, Office of Science, Biological Environmental Research, Climate and Environmental Sciences Division (CESD); USDOE [DEAC05-00OR22725] FX This research was sponsored by the USDOE, Office of Science, Biological Environmental Research, Climate and Environmental Sciences Division (CESD). Oak Ridge National Lab. is managed by UT-Battelle LLC for the USDOE under Contract DEAC05-00OR22725. NR 68 TC 10 Z9 10 U1 4 U2 51 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD AUG PY 2011 VL 10 IS 3 BP 1058 EP 1070 DI 10.2136/vzj2010.0102 PG 13 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 808UX UT WOS:000294007600022 ER PT J AU Yin, J Garen, CR Bateman, K Yu, MM Lyon, EZA Habel, J Kim, H Hung, LW Kim, CY James, MNG AF Yin, Jiang Garen, Craig R. Bateman, Katherine Yu, Minmin Lyon, Emily Z. Alipio Habel, Jeff Kim, Heungbok Hung, Li-Wei Kim, Chang-Yub James, Michael N. G. TI Expression, purification and preliminary crystallographic analysis of O-acetylhomoserine sulfhydrylase from Mycobacterium tuberculosis SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID METHIONINE GAMMA-LYASE; CYSTATHIONINE BETA-LYASE; CRYSTAL-STRUCTURE; PSEUDOMONAS-PUTIDA; CITROBACTER-FREUNDII; STRUCTURAL GENOMICS; ESCHERICHIA-COLI; SEQUENCE; SPECIFICITY; RESOLUTION AB The gene product of the open reading frame Rv3340 from Mycobacterium tuberculosis is annotated as encoding a probable O-acetylhomoserine (OAH) sulfhydrylase (MetC), an enzyme that catalyzes the last step in the biosynthesis of methionine, which is an essential amino acid in bacteria and plants. Following overexpression in Escherichia coli, the M. tuberculosis MetC enzyme was purified and crystallized using the hanging-drop vapor-diffusion method. Native diffraction data were collected from crystals belonging to space group P2(1) and were processed to a resolution of 2.1 angstrom. C1 [Yin, Jiang; Garen, Craig R.; Bateman, Katherine; James, Michael N. G.] Univ Alberta, Dept Biochem, Prot Struct & Funct Grp, Sch Mol & Syst Med,Fac Med & Dent, Edmonton, AB T6G 2H7, Canada. [Yu, Minmin; Habel, Jeff; Hung, Li-Wei] Univ Calif Berkeley, EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Lyon, Emily Z. Alipio; Kim, Heungbok; Kim, Chang-Yub] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Yin, J (reprint author), Univ Alberta, Dept Biochem, Prot Struct & Funct Grp, Sch Mol & Syst Med,Fac Med & Dent, Edmonton, AB T6G 2H7, Canada. EM jyin@ualberta.ca; michael.james@ualberta.ca OI Kim, Chang-Yub/0000-0001-9353-5909; Kim, Heungbok/0000-0002-4359-8423 FU Alberta Heritage Foundation for Medical Research (AHFMR); Canadian Institute of Health Research (CIHR) FX X-ray diffraction data for form II Rv3340 crystals were collected on beamline BL9-2 at the Stanford Synchrotron Radiation Laboratory. We would also like to thank the staff at beamline 5.0.2 of the Advanced Light Source at Lawrence Berkeley National Laboratory for help with data collection on form I Rv3340 crystals. Research in the laboratory of MNGJ is funded by the Alberta Heritage Foundation for Medical Research (AHFMR) and the Canadian Institute of Health Research (CIHR). MNGJ held a Canada Research Chair in Protein Structure and Function. JY is grateful for the support of a postdoctoral fellowship from AHFMR. NR 25 TC 1 Z9 2 U1 0 U2 2 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. Cryst. Commun. PD AUG PY 2011 VL 67 BP 959 EP 963 DI 10.1107/S1744309111017611 PN 8 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 805AM UT WOS:000293698400028 PM 21821905 ER PT J AU Stojanoff, V Jakoncic, J Oren, DA Nagarajan, V Poulsen, JCN Adams-Cioaba, MA Bergfors, T Sommer, MOA AF Stojanoff, Vivian Jakoncic, Jean Oren, Deena A. Nagarajan, V. Poulsen, Jens-Christian Navarro Adams-Cioaba, Melanie A. Bergfors, Terese Sommer, Morten O. A. TI From screen to structure with a harvestable microfluidic device SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID CRYSTALLOGRAPHIC STRUCTURE DETERMINATION; PROTEIN CRYSTALLIZATION; MACROMOLECULAR CRYSTALLIZATION; CRYSTALS; DIFFRACTION; COUNTERDIFFUSION; REFINEMENT; DIFFUSION; STRATEGY; MODEL AB Advances in automation have facilitated the widespread adoption of high-throughput vapour-diffusion methods for initial crystallization screening. However, for many proteins, screening thousands of crystallization conditions fails to yield crystals of sufficient quality for structural characterization. Here, the rates of crystal identification for thaumatin, catalase and myoglobin using microfluidic Crystal Former devices and sitting-drop vapour-diffusion plates are compared. It is shown that the Crystal Former results in a greater number of identified initial crystallization conditions compared with vapour diffusion. Furthermore, crystals of thaumatin and lysozyme obtained in the Crystal Former were used directly for structure determination both in situ and upon harvesting and cryocooling. On the basis of these results, a crystallization strategy is proposed that uses multiple methods with distinct kinetic trajectories through the protein phase diagram to increase the output of crystallization pipelines. C1 [Adams-Cioaba, Melanie A.; Sommer, Morten O. A.] Microlyt ApS, DK-4000 Roskilde, Denmark. [Stojanoff, Vivian; Jakoncic, Jean] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Oren, Deena A.] Rockefeller Univ, Struct Biol Resource Ctr, New York, NY 10065 USA. [Nagarajan, V.] JAN Sci Inc, Seattle, WA 98105 USA. [Poulsen, Jens-Christian Navarro] Univ Copenhagen, Dept Chem, Biophys Chem Grp, DK-2100 Copenhagen, Denmark. [Bergfors, Terese] Uppsala Univ, Dept Cell & Mol Biol, SE-75124 Uppsala, Sweden. RP Sommer, MOA (reprint author), Microlyt ApS, Univ Pk 7, DK-4000 Roskilde, Denmark. EM ms@microlytic.com RI stojanoff, vivian /I-7290-2012 OI stojanoff, vivian /0000-0002-6650-512X FU National Institute of General Medical Sciences, National Institute of Health [GM-0080]; US Department of Energy [DE-AC02-98CH10886]; Danish Natural Science Research Council [21-04-0565] FX Research carried out at X6A is funded by the National Institute of General Medical Sciences, National Institute of Health under agreement GM-0080. The National Synchrotron Light Source, Brookhaven National Laboratory is supported by the US Department of Energy under contract No. DE-AC02-98CH10886. Funding for JCNP was obtained from the Danish Natural Science Research Council (J. No. 21-04-0565). The authors MAC and MOAS declare that they have competing financial interests as they are employed by Microlytic North America Inc. The author VN also has a competing financial interest as he is employed by JAN Scientific USA. NR 28 TC 11 Z9 11 U1 3 U2 14 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD AUG PY 2011 VL 67 BP 971 EP 975 DI 10.1107/S1744309111024456 PN 8 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 805AM UT WOS:000293698400031 PM 21821908 ER PT J AU Headrick, JM Goulay, F Schrader, PE Michelsen, HA AF Headrick, J. M. Goulay, F. Schrader, P. E. Michelsen, H. A. TI High-vacuum time-resolved laser-induced incandescence of flame-generated soot SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID PRIMARY PARTICLE-SIZE; LAMINAR DIFFUSION FLAMES; VOLUME FRACTION; ACCOMMODATION COEFFICIENT; TEMPERATURE-MEASUREMENTS; CONTROLLED DIMENSIONS; AERODYNAMIC LENSES; NOZZLE EXPANSIONS; HEAT-CONDUCTION; LII AB We have measured time-resolved laser-induced incandescence of flame-generated soot under high-vacuum conditions (4.1x10(-6) mbar) at an excitation wavelength of 532 nm with laser fluences spanning 0.06-0.5 J/cm(2). We generated soot in an ethylene/air diffusion flame, introduced it into the vacuum system with an aerodynamic lens, heated it using a pulsed laser with a spatially homogeneous and temporally smooth laser profile, and recorded LII temporal profiles at 685 nm. At low laser fluences LII signal decay rates are slow, and LII signals persist beyond the residence time of the soot particles in the detection region. At these fluences, the temporal maximum of the LII signal increases nearly linearly with increasing laser fluence until reaching a plateau at similar to 0.18 J/cm(2). At higher fluences, the LII signal maximum is independent of laser fluence within experimental uncertainty. At these fluences, the LII signal decays rapidly during the laser pulse. The fluence dependence of the vacuum LII signal is qualitatively similar to that observed under similar laser conditions in an atmospheric flame but requires higher fluences (by similar to 0.03 J/cm(2)) for initiation. These data demonstrate the feasibility of recording vacuum LII temporal profiles of flame-generated soot under well-characterized conditions for model validation. C1 [Headrick, J. M.; Goulay, F.; Schrader, P. E.; Michelsen, H. A.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Michelsen, HA (reprint author), Sandia Natl Labs, POB 969,MS 9055, Livermore, CA 94551 USA. EM hamiche@sandia.gov FU National Nuclear Security Administration [DE-AC04-94-AL85000]; Division of Chemical Sciences, Geosciences, and Biosciences; Office of Basic Energy Sciences; US Department of Energy FX We thank Daniel Strong for the rendition of the experimental setup shown in Fig. 1. This work was funded by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the US Department of Energy. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. NR 86 TC 4 Z9 4 U1 1 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0946-2171 EI 1432-0649 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD AUG PY 2011 VL 104 IS 2 SI SI BP 439 EP 450 DI 10.1007/s00340-011-4450-2 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA 805TL UT WOS:000293751800016 ER PT J AU Feldmann, R Carollo, CM Mayer, L AF Feldmann, R. Carollo, C. M. Mayer, L. TI THE HUBBLE SEQUENCE IN GROUPS: THE BIRTH OF THE EARLY-TYPE GALAXIES SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: elliptical and lenticular, cD; galaxies: evolution; galaxies: groups: general; galaxies: interactions ID LAMBDA-CDM UNIVERSE; COLD DARK-MATTER; TULLY-FISHER RELATION; URSA-MAJOR CLUSTER; SIMILAR-TO 1; MORPHOLOGICAL TRANSFORMATION; POPULATION SYNTHESIS; ELLIPTIC GALAXIES; DISK GALAXIES; MASS FUNCTION AB The physical mechanisms and timescales that determine the morphological signatures and the quenching of star formation of typical (similar to L-*) elliptical galaxies are not well understood. To address this issue, we have simulated the formation of a group of galaxies with sufficient resolution to track the evolution of gas and stars inside about a dozen galaxy group members over cosmic history. Galaxy groups, which harbor many elliptical galaxies in the universe, are a particularly promising environment to investigate morphological transformation and star formation quenching, due to their high galaxy density, their relatively low velocity dispersion, and the presence of a hot intragroup medium. Our simulation reproduces galaxies with different Hubble morphologies and, consequently, enables us to study when and where the morphological transformation of galaxies takes place. The simulation does not include feedback from active galactic nuclei showing that it is not an essential ingredient for producing quiescent, red elliptical galaxies in galaxy groups. Ellipticals form, as suspected, through galaxy mergers. In contrast with what has often been speculated, however, these mergers occur at z > 1, before the merging progenitors enter the virial radius of the group and before the group is fully assembled. The simulation also shows that quenching of star formation in the still star-forming elliptical galaxies lags behind their morphological transformation, but, once started, takes less than a billion years to complete. As long envisaged the star formation quenching happens as the galaxies approach and enter the finally assembled group, due to quenching of gas accretion and (to a lesser degree) stripping. A similar sort is followed by unmerged, disk galaxies, which, as they join the group, are turned into the red-and-dead disks that abound in these environments. C1 [Feldmann, R.; Carollo, C. M.; Mayer, L.] Swiss Fed Inst Technol, Dept Phys, CH-8093 Zurich, Switzerland. [Feldmann, R.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Feldmann, R.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Mayer, L.] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. RP Feldmann, R (reprint author), Swiss Fed Inst Technol, Dept Phys, CH-8093 Zurich, Switzerland. EM feldmann@fnal.gov FU Swiss National Science Foundation FX R. F. acknowledges funding by the Swiss National Science Foundation. The simulation has been carried out at the Swiss National Computing Center (CSCS in Manno). NR 69 TC 43 Z9 43 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2011 VL 736 IS 2 AR 88 DI 10.1088/0004-637X/736/2/88 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 795MD UT WOS:000292977400013 ER PT J AU Gal-Yam, A Kasliwal, MM Arcavi, I Green, Y Yaron, O Ben-Ami, S Xu, D Sternberg, A Quimby, RM Kulkarni, SR Ofek, EO Walters, R Nugent, PE Poznanski, D Bloom, JS Cenko, SB Filippenko, AV Li, WD Silverman, JM Walker, ES Sullivan, M Maguire, K Howell, DA Mazzali, PA Frail, DA Bersier, D James, PA Akerlof, CW Yuan, F Law, N Fox, DB Gehrels, N AF Gal-Yam, Avishay Kasliwal, Mansi M. Arcavi, Iair Green, Yoav Yaron, Ofer Ben-Ami, Sagi Xu, Dong Sternberg, Assaf Quimby, Robert M. Kulkarni, Shrinivas R. Ofek, Eran O. Walters, Richard Nugent, Peter E. Poznanski, Dovi Bloom, Joshua S. Cenko, S. Bradley Filippenko, Alexei V. Li, Weidong Silverman, Jeffrey M. Walker, Emma S. Sullivan, Mark Maguire, K. Howell, D. Andrew Mazzali, Paolo A. Frail, Dale A. Bersier, David James, Phil A. Akerlof, C. W. Yuan, Fang Law, Nicholas Fox, Derek B. Gehrels, Neil TI REAL-TIME DETECTION AND RAPID MULTIWAVELENGTH FOLLOW-UP OBSERVATIONS OF A HIGHLY SUBLUMINOUS TYPE II-P SUPERNOVA FROM THE PALOMAR TRANSIENT FACTORY SURVEY SO ASTROPHYSICAL JOURNAL LA English DT Article DE supernovae: general; supernovae: individual (PTF10vdl) ID GAMMA-RAY BURSTS; SHOCK BREAKOUT; LIGHT CURVES; SN 2005CS; IA SUPERNOVAE; TELESCOPE; EVOLUTION; PHOTOMETRY; COLLAPSE; PLATEAU AB The Palomar Transient Factory (PTF) is an optical wide-field variability survey carried out using a camera with a 7.8 deg(2) field of view mounted on the 48 inch Oschin Schmidt telescope at Palomar Observatory. One of the key goals of this survey is to conduct high-cadence monitoring of the sky in order to detect optical transient sources shortly after they occur. Here, we describe the real-time capabilities of the PTF and our related rapid multiwavelength follow-up programs, extending from the radio to the. gamma-ray bands. We present as a case study observations of the optical transient PTF10vdl (SN 2010id), revealed to be a very young core-collapse (Type II-P) supernova having a remarkably low luminosity. Our results demonstrate that the PTF now provides for optical transients the real-time discovery and rapid-response follow-up capabilities previously reserved only for high-energy transients like gamma-ray bursts. C1 [Gal-Yam, Avishay; Arcavi, Iair; Green, Yoav; Yaron, Ofer; Ben-Ami, Sagi; Xu, Dong; Sternberg, Assaf] Weizmann Inst Sci, Fac Phys, Dept Particle Phys & Astrophys, IL-76100 Rehovot, Israel. [Kasliwal, Mansi M.; Quimby, Robert M.; Kulkarni, Shrinivas R.; Ofek, Eran O.; Walters, Richard] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Nugent, Peter E.; Poznanski, Dovi] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Bloom, Joshua S.; Cenko, S. Bradley; Filippenko, Alexei V.; Li, Weidong; Silverman, Jeffrey M.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Walker, Emma S.; Mazzali, Paolo A.] Scuola Normale Super Pisa, I-56126 Pisa, Italy. [Sullivan, Mark; Maguire, K.] Univ Oxford, Dept Phys Astrophys, Oxford OX1 3RH, England. [Howell, D. Andrew] Las Cumbres Observ Global Telescope Network, Goleta, CA 93117 USA. [Howell, D. Andrew] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Mazzali, Paolo A.] INAF Osservatorio Astron, I-35122 Padua, Italy. [Mazzali, Paolo A.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Frail, Dale A.] Natl Radio Astron Observ, Socorro, NM 87801 USA. [Bersier, David; James, Phil A.] Liverpool John Moores Univ, Astrophys Res Inst, Birkenhead CH41 1LD, Merseyside, England. [Akerlof, C. W.] Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. [Yuan, Fang] Australian Natl Univ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia. [Law, Nicholas] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Fox, Derek B.] Penn State Univ, Eberly Coll Sci, University Pk, PA 16802 USA. [Gehrels, Neil] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Gal-Yam, A (reprint author), Weizmann Inst Sci, Fac Phys, Dept Particle Phys & Astrophys, IL-76100 Rehovot, Israel. EM avishay.gal-yam@weizmann.ac.il RI Gehrels, Neil/D-2971-2012; Green, Yoav/L-5874-2015; OI Green, Yoav/0000-0002-0809-6575; Yuan, Fang/0000-0001-8315-4176; Sullivan, Mark/0000-0001-9053-4820; James, Philip/0000-0003-4131-5183; Gal-Yam, Avishay/0000-0002-3653-5598 FU Israeli Science Foundation (ISF); Binational Science Foundation; Weizmann-UK; Weizmann-MINERVA; EU/FP7 Marie Curie IRG Fellowship; US National Science Foundation (NSF) [AST-0908886]; TABASGO Foundation; Gary and Cynthia Bengier; Richard and Rhoda Goldman Fund; MPIA; German Israeli Science Foundation; ISF; Sun Microsystems, Inc.; Hewlett-Packard Company, AutoScope Corporation, Lick Observatory; NSF; University of California; Sylvia & Jim Katzman Foundation; U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy Scientific [DE-FG02-06ER06-04]; W. M. Keck Foundation FX The Palomar Transient Factory project is a scientific collaboration between the California Institute of Technology, Columbia University, Las Cumbres Observatory, the Lawrence Berkeley National Laboratory, the National Energy Research Scientific Computing Center, the University of Oxford, and the Weizmann Institute of Science. Weizmann Institute participation in PTF is supported in part by grants from the Israeli Science Foundation (ISF) to A.G.-Y. Joint Weizmann-Caltech activity is supported by a grant from the Binational Science Foundation to A.G.-Y. and S.R.K. Support for Weizmann-UK collaborative work is provided by a Weizmann-UK "making connections" grant to A.G.-Y. and M.S. Joint activity by A.G.-Y. and P.A.M. is supported by a Weizmann-MINERVA grant. A.G.-Y. further acknowledges support from an EU/FP7 Marie Curie IRG Fellowship. E.O.O. and D.P. are grateful to NASA for Einstein Fellowships. The work of A.V.F.'s group at UC Berkeley is funded by US National Science Foundation (NSF) grant AST-0908886, the TABASGO Foundation, Gary and Cynthia Bengier, and the Richard and Rhoda Goldman Fund.; LAIWO, a wide-angle camera operating on the 1 m telescope at the Wise Observatory, Israel, was built at the Max Planck Institute for Astronomy (MPIA) in Heidelberg, Germany, with financial support from the MPIA, grants from the German Israeli Science Foundation for Research and Development, and the ISF. KAIT and its ongoing operation were made possible by donations from Sun Microsystems, Inc., the Hewlett-Packard Company, AutoScope Corporation, Lick Observatory, the NSF, the University of California, the Sylvia & Jim Katzman Foundation, and the TABASGO Foundation. 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, provided staff, computational resources, and data storage for this project. P.E.N. acknowledges support from the U.S. Department of Energy Scientific Discovery through Advanced Computing program under contract DE-FG02-06ER06-04.; Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and NASA; the observatory was made possible by the generous financial support of the W. M. Keck Foundation. We thank the staffs of the many observatories at which data were obtained for their excellent assistance. This research has made use of the NASA/IPAC Extragalactic Database (NED), which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. NR 48 TC 38 Z9 38 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD AUG 1 PY 2011 VL 736 IS 2 AR 159 DI 10.1088/0004-637X/736/2/159 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 795MD UT WOS:000292977400084 ER PT J AU Loria, R Beckman, M Contaifer, D Tamariz, F Gibb, D Thompson, L Guida, P AF Loria, Roger Beckman, Mathew Contaifer, Daniel Tamariz, Francisco Gibb, David Thompson, Laura Guida, Peter TI Beta Androstenediol Mitigates the Damage of 1 GeV/n Fe Ion Particle Radiation to the Hematopoietic System SO CANCER BIOTHERAPY AND RADIOPHARMACEUTICALS LA English DT Article DE androstenediol; bone marrow; high LET radiation; hematopoietic; osteoclastogenesis; radioprotector ID BODY PROTON-IRRADIATION; OSTEOCLAST DIFFERENTIATION; OSTEOPROTEGERIN LIGAND; BACTERIAL-INFECTIONS; ENDOCRINE REGULATION; UP-REGULATION; KAPPA-B; ACTIVATION; MICE; DEHYDROEPIANDROSTERONE AB Space exploration is associated with exposure to 1-3 Gy solar particle radiation and galactic cosmic radiation that could increase cancer rates. Effective nontoxic countermeasures to high linear energy transfer (LET) radiation exposure are highly desirable but currently not available. The aim was to determine whether a single subcutaneous injection of androstenediol (Delta(5) androsten-3 beta, 17 beta-diol [AED]) could mitigate and restore the mouse hematopoetic system from the radiation-mediated injury of 3Gy whole-body high LET Fe-56(26+) exposure. The findings show that postradiation AED treatment has an overall positive and significant beneficial effect to restore the levels of hematopoeitic elements (p < 0.001). Androstenediol treatment significantly increased monocyte levels at days 4, 7, and 14 and, similarly, increased red blood cell, hemoglobin, and platelet counts. Flow cytometry analysis 14 days after radiation and AED treatment demonstrated an increase (p < 0.05) in bone marrow cells counts. Ex vivo osteoclastogenesis studies show that AED treatment is necessary and advantageous for the development and restoration of osteoclastogenesis after radiation exposure. These findings clearly show that androstenediol functions as a countermeasure to remedy hematopoeitic injury mediated by high LET iron ion radiation. Presently, no other agent has been shown to have such properties. C1 [Loria, Roger] Virginia Commonwealth Univ, Dept Microbiol, Richmond, VA 23284 USA. [Beckman, Mathew; Gibb, David] Virginia Commonwealth Univ, Dept Pharmacol & Toxicol, Richmond, VA USA. [Loria, Roger; Contaifer, Daniel] Virginia Commonwealth Univ, Dept Emergency Med, Richmond, VA USA. [Loria, Roger; Contaifer, Daniel; Tamariz, Francisco] Virginia Commonwealth Univ, Virginia Commonwealth Univ Reanimat Engn Shock Ct, Richmond, VA USA. [Thompson, Laura; Guida, Peter] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Loria, R (reprint author), Virginia Commonwealth Univ, Dept Microbiol, 1101 E Marshal St, Richmond, VA 23284 USA. EM loria@vcu.edu FU SCDR Cancer Research Fund; Virginia Commonwealth University Reanimation Engineering Shock Center (VCURES); NCI [P30 CA16059] FX This work was supported in part by the SCDR Cancer Research Fund to Dr. Roger M. Loria and in part by Virginia Commonwealth University Reanimation Engineering Shock Center (VCURES). Flow cytometry analysis was supported in part by NCI Grant P30 CA16059, awarded to the Massey Cancer Center. We would also like to thank Dr. Adam Rusek for beam line expertise and NASA. NR 29 TC 1 Z9 1 U1 0 U2 1 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1084-9785 EI 1557-8852 J9 CANCER BIOTHER RADIO JI Cancer Biother. Radiopharm. PD AUG PY 2011 VL 26 IS 4 BP 453 EP 459 DI 10.1089/cbr.2010.0907 PG 7 WC Oncology; Medicine, Research & Experimental; Pharmacology & Pharmacy; Radiology, Nuclear Medicine & Medical Imaging SC Oncology; Research & Experimental Medicine; Pharmacology & Pharmacy; Radiology, Nuclear Medicine & Medical Imaging GA 806DM UT WOS:000293786000006 PM 21790310 ER PT J AU Ghosh, S Lertwattanarak, R Lefort, N Molina-Carrion, M Joya-Galeana, J Bowen, BP Garduno-Garcia, JD Abdul-Ghani, M Richardson, A DeFronzo, RA Mandarino, L Van Remmen, H Musi, N AF Ghosh, Sangeeta Lertwattanarak, Raweewan Lefort, Natalie Molina-Carrion, Marjorie Joya-Galeana, Joaquin Bowen, Benjamin P. Garduno-Garcia, Jose de Jesus Abdul-Ghani, Muhammad Richardson, Arlan DeFronzo, Ralph A. Mandarino, Lawrence Van Remmen, Holly Musi, Nicolas TI Reduction in Reactive Oxygen Species Production by Mitochondria From Elderly Subjects With Normal and Impaired Glucose Tolerance SO DIABETES LA English DT Article ID HUMAN SKELETAL-MUSCLE; INSULIN-RESISTANCE; OXIDATIVE STRESS; GENE-EXPRESSION; SUPEROXIDE-DISMUTASE; DIABETIC RATS; AGE; EXERCISE; SENSITIVITY; METABOLISM AB OBJECTIVE-Aging increases the risk of developing impaired glucose tolerance (IGT) and type 2 diabetes. It has been proposed that increased reactive oxygen species (ROS) generation by dysfunctional mitochondria could play a role in the pathogenesis of these metabolic abnormalities. We examined whether aging per se (in subjects with normal glucose tolerance [NGT]) impairs mitochondrial function and how this relates to ROS generation, whether older subjects with IGT have a further worsening of mitochondrial function (lower ATP production and elevated ROS generation), and whether exercise reverses age-related changes in mitochondrial function. RESEARCH DESIGN AND METHODS-Mitochondrial ATP and ROS production were measured in muscle from younger individuals with NGT, older individuals with NGT, and older individuals with IGT. Measurements were performed before and after 16 weeks of aerobic exercise. RESULTS-ATP synthesis was lower in older subjects with NGT and older subjects with IGT versus younger subjects. Notably, mitochondria from older subjects (with NGT and IGT) displayed reduced ROS production versus the younger group. ATP and ROS production were similar between older groups. Exercise increased ATP synthesis in the three groups. Mitochondrial ROS production also increased after training. Proteomic analysis revealed downregulation of several electron transport chain proteins with aging, and this was reversed by exercise. CONCLUSIONS-Old mitochondria from subjects with NGT and IGT display mitochondrial dysfunction as manifested by reduced ATP production but not with respect to increased ROS production. When adjusted to age, the development of IGT in elderly individuals does not involve changes in mitochondrial ATP and ROS production. Lastly, exercise reverses the mitochondrial phenotype (proteome and function) of old mitochondria. Diabetes 60:2051-2060, 2011 C1 [Ghosh, Sangeeta; Lertwattanarak, Raweewan; Molina-Carrion, Marjorie; Joya-Galeana, Joaquin; Garduno-Garcia, Jose de Jesus; Abdul-Ghani, Muhammad; DeFronzo, Ralph A.; Musi, Nicolas] Univ Texas Hlth Sci Ctr San Antonio, Dept Med, Diabet Div, San Antonio, TX 78229 USA. [Lefort, Natalie; Bowen, Benjamin P.; Mandarino, Lawrence] Arizona State Univ, Ctr Metab Biol, Phoenix, AZ USA. [Bowen, Benjamin P.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Richardson, Arlan; Van Remmen, Holly] Sam & Ann Barshop Inst Longev & Aging Studies, San Antonio, TX USA. [Richardson, Arlan; Van Remmen, Holly; Musi, Nicolas] Audie L Murphy VA Hosp, Ctr Geriatr Res Educ & Clin, San Antonio, TX USA. [DeFronzo, Ralph A.; Musi, Nicolas] Texas Diabet Inst, San Antonio, TX USA. RP Musi, N (reprint author), Univ Texas Hlth Sci Ctr San Antonio, Dept Med, Diabet Div, San Antonio, TX 78229 USA. EM musi@uthscsa.edu FU Institutional National Research Service [T32-HL-04776]; National Institutes of Health (NIH) [AG-019316, DK-24092, PO1-AG-020591, DK-80157]; American Diabetes Association; U.S. Department of Veterans Affairs; San Antonio Nathan Shock Center; South Texas Health Research Center; American Federation for Aging Research [AG-030979]; National Institute on Aging FX S.G. has received an Institutional National Research Service Award (T32-HL-04776). A.R. has received a grant from the National Institutes of Health (NIH; AG-019316). R.A.D. has received grants from the American Diabetes Association, the NIH (DK-24092), and the U.S. Department of Veterans Affairs. H.V.R. has received a grant from the NIH (PO1-AG-020591). N.M. has received grants from the American Diabetes Association, the NIH (DK-80157), the San Antonio Nathan Shock Center, and the South Texas Health Research Center and was the recipient of a Paul B. Beeson Career Development Award (AG-030979) from the American Federation for Aging Research and the National Institute on Aging. No potential conflicts of interest relevant to this article were reported. NR 50 TC 51 Z9 51 U1 0 U2 19 PU AMER DIABETES ASSOC PI ALEXANDRIA PA 1701 N BEAUREGARD ST, ALEXANDRIA, VA 22311-1717 USA SN 0012-1797 J9 DIABETES JI Diabetes PD AUG PY 2011 VL 60 IS 8 BP 2051 EP 2060 DI 10.2337/db11-0121 PG 10 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 802CY UT WOS:000293488100007 PM 21677280 ER PT J AU Cadeddu, MP Turner, DD AF Cadeddu, Maria P. Turner, David D. TI Evaluation of Water Permittivity Models From Ground-Based Observations of Cold Clouds at Frequencies Between 23 and 170 GHz SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE Cloud liquid absorption models; liquid water path retrievals; microwave radiometry; water permittivity ID COMPLEX REFRACTIVE-INDEXES; LIQUID WATER; MICROWAVE RADIOMETERS; EXTINCTION SPECTRA; SUPERCOOLED WATER; VAPOR; TEMPERATURE; RETRIEVALS; PATH; PURE AB Accurate retrievals of liquid water path (LWP) from passive microwave radiometers rely on the use of radiative transfer models to describe the absorption of radiation by various atmospheric components. When clouds are present, atmospheric absorption is affected by the dielectric properties of liquid water. In this paper, we use measurements from four microwave radiometers to assess four models of the complex permittivity of water. The observations are collected at five frequencies between 23.8 and 170 GHz. The purpose of the study is to compare measurements of microwave absorption with model computations in supercooled liquid clouds that have temperatures between 0 degrees C and -30 degrees C. Models of liquid water permittivity in this temperature range suffer from a lack of laboratory measurements and are generally derived from the extrapolation of available data. An additional rationale for this work is to examine to what degree the use of different dielectric models affects the retrieval of LWP in supercooled liquid clouds. Inaccuracies in modeling the water permittivity at low temperatures are likely one of the largest sources of retrieval uncertainty in supercooled clouds, uncertainty that could offset the advantages offered by the enhanced sensitivity of channels at frequencies at and above 90 GHz relative to lower frequencies. C1 [Cadeddu, Maria P.] Argonne Natl Lab, Argonne, IL 60439 USA. [Turner, David D.] Univ Wisconsin, Madison, WI 53706 USA. RP Cadeddu, MP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mcadeddu@anl.gov; dave.turner@noaa.gov FU Office of Science, Office of Biological and Environmental Research, Climate and Environmental Sciences Division; Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357]; DOE [DE-FG02-06ER64167]; Argonne [DE-AC02-06CH11357] FX The data used in this study were collected as part of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program, which is sponsored by the Office of Science, Office of Biological and Environmental Research, Climate and Environmental Sciences Division.; This work was supported by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357 and by the Grant DE-FG02-06ER64167 from DOE as part of the ARM program.; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 38 TC 10 Z9 11 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD AUG PY 2011 VL 49 IS 8 BP 2999 EP 3008 DI 10.1109/TGRS.2011.2121074 PG 10 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 805EM UT WOS:000293709200018 ER PT J AU Shrestha, BL Wood, HC Sokhansanj, S AF Shrestha, Bijay L. Wood, Hugh C. Sokhansanj, Shahab TI Microwave Dielectric Properties of Alfalfa Leaves From 0.3 to 18 GHz SO IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT LA English DT Article DE Alfalfa; coaxial probe; dielectric properties; microwave; relaxation frequency ID PERMITTIVITY; VEGETATION AB Dielectric properties (i.e., permittivity) are essential in designing, simulating, and modeling microwave applications. The permittivity of stacked leaves of alfalfa (Medicago sativa) were measured with a network analyzer and a coaxial probe, and the effect of moisture content (MC: 12%-73% wet basis), frequency (300 MHz to 18 GHz), bound water (Cole-Cole dispersion equation), temperature (-15 degrees C and 30 degrees C), leaf-orientation, and pressure (0-11 kPa) were investigated. The measured permittivity increased with MC. A critical moisture level (CML) of 23% was reported, below which the permittivity decreased with increasing frequency at 22 degrees C. Above CML and up to 5 GHz, the dielectric constants followed the Cole-Cole dispersion, and the dielectric loss factors consisted of ionic and bound water losses. Above 5 GHz, the behavior of the dielectric constant was similar to that of free water, and the polar losses became dominant. Above 0 degrees C, the measured permittivity followed a trend similar to that of free saline water and was characterized by the Debye equation. Below 0 degrees C, it was dominated by nonfreezing bound and unfrozen supercooled moistures. The relaxation parameters and the optimum pressure (9 kPa) for the leaf measurements were determined. The effects of variations among the samples, and their orientations had negligible effects on the measured permittivity. C1 [Shrestha, Bijay L.; Wood, Hugh C.] Univ Saskatchewan, Dept Elect Engn, Saskatoon, SK S7N 5A9, Canada. [Sokhansanj, Shahab] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Shrestha, BL (reprint author), Univ Saskatchewan, Dept Elect Engn, Saskatoon, SK S7N 5A9, Canada. EM bls123@mail.usask.ca FU Oak Ridge National Laboratory; Office of Biomass Program of the U.S. Department of Energy; Natural Sciences and Engineering Research Council of Canada FX This work was supported in part by the Oak Ridge National Laboratory, by the Office of Biomass Program of the U.S. Department of Energy, and by the Natural Sciences and Engineering Research Council of Canada. The Associate Editor coordinating the review process for this paper was Dr. Samir Trabelsi. NR 13 TC 5 Z9 5 U1 1 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9456 J9 IEEE T INSTRUM MEAS JI IEEE Trans. Instrum. Meas. PD AUG PY 2011 VL 60 IS 8 BP 2926 EP 2933 DI 10.1109/TIM.2011.2121270 PG 8 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 804MT UT WOS:000293658600020 ER PT J AU Nelson, SL Shaughnessy, DA Bernstein, LA Bleuel, DL Cerjan, CJ Moody, KJ Schneider, DHG Stoeffl, W AF Nelson, Sarah L. Shaughnessy, Dawn A. Bernstein, Lee A. Bleuel, Darren L. Cerjan, Charles J. Moody, Kenton J. Schneider, Dieter H. G. Stoeffl, Wolfgang TI RAGS: The Gaseous Sample Collection Diagnostic at the National Ignition Facility SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Diagnostic; National Ignition Facility (NIF); noble gas; Radchem Apparatus for Gas Sampling (RAGS); xenon AB Radiochemical diagnostic techniques such as solid- and gas-phase capsule debris analysis may prove to be successful methods for establishing the success or failure of ignition experiments at the National Ignition Facility (NIF). Samples in the gas phase offer the most direct method of collection by simply pumping out the large target chamber following a NIF shot. The target capsules will be prepared with dopants, which will produce radioactive noble-gas isotopes upon activation with neutrons or charged particles. We have designed and constructed the Radchem Apparatus for Gas Sampling (RAGS) in order to collect postshot gaseous samples for NIF capsule diagnostics. The design of RAGS incorporates multiple stages intended to cryogenically purify, transfer, and count the radioactive decays from gaseous products synthesized in NIF experiments. An implementation timeline at NIF is discussed. C1 [Nelson, Sarah L.; Shaughnessy, Dawn A.; Bernstein, Lee A.; Bleuel, Darren L.; Cerjan, Charles J.; Moody, Kenton J.; Schneider, Dieter H. G.; Stoeffl, Wolfgang] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Nelson, SL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. FU U.S. Department of Energy [DE-AC52-07NA27344] FX This work was supported in part by the U.S. Department of Energy under Contract DE-AC52-07NA27344. These proceedings are also on record as LLNL-PROC-462002. NR 13 TC 1 Z9 1 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD AUG PY 2011 VL 39 IS 8 BP 1750 EP 1753 DI 10.1109/TPS.2011.2155673 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 805UQ UT WOS:000293754900018 ER PT J AU Huang, BC Zhang, YF Zhang, ZP Xu, ZB Dong, X AF Huang, Bing-Chu Zhang, Yi-Fei Zhang, Zi-Ping Xu, Zhang-Bu Dong, Xin TI PROJECTION OF A MEASUREMENT OF THE NONPHOTONIC ELECTRON upsilon(2) IN Au + Au COLLISIONS AT STAR SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article DE Nonphotonic; elliptic flow; PYTHIA; TOF ID COLLISIONS; FLOW AB We present a method of measuring the elliptic flow (upsilon(2)) of nonphotonic electrons from heavy flavor quark decays using the STAR detector at RHIC in Au + Au collisions at root(NN)-N-s = 200 GeV. Inclusive electrons are identified in the PT range 0.5-4 GeV/c at mid-rapidity -1 < eta < 0 by the STAR time projection chamber (TPC) and time-of-flight detector. Photonic e(+)e(-) pairs with characteristic low invariant mass are reconstructed in the TPC and their upsilon(2) is measured using the standard event plane method by subtracting the combinatorial background in the dN/d Delta phi distributions in each p(T) bin. The nonphotonic electron upsilon(2) and its propagated error can be derived from the inclusive and photonic electron upsilon(9). We estimate the necessary statistics and errors of nonphotonic electron upsilon(2) for a more recent RHIC run. C1 [Huang, Bing-Chu; Zhang, Yi-Fei; Zhang, Zi-Ping] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Xu, Zhang-Bu] Brookhaven Natl Lab, Upton, NY 11973 USA. [Dong, Xin] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Huang, BC (reprint author), Univ Sci & Technol China, Dept Modern Phys, Room 310, Hefei 230026, Anhui, Peoples R China. EM bchuang@mail.ustc.edu.cn; yfzhang3@mail.ustc.edu.cn; zpz@ustc.edu.cn; xzb@bnl.gov; xdong@lbl.gov RI Dong, Xin/G-1799-2014 OI Dong, Xin/0000-0001-9083-5906 FU National Natural Science Foundation of China [0805046, 10610286]; China PostDoctoral Science Foundation [20080430767]; CAS [KJCXZ-YW-A14]; Offices of NP and HEP within the US DOE Office of Science [DE-AC02-98CH10886]; STAR Collaboration at BNL FX The authors would like to thank Dr. Gene Van Buren for valuable suggestions. This work was supported by National Natural Science Foundation of China (Grand Nos. 0805046 and 10610286), China PostDoctoral Science Foundation (Grand No. 20080430767), Knowledge Innovation Project of CAS (KJCXZ-YW-A14), and the grant DE-AC02-98CH10886 from the Offices of NP and HEP within the US DOE Office of Science. We thank the STAR Collaboration at BNL for their support. NR 19 TC 0 Z9 0 U1 1 U2 4 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD AUG PY 2011 VL 20 IS 8 BP 1701 EP 1708 DI 10.1142/S0218301311019507 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 803RG UT WOS:000293597800004 ER PT J AU Li, K Hamilton, JH Ramayya, AV Liu, SH Zhang, XQ Brewer, NT Hwang, JK Goodin, C Zhu, SJ Luo, YX Rasmussen, JO Lee, IY Wu, SC Donangelo, R Daniel, AV Ter-Akopian, GM Oganessian, YT Unzhakova, A Cole, JD Ma, WC Stoyer, MA AF Li, K. Hamilton, J. H. Ramayya, A. V. Liu, S. H. Zhang, X. Q. Brewer, N. T. Hwang, J. K. Goodin, C. Zhu, S. J. Luo, Y. X. Rasmussen, J. O. Lee, I. Y. Wu, S. C. Donangelo, R. Daniel, A. V. Ter-Akopian, G. M. Oganessian, Yu. Ts. Unzhakova, A. Cole, J. D. Ma, W. C. Stoyer, M. A. TI IDENTIFICATION OF HIGH-SPIN STATES IN NEUTRON-RICH Kr-88,Kr-90,Kr-92 AND Se-86 SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article DE Nuclear structure; high-spin states; gamma spectroscopy; neutron-rich nuclei ID SPONTANEOUS FISSION; NUCLEI; REGION; DEFORMATION; ARRAYS; CF-252 AB Level schemes of even even neutron-rich Kr88-92 and Se-86 have been investigated by measuring triple-gamma coincidence data from the spontaneous fission of Cf-252 with the Gammasphere detector array. The level scheme of Kr-88 has been extended up to 7169 keV state. Several new excited states with new transitions have been identified in Kr-90,Kr-92 and Se-86. Spins and parities have been assigned to levels in these nuclei by following regional systematics and angular correlation measurements. The level structures of the N = 52,54, Se, Kr, and Sr isotopes are discussed. C1 [Li, K.; Hamilton, J. H.; Ramayya, A. V.; Liu, S. H.; Zhang, X. Q.; Brewer, N. T.; Hwang, J. K.; Goodin, C.; Luo, Y. X.; Daniel, A. V.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Liu, S. H.] Oak Ridge Associated Univ, UNIRIB, Oak Ridge, TN 37831 USA. [Zhu, S. J.] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Luo, Y. X.; Rasmussen, J. O.; Lee, I. Y.; Wu, S. C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Donangelo, R.] Univ Fed Rio de Janeiro, BR-68528 Rio De Janeiro, Brazil. [Daniel, A. V.; Ter-Akopian, G. M.; Oganessian, Yu. Ts.] Joint Inst Nucl Res, RU-141980 Dubna, Russia. [Unzhakova, A.] St Petersburg State Univ, St Petersburg 199034, Russia. [Cole, J. D.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Ma, W. C.] Mississippi State Univ, Dept Phys & Astron, Mississippi State, MS 39762 USA. [Stoyer, M. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Li, K (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM shaohua.liu@alumi.vanderbilt.edu RI Sistemas Complexos, Inct/J-8597-2013; Unzhakova, Anna/C-4880-2015; OI Unzhakova, Anna/0000-0002-7259-7833; Hwang, Jae-Kwang/0000-0002-4100-3473 FU U.S. Department of Energy [DE-FG05-88ER40407, W-7405-ENG48, DE-AC03-76SF00098, DE-AC07-05ID14527]; National Science Foundation of China [10575057, 10375032]; Higher Education Science Foundation [200003090] FX The work at Vanderbilt University, Lawrence Berkeley National Laboratory, Lawrence Livermore National Laboratory and Idaho National Laboratory are supported by U.S. Department of Energy under Grant No. DE-FG05-88ER40407 and Contract, Nos. W-7405-ENG48, DE-AC03-76SF00098, and DE-AC07-05ID14527, respectively. The work at Tsinghua University is supported by the National Science Foundation of China under grant Nos. 10575057, 10375032 and the Special Program of Higher Education Science Foundation under Grant No. 200003090. NR 16 TC 8 Z9 8 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD AUG PY 2011 VL 20 IS 8 BP 1825 EP 1832 DI 10.1142/S0218301311019635 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 803RG UT WOS:000293597800014 ER PT J AU Reedy, ED Boyce, BL Foulk, JW Field, RV de Boer, MP Hazra, SS AF Reedy, E. David, Jr. Boyce, Brad L. Foulk, James W., III Field, Richard V., Jr. de Boer, Maarten P. Hazra, Siddharth S. TI Predicting Fracture in Micrometer-Scale Polycrystalline Silicon MEMS Structures SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Fracture; materials testing; microelectromechanical systems; silicon; statistics ID TENSILE-STRENGTH; POLYSILICON; FILMS; TOUGHNESS AB Designing reliable MEMS structures presents numerous challenges. Polycrystalline silicon fractures in a brittle manner with considerable variability in measured strength. Furthermore, it is not clear how to use measured tensile strength data to predict the strength of a complex MEMS structure. To address such issues, two recently developed high-throughput MEMS tensile test techniques have been used to estimate strength distribution tails by testing approximately 1500 tensile bars. There is strong evidence that the micromachined polycrystalline silicon that was tested in this paper has a lower bound to its tensile strength (i.e., a strength threshold). Process-induced sidewall flaws appear to be the main source of the variability in tensile strength. Variations in as-fabricated dimensions, stress inhomogeneity within a polycrystal, and variations in the apparent fracture toughness do not appear to be dominant contributors to tensile strength variability. The existence of a strength threshold implies that there is maximum flaw size, which consequently enables a linear elastic fracture mechanics flaw-tolerance analysis. This approach was used to estimate a lower bound for the strength of a double edge-notched specimen that compared favorably with our measured values. C1 [Reedy, E. David, Jr.; Boyce, Brad L.; Foulk, James W., III; Field, Richard V., Jr.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [de Boer, Maarten P.; Hazra, Siddharth S.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. RP Reedy, ED (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM edreedy@sandia.gov; blboyce@sandia.gov; jwfoulk@sandia.gov; rvfield@sandia.gov; mpdebo@andrew.cmu.edu; shazra@andrew.cmu.edu RI Boyce, Brad/H-5045-2012; de Boer, Maarten/C-1525-2013; Field, Richard/K-6468-2013 OI Boyce, Brad/0000-0001-5994-1743; de Boer, Maarten/0000-0003-1574-9324; Field, Richard/0000-0002-2765-7032 FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. Subject Editor S. M. Spearing. NR 22 TC 10 Z9 10 U1 4 U2 19 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD AUG PY 2011 VL 20 IS 4 BP 922 EP 932 DI 10.1109/JMEMS.2011.2153824 PG 11 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 805TE UT WOS:000293751100019 ER PT J AU Hazra, SS Baker, MS Beuth, JL de Boer, MP AF Hazra, Siddharth S. Baker, Michael S. Beuth, Jack L. de Boer, Maarten P. TI Compact On-Chip Microtensile Tester With Prehensile Grip Mechanism SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE High throughput; microelectromechanical systems (MEMS); on chip; polysilicon strength; uniaxial tensile tester ID FREESTANDING GOLD-FILMS; SILICON THIN-FILMS; MEMS MATERIALS; ELASTIC-CONSTANTS; TENSILE BEHAVIOR; GRAINED FILMS; AMBIENT AIR; PART II; STRENGTH; MICROSCOPY AB Accurate measurement of material strength at small scales is of critical importance for the design and manufacture of reliable micro-and nanoscale devices. Many materials of interest, e. g., polycrystalline silicon (polysilicon) and silicon carbide, are brittle, with statistical strength distributions. Therefore, strength quantification requires a large number of tests accurately performed on a practical platform. Here, analysis and testing of a compact on-chip microtensile test system, recently presented in a brief communication [Hazra et al., Journal of Micromechanics & Microengineering, 2009], is expanded significantly. We present new data on strength, alignment precision, temperature distribution, compliance calibration, stiffness ratio, force calibration, and effect of monolayer film coverage. High force (up to 30 mN) is applied to a 70-mu m-long freestanding tensile bar (nominally of 2 mu m width and 2.25 mu m height) by cooling a thermal actuator (TA) that has gripped a crosshead via a prehensile mechanism. According to finite element analysis, specimen heating is small (<45 degrees C above ambient). The system features a relatively small area occupied on the chip (500 x 700 mu m(2)); excellent alignment resulting in in-plane and out-of-plane stress gradients of 2.2% and 1.5%, respectively, no sensitivity to residual stress or to cross-sectional shape, and high strain resolution (2.3 x 10(-4)). A compliance calibration factor, obtained from finite element analysis, is used to convert measured fracture displacement to fracture strain. The grip mechanism must be much stiffer than the tensile bar. A value of 6.1 is determined for this stiffness ratio. We show that the TA acts as a nonlinear spring that can be modeled to determine the applied force. Assuming a value of Young's modulus E = 164 GPa, we find a characteristic strength of 2.45 GPa, with a Weibull modulus of 12.04, reflecting a sample size of N = 34 polysilicon microtensile bars. [2010-0297] C1 [Hazra, Siddharth S.; Beuth, Jack L.; de Boer, Maarten P.] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA. [Baker, Michael S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hazra, SS (reprint author), Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA. EM shazra@andrew.cmu.edu RI de Boer, Maarten/C-1525-2013 OI de Boer, Maarten/0000-0003-1574-9324 FU Sandia National Laboratories; National Science Foundation [CMMI-1030682]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This research was supported by Sandia National Laboratories and by the National Science Foundation, under grant CMMI-1030682. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 53 TC 10 Z9 10 U1 2 U2 24 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD AUG PY 2011 VL 20 IS 4 BP 1043 EP 1053 DI 10.1109/JMEMS.2011.2159097 PG 11 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 805TE UT WOS:000293751100030 ER PT J AU Moore, HM Kelly, AB Jewell, SD McShane, LM Clark, DP Greenspan, R Hayes, DF Hainaut, P Kim, P Mansfield, E Potapova, O Riegman, P Rubinstein, Y Seijo, E Somiari, S Watson, P Weier, HU Zhu, C Vaught, J AF Moore, Helen M. Kelly, Andrea B. Jewell, Scott D. McShane, Lisa M. Clark, Douglas P. Greenspan, Renata Hayes, Daniel F. Hainaut, Pierre Kim, Paula Mansfield, Elizabeth Potapova, Olga Riegman, Peter Rubinstein, Yaffa Seijo, Edward Somiari, Stella Watson, Peter Weier, Heinz-Ulrich Zhu, Claire Vaught, Jim TI Biospecimen Reporting for Improved Study Quality (BRISQ) SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE biospecimen; specimen; sample; collection; processing; handling; storage; preanalytical; reporting; BRISQ ID FLIGHT-MASS-SPECTROMETRY; PATHOLOGISTS GUIDELINE RECOMMENDATIONS; APPROACHING CLINICAL PROTEOMICS; GENE-EXPRESSION PROFILES; NEEDLE-ASPIRATION BIOPSY; PARAFFIN-EMBEDDED TISSUE; HUMAN POSTMORTEM TISSUES; MICROARRAY ANALYSIS; BREAST-CANCER; HUMAN BRAIN AB Human biospecimens are subjected to a number of different collection, processing, and storage factors that can significantly alter their molecular composition and consistency. These biospecimen preanalytical factors, in turn, influence experimental outcomes and the ability to reproduce scientific results. Currently, the extent and type of information specific to the biospecimen preanalytical conditions reported in scientific publications and regulatory submissions varies widely. To improve the quality of research utilizing human tissues, it is crucial that information the handling of biospecimens be reported in a thorough, accurate, and standardized manner. The Biospecimen Reporting for Improved Study Quality (BRISQ) recommendations outlined herein are intended to apply to any study in which human biospecimens are used. The purpose of reporting these details is to supply others, from researchers to regulators, with more consistent and standardized information to better evaluate, interpret, compare, and reproduce the experimental results. The BRISQ guidelines are proposed as an important and timely resource tool to strengthen communication and publications on biospecimen-related research and help reassure patient contributors and the advocacy community that their contributions are valued and respected. Copyright (C) 2011 American Cancer Society. C1 [Moore, Helen M.; Vaught, Jim] NCI, Off Biorepositories & Biospecimen Res, Bethesda, MD 20892 USA. [McShane, Lisa M.] NCI, Biometr Res Branch, Bethesda, MD 20892 USA. [Zhu, Claire] NCI, Canc Prevent Div, Bethesda, MD 20892 USA. [Kelly, Andrea B.] Rose Li & Associates Inc, Bethesda, MD USA. [Jewell, Scott D.] Program Biospecimen Sci, Grand Rapids, MI USA. [Jewell, Scott D.] Van Andel Res Inst, Grand Rapids, MI USA. [Clark, Douglas P.] Johns Hopkins Univ Hosp, Baltimore, MD 21287 USA. [Greenspan, Renata] US Mil Canc Inst, Washington, DC USA. [Hayes, Daniel F.] Univ Michigan, Ctr Comprehens Canc, Ann Arbor, MI 48109 USA. [Hainaut, Pierre] WHO, Int Agcy Res Canc, Lyon, France. [Mansfield, Elizabeth] US FDA, Silver Spring, MD USA. [Potapova, Olga] Cureline Inc, San Francisco, CA USA. [Riegman, Peter] Erasmus MC Tissue Bank, Rotterdam, Netherlands. [Rubinstein, Yaffa] NIH, Off Rare Dis Res, Rockville, MD USA. [Seijo, Edward] Univ S Florida, Coll Med, H Lee Moffitt Canc Ctr & Res Inst, Tampa, FL 33612 USA. [Somiari, Stella] Windber Res Inst, Windber, PA USA. [Watson, Peter] British Columbia Canc Agcy, Vancouver Isl Ctr, Victoria, BC, Canada. [Weier, Heinz-Ulrich] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Vaught, J (reprint author), NCI, Off Biorepositories & Biospecimen Res, 11400 Rockville Pike,Rm 700,MSC 9160, Bethesda, MD 20892 USA. EM kellya2@mail.nih.gov RI Hainaut, Pierre /B-6018-2012 OI Hainaut, Pierre /0000-0002-1303-1610 FU National Cancer Institute, National Institutes of Health [HHSN261200800001E]; NIH [CA 136685, DE-AC02-05CH11231] FX This project has been funded in whole or in part with Federal Funds from the National Cancer Institute, National Institutes of Health, under Contract No. HHSN261200800001E. The content of this publication does not necessarily reflect the views or policies of the Department of Health and Human Services, nor does mention of trade names, commercial products, or organizations imply endorsement by the U.S. Government. This work was supported in part by NIH grant CA 136685 (HUW) carried out at the Lawrence Berkeley National Laboratory under contract DE-AC02-05CH11231. NR 85 TC 61 Z9 62 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD AUG PY 2011 VL 10 IS 8 BP 3429 EP 3438 DI 10.1021/pr200021n PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 802CW UT WOS:000293487900011 PM 21574648 ER PT J AU Yang, J Hlavacek, WS AF Yang, Jin Hlavacek, William S. TI Scaffold-mediated nucleation of protein signaling complexes: Elementary principles SO MATHEMATICAL BIOSCIENCES LA English DT Article DE Multivalent binding; Synthetic biology; Biological design principles; Ternary complex; Prozone effect; Combinatorial inhibition ID FC-EPSILON-RI; ADAPTER PROTEINS; SYNTHETIC BIOLOGY; GENE CIRCUITS; RECEPTOR; CELL; TRANSDUCTION; BINDING; DESIGN; SPECIFICITY AB Proteins with multiple binding sites play important roles in cell signaling systems by nucleating protein complexes in which, for example, enzymes and substrates are co-localized. Proteins that specialize in this function are called by a variety names, including adapter, linker and scaffold. Scaffold-mediated nucleation of protein complexes can be either constitutive or induced. Induced nucleation is commonly mediated by a docking site on a scaffold that is activated by phosphorylation. Here, by considering minimalist mathematical models, which recapitulate scaffold effects seen in more mechanistically detailed models, we obtain analytical and numerical results that provide insights into scaffold function. These results elucidate how recruitment of a pair of ligands to a scaffold depends on the concentrations of the ligands, on the binding constants for ligand-scaffold interactions, on binding cooperativity, and on the milieu of the scaffold, as ligand recruitment is affected by competitive ligands and decoy receptors. For the case of a bivalent scaffold, we obtain an expression for the unique scaffold concentration that maximally recruits a pair of monovalent ligands. Through simulations, we demonstrate that a bivalent scaffold can nucleate distinct sets of ligands to equivalent extents when the scaffold is present at different concentrations. Thus, the function of a scaffold can potentially change qualitatively with a change in copy number. We also demonstrate how a scaffold can change the catalytic efficiency of an enzyme and the sensitivity of the rate of reaction to substrate concentration. The results presented here should be useful for understanding scaffold function and for engineering scaffolds to have desired properties. (C) 2011 Elsevier Inc. All rights reserved. C1 [Hlavacek, William S.] Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. [Hlavacek, William S.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Yang, Jin] Chinese Acad Sci, Max Planck Soc Partner Inst Computat Biol, Shanghai Inst Biol Sci, Shanghai 200031, Peoples R China. [Hlavacek, William S.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. RP Hlavacek, WS (reprint author), Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. EM jinyang2004@gmail.com; wish@lanl.gov OI Hlavacek, William/0000-0003-4383-8711 FU NIH [GM076570, RR18754]; Department of Energy [DE-AC52-06NA25396]; NSFC [30870477] FX This work was supported by NIH Grants GM076570 and RR18754, Department of Energy Contract DE-AC52-06NA25396, and NSFC Grant 30870477. J.Y. thanks Dr. Zhen Wang for helpful discussion and the Center for Nonlinear Studies for support that made travel to Los Alamos possible. NR 48 TC 14 Z9 14 U1 0 U2 16 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0025-5564 J9 MATH BIOSCI JI Math. Biosci. PD AUG PY 2011 VL 232 IS 2 BP 164 EP 173 DI 10.1016/j.mbs.2011.06.003 PG 10 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 804RL UT WOS:000293671600009 PM 21683720 ER PT J AU Kim, SB Park, JH Ahn, H Liu, D Kim, DJ AF Kim, Seon-Bae Park, Jung-Hyun Ahn, Hosang Liu, Dan Kim, Dong-Joo TI Temperature effects on output power of piezoelectric vibration energy harvesters SO MICROELECTRONICS JOURNAL LA English DT Article DE Piezoelectric device; Temperature effect; MEMS; Energy harvester ID ZIRCONATE-TITANATE FILMS; DOMAIN-WALL; DEPENDENCE; DEVICE AB The performance of piezoelectric vibration energy harvesters was studied as a function of environment temperature. The devices fabricated by soft or hard PZTs were used to investigate the effect of material parameters on the thermal degradation of the devices. PZT MEMS device was also prepared and compared with the bulk devices to investigate scaling effect on the thermal degradation. All devices were heated up to 150 C in an insulating chamber. Output power was estimated by Roundy's equivalent circuit model and compared with experimental data. The output power of all devices decreased with the increase of the temperature. The output power as a function of temperature can be predicted by the change of piezoelectric coupling coefficient that is proportional to piezoelectric constant and inverse of square root of dielectric constant. Such combined influence on the output power leads to a lower thermal degradation rate of the soft PZT-based device at a lower temperature. For MEMS scale device based on PZT films, temperature dependence of the output power was reduced. This result can be attributed to decreased temperature dependence of dielectric and piezoelectric constants mainly due to constrained domain motions. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Kim, Seon-Bae; Ahn, Hosang; Liu, Dan; Kim, Dong-Joo] Auburn Univ, Mat Res & Educ Ctr, Auburn, AL 36849 USA. [Park, Jung-Hyun] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Kim, DJ (reprint author), Auburn Univ, Mat Res & Educ Ctr, 275 Wilmore Labs, Auburn, AL 36849 USA. EM dkim@eng.auburn.edu RI KIM, DONG-JOO/C-2277-2008; Liu, Dan/N-3279-2013; OI Ahn, Hosang/0000-0003-3934-1657 FU USDA FX This work was partially supported by the Auburn University Detection and Food Safety Center funded by USDA. The authors would like to thank Inostek. Inc. for providing PZT solutions to fabricate MEMS devices. NR 22 TC 13 Z9 13 U1 2 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0026-2692 J9 MICROELECTRON J JI Microelectron. J. PD AUG PY 2011 VL 42 IS 8 BP 988 EP 991 DI 10.1016/j.mejo.2011.05.005 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology SC Engineering; Science & Technology - Other Topics GA 806MZ UT WOS:000293813600003 ER PT J AU Neethirajan, S Hirose, T Wakayama, J Tsukamoto, K Kanahara, H Sugiyama, S AF Neethirajan, Suresh Hirose, Tamaki Wakayama, Junichi Tsukamoto, Kazumi Kanahara, Hiroko Sugiyama, Shigeru TI Karyotype Analysis of Buckwheat Using Atomic Force Microscopy SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE chromosomal volumes; buckwheat chromosomes; atomic force microscopy; karyotype ID PLANT CHROMOSOMES; BARLEY; CHROMATIN AB Karyotype analysis and classification of buckwheat chromosomes were performed without chemical banding or staining using atomic force microscopy (AFM). Fagopyrum esculentum (common buckwheat) and Fagopyrum tartaricum (Tartarian buckwheat) chromosomes were isolated from root tissues using an enzymatic maceration technique and spread over a glass substrate. Air-dried chromosomes had a surface with ridges, and the height of common and tartary buckwheat were approximately 350 and 150 nm. Volumes of metaphase sets of buckwheat chromosomes were calculated using three-dimensional AFM measurements. Chromosomes were morphologically characterized by the size, volume, arm lengths, and ratios. The calculated volumes of the F. esculentum and F. tartaricum chromosomes were in the ranges of 1.08-2.09 mu m(3) and 0.49-0.78 mm(3), respectively. The parameters such as the relative arm length, centromere position, and the chromosome volumes measured using AFM provide accurate karyomorphological classification by avoiding the subjective inconsistencies in banding patterns of conventional methods. The karyotype evolutionary trend indicates that F. esculentum is an ancient species compared to F. tartaricum. This is the first report of a cytological karyotype of buckwheat using AFM. C1 [Neethirajan, Suresh] Oak Ridge Natl Lab, Biol & Nanoscale Syst Grp, Biosci Div, Oak Ridge, TN 37831 USA. [Hirose, Tamaki; Wakayama, Junichi; Tsukamoto, Kazumi; Kanahara, Hiroko; Sugiyama, Shigeru] Natl Agr & Food Res Org, Nanobiotechnol Lab, Natl Food Res Inst, Tsukuba, Ibaraki 3058642, Japan. RP Neethirajan, S (reprint author), Oak Ridge Natl Lab, Biol & Nanoscale Syst Grp, Biosci Div, Oak Ridge, TN 37831 USA. EM suresh.neethirajan@gmail.com; ssugi@affrc.go.jp OI Neethirajan, Suresh/0000-0003-0990-0235 FU Japan Society for the Promotion of Science; Ministry of Agriculture, Forestry and Fisheries of Japan FX The authors gratefully acknowledge the Japan Society for the Promotion of Science for providing an Obei-Tanki Fellowship to S.N. The authors thank the Food Nanotechnology Project of the Ministry of Agriculture, Forestry and Fisheries of Japan for funding this study. NR 17 TC 2 Z9 2 U1 0 U2 9 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2011 VL 17 IS 4 BP 572 EP 577 DI 10.1017/S1431927611000481 PG 6 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 802QZ UT WOS:000293527400011 PM 21749742 ER PT J AU Hernandez-Maldonado, D Herrera, M Alonso-Gonzalez, P Gonzalez, Y Gonzalez, L Gazquez, J Varela, M Pennycook, SJ Guerrero-Lebrero, MD Pizarro, J Galindo, PL Molina, SI AF Hernandez-Maldonado, David Herrera, Miriam Alonso-Gonzalez, Pablo Gonzalez, Yolanda Gonzalez, Luisa Gazquez, Jaume Varela, Maria Pennycook, Stephen J. de la Paz Guerrero-Lebrero, Maria Pizarro, Joaquin Galindo, Pedro L. Molina, Sergio I. TI Compositional Analysis with Atomic Column Spatial Resolution by 5th-Order Aberration-Corrected Scanning Transmission Electron Microscopy SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE HAADF-STEM; 5th-order aberration-corrected electron microscopy; atomic-column resolution; chemical mapping; quantification; Muraki's segregation model ID CHEMICAL-ANALYSIS AB We show in this article that it is possible to obtain elemental compositional maps and profiles with atomic-column resolution across an In(x)Ga(1-x)As multilayer structure from 5th-order aberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) images. The compositional profiles obtained from the analysis of HAADF-STEM images describe accurately the distribution of In in the studied multilayer in good agreement with Muraki's segregation model [Muraki, K., Fukatsu, S., Shiraki, Y. & Ito, R. (1992). Surface segregation of In atoms during molecular beam epitaxy and its influence on the energy levels in InGaAs/GaAs quantums wells. Appl Phys Lett 61, 557-559]. C1 [Hernandez-Maldonado, David; Herrera, Miriam; Molina, Sergio I.] Univ Cadiz, Dept Ciencia Mat & IM & QI, Fac Ciencias, Cadiz 11510, Spain. [Alonso-Gonzalez, Pablo; Gonzalez, Yolanda; Gonzalez, Luisa] Inst Microelect Madrid CNM CSIC, Tres Cantos 28760, Madrid, Spain. [Gazquez, Jaume; Varela, Maria; Pennycook, Stephen J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [de la Paz Guerrero-Lebrero, Maria; Pizarro, Joaquin; Galindo, Pedro L.] Univ Cadiz, Dept Lenguajes & Sistemas Informat, CASEM, Cadiz 11510, Spain. RP Hernandez-Maldonado, D (reprint author), Univ Cadiz, Dept Ciencia Mat & IM & QI, Fac Ciencias, Campus Rio San Pedro S-N, Cadiz 11510, Spain. EM david.hernandez@uca.es RI Alonso Gonzalez, Pablo/B-8101-2013; Gazquez, Jaume/C-5334-2012; Varela, Maria/H-2648-2012; Gonzalez, Yolanda/C-5234-2011; Gonzalez, Luisa/E-6990-2010; Microelectronica de Madrid, Instituto de/D-5173-2013; Varela, Maria/E-2472-2014; Pizarro Junquera, Joaquin/L-5943-2014; GALINDO, PEDRO/L-6183-2014; Guerrero-Lebrero, Maria /L-7004-2014; Molina, Sergio/A-8241-2008; OI Herrera Collado, Miriam/0000-0002-2325-5941; Alonso Gonzalez, Pablo/0000-0002-4597-9326; Gazquez, Jaume/0000-0002-2561-328X; Gonzalez, Yolanda/0000-0002-7581-7328; Gonzalez, Luisa/0000-0002-8745-7673; Microelectronica de Madrid, Instituto de/0000-0003-4211-9045; Varela, Maria/0000-0002-6582-7004; Pizarro Junquera, Joaquin/0000-0002-4295-6743; GALINDO, PEDRO/0000-0003-0892-8113; Molina, Sergio/0000-0002-5221-2852; Guerrero Lebrero/0000-0002-4905-8241 FU Spanish MICINN [TEC2008-06756-C03-02]; CONSOLIDER INGENIO [2010 CSD2006-0019, CSD2009-00013]; Junta de Andalucia [TEP-120, TIC-145, P08-TEP-03516, MAT2010-15206]; CAM [S2009ESP-1503]; U.S. Department of Energy, Division of Materials Sciences and Engineering FX This work was supported by the Spanish MICINN (projects TEC2008-06756-C03-02 and CONSOLIDER INGENIO 2010 CSD2006-0019 and CSD2009-00013), the Junta de Andalucia (PAI research groups TEP-120 and TIC-145; project P08-TEP-03516 and MAT2010-15206), and CAM 2010 project S2009ESP-1503. Work at Oak Ridge National Laboratory was sponsored by the U.S. Department of Energy, Division of Materials Sciences and Engineering (M.V. and S.J.P.). NR 12 TC 9 Z9 9 U1 0 U2 26 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2011 VL 17 IS 4 BP 578 EP 581 DI 10.1017/S1431927611000213 PG 4 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 802QZ UT WOS:000293527400012 PM 21615979 ER PT J AU Joy, DC Griffin, BJ AF Joy, David C. Griffin, Brendan J. TI Is Microanalysis Possible in the Helium Ion Microscope? SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE microanalysis; ion beams; secondary electrons; Rutherford backscatter; SIMS ID MODEL AB Because the ability to perform some form of chemical microanalysis has become an essential feature for any microscope, it is necessary to investigate what options are available in the new "ORION" helium ion microscope (HIM). The HIM has the ability to visualize local variations in specimen chemistry in both the ion induced secondary electron and the Rutherford backscattered imaging modes, but this provides only limited and qualitative information. Quantitative, elementally specific, microanalysis could be performed in the HIM using secondary electron spectroscopy, Rutherford backscattered ion spectroscopy, or secondary ion mass spectroscopy, but while each of these options has promise, none of them can presently guarantee either reliable element identification or quantitative analysis across the periodic table. C1 [Joy, David C.] Univ Tennessee, Electron Microscopy Facil, Knoxville, TN 37996 USA. [Joy, David C.; Griffin, Brendan J.] Oak Ridge Natl Lab, Ctr NanoPhase Mat Sci, Oak Ridge, TN 37831 USA. [Griffin, Brendan J.] Univ Western Australia, Ctr Microscopy Characterizat & Anal M010, Crawley, WA 6009, Australia. RP Joy, DC (reprint author), Univ Tennessee, Electron Microscopy Facil, Knoxville, TN 37996 USA. EM djoy@utk.edu FU SRC FX The authors are grateful to Larry Scipioni and John Notte of ZEISS SMT for their help and suggestions; to Dale Newbury (National Institute of Standards and Technology) for discussions on SIMS; and to Harry Meyer III (Oak Ridge National Laboratory) for experimental ion induced secondary electron spectra. This work was partially supported by SRC, program manager Dan Herr. NR 14 TC 7 Z9 7 U1 0 U2 25 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD AUG PY 2011 VL 17 IS 4 BP 643 EP 649 DI 10.1017/S1431927611000596 PG 7 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 802QZ UT WOS:000293527400021 PM 21736856 ER PT J AU Ionova-Martin, SS Wade, JM Tang, S Shahnazari, M Ager, JW Lane, NE Yao, W Alliston, T Vaisse, C Ritchie, RO AF Ionova-Martin, S. S. Wade, J. M. Tang, S. Shahnazari, M. Ager, J. W., III Lane, N. E. Yao, W. Alliston, T. Vaisse, C. Ritchie, R. O. TI Changes in cortical bone response to high-fat diet from adolescence to adulthood in mice SO OSTEOPOROSIS INTERNATIONAL LA English DT Article DE Cortical bone; Diabetes; Fracture risk; Fracture toughness; Obesity ID BODY-MASS INDEX; BIOMECHANICAL PROPERTIES; MECHANICAL-PROPERTIES; INDUCED OBESITY; SUCROSE DIET; FEMORAL-NECK; SIZE; OVERWEIGHT; CHILDREN; TISSUE AB Diabetic obesity is associated with increased fracture risk in adults and adolescents. We find in both adolescent and adult mice dramatically inferior mechanical properties and structural quality of cortical bone, in agreement with the human fracture data, although some aspects of the response to obesity appear to differ by age. Introduction The association of obesity with bone is complex and varies with age. Diabetic obese adolescents and adult humans have increased fracture risk. Prior studies have shown reduced mechanical properties as a result of high-fat diet (HFD) but do not fully address size-independent mechanical properties or structural quality, which are important to understand material behavior. Methods Cortical bone from femurs and tibiae from two age groups of C57BL/6 mice fed either HFD or low-fat diet (LFD) were evaluated for structural and bone turnover changes (SEM and histomorphometry) and tested for bending strength, bending stiffness, and fracture toughness. Leptin, IGF-I, and non-enzymatic glycation measurements were also collected. Results In both young and adult mice fed on HFD, femoral strength, stiffness, and toughness are all dramatically lower than controls. Inferior lamellar and osteocyte alignment also point to reduced structural quality in both age groups. Bone size was largely unaffected by HFD, although there was a shift from increasing bone size in obese adolescents to decreasing in adults. IGF-I levels were lower in young obese mice only. Conclusions While the response to obesity of murine cortical bone mass, bone formation, and hormonal changes appear to differ by age, the bone mechanical properties for young and adult groups are similar. In agreement with human fracture trends, adult mice may be similarly susceptible to bone fracture to the young group, although cortical bone in the two age groups responds to diabetic obesity differently. C1 [Ionova-Martin, S. S.; Ritchie, R. O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Ionova-Martin, S. S.; Ager, J. W., III; Ritchie, R. O.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wade, J. M.; Vaisse, C.] Univ Calif San Francisco, Ctr Diabet, San Francisco, CA 94143 USA. [Tang, S.; Alliston, T.] Univ Calif San Francisco, Dept Orthopaed Surg, San Francisco, CA USA. [Shahnazari, M.; Lane, N. E.; Yao, W.] Calif State Univ Sacramento, Dept Internal Med, Davis Med Ctr, Sacramento, CA 95819 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Vaisse, Christian/F-1067-2011; Ritchie, Robert/A-8066-2008; OI Ritchie, Robert/0000-0002-0501-6998; Ager, Joel/0000-0001-9334-9751; Tang, Simon/0000-0002-5570-3921; Alliston, Tamara/0000-0001-9992-2897 FU U.S. Department of Energy [DE-AC02-05CH11231]; National Institutes of Health (NIH) [RO1-DE019284, RO1-60540, 68152, RO1-AR43052, AR048841, F32-059497-01]; American Heart Association [CDA 740041N, 0825215F] FX This study was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory (LBNL), funded by the U.S. Department of Energy under contract no. DE-AC02-05CH11231 (for SSIM, JWA III, ROR). Animal study work was supported by the National Institutes of Health (NIH) under grant nos. RO1-DE019284 (for TA) and RO1-60540, 68152 (for JMW, CV), as well as the American Heart Association, grant nos. CDA 740041N (for JMW, CV) and 0825215F (for JMW). Bone histomorphometry was supported by NIH grants RO1-AR43052, AR048841 (for MS, WY, NEL). AGE accumulation analysis was supported by NIH grant no. F32-059497-01 (for ST). We acknowledge the laboratories of R. Ramesh at UC Berkeley and S. Robinson at Beckman Institute (UI Urbana-Champaign, IL) where the SEM work was performed. NR 40 TC 27 Z9 27 U1 0 U2 13 PU SPRINGER LONDON LTD PI LONDON PA 236 GRAYS INN RD, 6TH FLOOR, LONDON WC1X 8HL, ENGLAND SN 0937-941X EI 1433-2965 J9 OSTEOPOROSIS INT JI Osteoporosis Int. PD AUG PY 2011 VL 22 IS 8 BP 2283 EP 2293 DI 10.1007/s00198-010-1432-x PG 11 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 804JR UT WOS:000293650600007 PM 20941479 ER PT J AU Crease, RP AF Crease, Robert P. TI Critical Point Philosophy rules SO PHYSICS WORLD LA English DT Editorial Material C1 [Crease, Robert P.] SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA. [Crease, Robert P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Crease, RP (reprint author), SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA. EM rcrease@notes.cc.sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8585 J9 PHYS WORLD JI Phys. World PD AUG PY 2011 VL 24 IS 8 BP 17 EP 17 PG 1 WC Physics, Multidisciplinary SC Physics GA 806LH UT WOS:000293808800013 ER PT J AU Masanet, ER Brown, RE Shehabi, A Koomey, JG Nordman, B AF Masanet, Eric R. Brown, Richard E. Shehabi, Arman Koomey, Jonathan G. Nordman, Bruce TI Estimating the Energy Use and Efficiency Potential of US Data Centers SO PROCEEDINGS OF THE IEEE LA English DT Article DE Data centers; energy demand modeling; energy efficiency; information technology AB Data centers are a significant and growing component of electricity demand in the United States. This paper presents a bottom-up model that can be used to estimate total data center electricity demand within a region as well as the potential electricity savings associated with energy efficiency improvements. The model is applied to estimate 2008 U.S. data center electricity demand and the technical potential for electricity savings associated with major measures for IT devices and infrastructure equipment. Results suggest that 2008 demand was approximately 69 billion kilowatt hours (1.8% of 2008 total U.S. electricity sales) and that it may be technically feasible to reduce this demand by up to 80% (to 13 billion kilowatt hours) through aggressive pursuit of energy efficiency measures. Measure-level savings estimates are provided, which shed light on the relative importance of different measures at the national level. Measures applied to servers are found to have the greatest contribution to potential savings. C1 [Masanet, Eric R.; Brown, Richard E.; Shehabi, Arman; Nordman, Bruce] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Koomey, Jonathan G.] Stanford Univ, Dept Civil & Environm Engn, Stanford, CA 94305 USA. RP Masanet, ER (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM ermasanet@lbl.gov; rebrown@lbl.gov; ashehabi@lbl.gov; jgkoomey@stanford.edu; bnordman@lbl.gov RI Masanet, Eric /I-5649-2012 FU U.S. Environmental Protection Agency, Climate Protection Partnerships Division, Office of Air and Radiation, under U.S. Department of Energy [DE-AC02-05CH11231] FX Manuscript received July 10, 2010; accepted January 28, 2011. Date of publication June 30, 2011; date of current version July 20, 2011. This work was supported by the U.S. Environmental Protection Agency, Climate Protection Partnerships Division, Office of Air and Radiation, under U.S. Department of Energy Contract DE-AC02-05CH11231. NR 27 TC 29 Z9 29 U1 1 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9219 J9 P IEEE JI Proc. IEEE PD AUG PY 2011 VL 99 IS 8 BP 1440 EP 1453 DI 10.1109/JPROC.2011.2155610 PG 14 WC Engineering, Electrical & Electronic SC Engineering GA 805BC UT WOS:000293700100007 ER PT J AU Ghafghazi, S Sowlati, T Sokhansanj, S Bi, X Melin, S AF Ghafghazi, S. Sowlati, T. Sokhansanj, S. Bi, X. Melin, S. TI Particulate matter emissions from combustion of wood in district heating applications SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Wood biomass; Particulate matter emissions; Dioxin and furan; District energy systems; Biomass combustion systems; Flue gas cleaning systems ID FLUIDIZED-BED COMBUSTION; BIOMASS COMBUSTION; PARTICLE EMISSIONS; AIR-POLLUTION; ELECTROSTATIC PRECIPITATORS; ULTRAFINE PARTICLES; HIGH-TEMPERATURE; SOLID BIOFUELS; TRACE-ELEMENTS; COCOMBUSTION AB The utilization of wood biomass to generate district heat and power in communities that have access to this energy source is increasing. In this paper the effect of wood fuel properties, combustion condition, and flue gas cleaning system on variation in the amount and formation of particles in the flue gas of typical district heating wood boilers are discussed based on the literature survey. Direct measurements of particulate matter (PM) emissions from wood boilers with district heating applications are reviewed and presented. Finally, recommendations are given regarding the selection of wood fuel, combustion system condition, and flue gas cleaning system in district heating systems in order to meet stringent air quality standards. It is concluded that utilization of high quality wood fuel, such as wood pellets produced from natural, uncontaminated stem wood, would generate the least PM emissions compared to other wood fuel types. Particulate matter emissions from grate burners equipped with electrostatic precipitators when using wood pellets can be well below stringent regulatory emission limit such as particulate emission limit of Metro Vancouver, Canada. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Ghafghazi, S.; Sowlati, T.] Univ British Columbia, Dept Wood Sci, Vancouver, BC V6T 1Z4, Canada. [Sokhansanj, S.; Bi, X.] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, S.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Melin, S.] Delta Res Corp, Delta, BC, Canada. RP Sowlati, T (reprint author), Univ British Columbia, Dept Wood Sci, 2931-2424 Main Mall, Vancouver, BC V6T 1Z4, Canada. EM taraneh.sowlati@ubc.ca OI Ghafghazi, Saeed/0000-0001-8226-6176 FU British Columbia Ministry of Forests and Range; Natural Sciences and Engineering Research Council of Canada FX This research was made possible through funds from British Columbia Ministry of Forests and Range and the Natural Sciences and Engineering Research Council of Canada. NR 79 TC 22 Z9 23 U1 3 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD AUG PY 2011 VL 15 IS 6 BP 3019 EP 3028 DI 10.1016/j.rser.2011.04.001 PG 10 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA 788AT UT WOS:000292418500046 ER PT J AU Turney, D Fthenakis, V AF Turney, Damon Fthenakis, Vasilis TI Environmental impacts from the installation and operation of large-scale solar power plants SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Solar; Environmental; Ecological; Impact; Land use; Greenhouse gases ID POST-MINING SITES; CARBON-STORAGE; SOIL CARBON; ENERGY SYSTEMS; ORGANIC-CARBON; CO2 EMISSIONS; LONG-TERM; 4 DECADES; LAND-USE; FOREST AB Large-scale solar power plants are being developed at a rapid rate, and are setting up to use thousands or millions of acres of land globally.The environmental issues related to the installation and operation phases of such facilities have not, so far, been addressed comprehensively in the literature. Here we identify and appraise 32 impacts from these phases, under the themes of land use intensity, human health and wellbeing, plant and animal life, geohydrological resources, and climate change. Our appraisals assume that electricity generated by new solar power facilities will displace electricity from traditional U.S. generation technologies. Altogether we find 22 of the considered 32 impacts to be beneficial. Of the remaining 10 impacts, 4 are neutral, and 6 require further research before they can be appraised. None of the impacts are negative relative to traditional power generation. We rank the impacts in terms of priority, and find all the high-priority impacts to be beneficial. In quantitative terms, large-scale solar power plants occupy the same or less land per kW h than coal power plant life cycles. Removal of forests to make space for solar power causes CO(2) emissions as high as 36 g CO(2) kWh(-1), which is a significant contribution to the life cycle CO(2) emissions of solar power, but is still low compared to CO(2) emissions from coal-based electricity that are about 1100 g CO(2) kWh(-1). (C) 2011 Elsevier Ltd. All rights reserved. C1 [Turney, Damon; Fthenakis, Vasilis] Brookhaven Natl Lab, Natl Photovolta Environm Res Ctr, Upton, NY 11973 USA. RP Fthenakis, V (reprint author), Brookhaven Natl Lab, Natl Photovolta Environm Res Ctr, Bldg 130,32 Lewis Rd, Upton, NY 11973 USA. EM vmf@bnl.gov FU U.S. DOE Office of Energy Efficiency and Renewable Energy [DE-AC02-76CH000016] FX The authors gratefully acknowledge support from the U.S. DOE Office of Energy Efficiency and Renewable Energy, under contract DE-AC02-76CH000016. NR 94 TC 49 Z9 50 U1 4 U2 72 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD AUG PY 2011 VL 15 IS 6 BP 3261 EP 3270 DI 10.1016/j.rser.2011.04.023 PG 10 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA 788AT UT WOS:000292418500069 ER PT J AU Veil, JA Clark, CE AF Veil, J. A. Clark, C. E. TI Produced-Water-Volume Estimates and Management Practices SO SPE PRODUCTION & OPERATIONS LA English DT Article; Proceedings Paper CT SPE International Conference on Health, Safety, and Environment in Oil and Gas Exploration and Production CY APR 12-14, 2010 CL Rio de Janeiro, BRAZIL SP SPE AB Produced water is the largest byproduct stream associated with oil and gas production. Within the United States, nearly 1 million oil or gas wells are producing hydrocarbons with various volumes of produced water. In the past, several estimates of the annual volume of produced water have been made, but none are highly accurate, nor are they current. This paper describes a study conducted by Argonne National Laboratory for the US Department of Energy (DOE) in 2009 to develop accurate estimates of produced-water volumes for 2007. The estimates were developed through contacts with regulatory-agency representatives from each of the 31 states that produce oil and gas, as well as several federal agencies that oversee onshore and offshore production on federal lands. A few states maintained detailed records of produced-water volumes, many provided estimates from underground injection records, and a few do not maintain accurate records for estimation. For those states, estimates were developed using various extrapolation methods. Where possible, the produced-water volumes are provided separately for different hydrocarbon types (i.e., crude oil, conventional gas, coalbed methane, tight-shale gas). This allows calculations of water/hydrocarbon ratios for different states and different hydrocarbon types. In addition to providing a recent accurate volume estimate, the paper discusses the ways in which the produced water is managed in the different states and in the US offshore. While much of the onshore produced water is reinjected for enhanced recovery or disposal and much of the offshore produced water is discharged to the ocean, various other methods are used also. The Argonne study and this paper provide the most-complete and -recent picture of produced-water management in the United States. C1 [Veil, J. A.] Argonne Natl Lab, Water Policy Program, Washington, DC 20024 USA. [Clark, C. E.] Argonne Natl Lab, Div Environm Sci, Washington, DC USA. RP Veil, JA (reprint author), Argonne Natl Lab, Water Policy Program, Washington, DC 20024 USA. NR 9 TC 11 Z9 11 U1 0 U2 34 PU SOC PETROLEUM ENG PI RICHARDSON PA 222 PALISADES CREEK DR,, RICHARDSON, TX 75080 USA SN 1930-1855 J9 SPE PROD OPER JI SPE Prod. Oper. PD AUG PY 2011 VL 26 IS 3 BP 234 EP 239 PG 6 WC Engineering, Petroleum SC Engineering GA 805JL UT WOS:000293722600003 ER PT J AU Bowker, RH Smith, MC Pease, ML Slenkamp, KM Kovarik, L Bussell, ME AF Bowker, Richard H. Smith, Mica C. Pease, Melissa L. Slenkamp, Karla M. Kovarik, Libor Bussell, Mark E. TI Synthesis and Hydrodeoxygenation Properties of Ruthenium Phosphide Catalysts SO ACS CATALYSIS LA English DT Article DE hydrodeoxygenation; HDO; furan; ruthenium; ruthenium phosphide ID METAL; ACETONE; OIL; PRECURSORS; PYROLYSIS; NITRIDES; GUAIACOL; SULFIDE; RU(001); SILICA AB Ru2P/SiO2 and RuP/SiO2 catalysts were prepared by the temperature-programmed reduction (TPR) of uncalcined precursors containing hypophosphite ion (H2PO2-) as the phosphorus source. The Ru2P/SiO2 and RuP/SiO2 catalysts had small average particle sizes (similar to 4 nm) and high CO chemisorption capacities (90-110 mu mol/g). The Ru phosphide catalysts exhibited similar or higher furan (C4H4O) hydrodeoxygenation (HDO) activities than did a Ru/SiO2 catalyst, and the phosphide catalysts favored C-4 hydrocarbon products while the Ru metal catalyst produced primarily C-3 hydrocarbons. C1 [Bowker, Richard H.; Smith, Mica C.; Pease, Melissa L.; Slenkamp, Karla M.; Bussell, Mark E.] Western Washington Univ, Dept Chem, Bellingham, WA 98225 USA. [Bowker, Richard H.; Smith, Mica C.; Pease, Melissa L.; Slenkamp, Karla M.; Bussell, Mark E.] Western Washington Univ, Adv Mat Sci & Engn Ctr, Bellingham, WA 98225 USA. [Kovarik, Libor] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Bussell, ME (reprint author), Western Washington Univ, Dept Chem, 516 High St,MS-9150, Bellingham, WA 98225 USA. EM Mark.Bussell@wwu.edu RI Kovarik, Libor/L-7139-2016; OI Kovarik, Libor/0000-0002-2418-6925 FU National Science Foundation [CHE-0809433]; DOE [DE-AC06-76RLO 1830] FX This research was supported by the National Science Foundation under grant number CHE-0809433.; The TEM imaging was performed at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a DOE User Facility operated by Battelle for the DOE Office of Biological and Environmental Research. Pacific Northwest National Laboratory is operated for the DOE under contract DE-AC06-76RLO 1830. We acknowledge ConocoPhillips (Femdale Refinery) for providing access to the LECO SC-144DR sulfur and carbon analyzer. NR 39 TC 33 Z9 35 U1 13 U2 88 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 AUG PY 2011 VL 1 IS 8 BP 917 EP 922 DI 10.1021/cs200238v PG 6 WC Chemistry, Physical SC Chemistry GA 802DA UT WOS:000293488300011 ER PT J AU Shi, L Belchik, SM Plymale, AE Heald, S Dohnalkova, AC Sybirna, K Bottin, H Squier, TC Zachara, JM Fredrickson, JK AF Shi, Liang Belchik, Sara M. Plymale, Andrew E. Heald, Steve Dohnalkova, Alice C. Sybirna, Kateryna Bottin, Herve Squier, Thomas C. Zachara, John M. Fredrickson, James K. TI Purification and Characterization of the [NiFe]-Hydrogenase of Shewanella oneidensis MR-1 SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID MEMBRANE CYTOCHROMES MTRC; C-TYPE CYTOCHROMES; PUTREFACIENS MR-1; REDUCING BACTERIUM; ELECTRON-TRANSFER; ESCHERICHIA-COLI; REDUCTION; OMCA; HYDROGENASE; CR(VI) AB Shewanella oneidensis MR-1 possesses a periplasmic [NiFe]-hydrogenase (MR-1 [NiFe]-H(2)ase) that has been implicated in H(2) production and oxidation as well as technetium [Tc(VII)] reduction. To characterize the roles of MR-1 [NiFe]-H(2)ase in these proposed reactions, the genes encoding both subunits of MR-1 [NiFe]-H(2)ase were cloned and then expressed in an MR-1 mutant without hyaB and hydA genes. Expression of recombinant MR-1 [NiFe]-H(2)ase in trans restored the mutant's ability to produce H(2) at 37% of that for the wild type. Following purification, MR-1 [NiFe]-H(2)ase coupled H(2) oxidation to reduction of Tc(VII)O(4)(-) and methyl viologen. Change of the buffers used affected MR-1 [NiFe]-H(2)ase-mediated reduction of Tc(VII)O(4)(-) but not methyl viologen. Under the conditions tested, all Tc(VII)O(4)(-) used was reduced in Tris buffer, while in HEPES buffer, only 20% of Tc(VII)O(4)(-) was reduced. The reduced products were soluble in Tris buffer but insoluble in HEPES buffer. Transmission electron microscopy analysis revealed that Tc precipitates reduced in HEPES buffer were aggregates of crystallites with diameters of similar to 5 nm. Measurements with X-ray absorption near-edge spectroscopy revealed that the reduction products were a mixture of Tc(IV) and Tc(V) in Tris buffer but only Tc(IV) in HEPES buffer. Measurements with extended X-ray adsorption fine structure showed that while the Tc bonding environment in Tris buffer could not be determined, the Tc(IV) product in HEPES buffer was very similar to Tc(IV)O(2)center dot nH(2)O, which was also the product of Tc(VII)O(4)(-) reduction by MR-1 cells. These results shows for the first time that MR-1 [NiFe]-H2ase catalyzes Tc(VII)O(4)(-) reduction directly by coupling to H(2) oxidation. C1 [Shi, Liang; Belchik, Sara M.; Plymale, Andrew E.; Dohnalkova, Alice C.; Squier, Thomas C.; Zachara, John M.; Fredrickson, James K.] Pacific NW Natl Lab, Microbiol Grp, Richland, WA 99352 USA. [Heald, Steve] Argonne Natl Lab, Argonne, IL 60439 USA. [Sybirna, Kateryna; Bottin, Herve] CEA, DSV, IBiTec S, LPB,URA CNRS 2096,SB2SM, F-91191 Gif Sur Yvette, France. RP Shi, L (reprint author), Pacific NW Natl Lab, Microbiol Grp, 902 Battelle Blvd,MSIN J4-18, Richland, WA 99352 USA. EM liang.shi@pnnl.gov FU Office of Biological and Environmental Research (BER); Office of Basic Energy Science (BES), U.S. Department of Energy (DOE); DOE-BER and located at Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RLO 1830]; DOE-BES [DE-AC02-06CH11357] FX This research was supported by the Subsurface Biogeochemical Research program (SBR)/Office of Biological and Environmental Research (BER) and Physical Bioscience program/Office of Basic Energy Science (BES), U.S. Department of Energy (DOE). A portion of the research was performed using EMSL, a national scientific user facility sponsored by the DOE-BER and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the DOE by Battelle under contract DE-AC05-76RLO 1830. Use of the Advanced Photon Source is supported by the DOE-BES under contract DE-AC02-06CH11357. NR 43 TC 8 Z9 8 U1 2 U2 32 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2011 VL 77 IS 16 BP 5584 EP 5590 DI 10.1128/AEM.00260-11 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 802IX UT WOS:000293504400003 PM 21724888 ER PT J AU Gladden, JM Allgaier, M Miller, CS Hazen, TC VanderGheynst, JS Hugenholtz, P Simmons, BA Singer, SW AF Gladden, John M. Allgaier, Martin Miller, Christopher S. Hazen, Terry C. VanderGheynst, Jean S. Hugenholtz, Philip Simmons, Blake A. Singer, Steven W. TI Glycoside Hydrolase Activities of Thermophilic Bacterial Consortia Adapted to Switchgrass SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID IONIC LIQUID PRETREATMENT; SP-NOV.; 1-N-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE; SPHAEROBACTER-THERMOPHILUS; GENOME SEQUENCE; GEN. NOV.; SACCHARIFICATION; THERMOMICROBIUM; BIOTECHNOLOGY; DISCOVERY AB Industrial-scale biofuel production requires robust enzymatic cocktails to produce fermentable sugars from lignocellulosic biomass. Thermophilic bacterial consortia are a potential source of cellulases and hemicellulases adapted to harsher reaction conditions than commercial fungal enzymes. Compost-derived microbial consortia were adapted to switchgrass at 60 degrees C to develop thermophilic biomass-degrading consortia for detailed studies. Microbial community analysis using small-subunit rRNA gene amplicon pyrosequencing and short-read metagenomic sequencing demonstrated that thermophilic adaptation to switchgrass resulted in low-diversity bacterial consortia with a high abundance of bacteria related to thermophilic paenibacilli, Rhodothermus marinus, and Thermus thermophilus. At lower abundance, thermophilic Chloroflexi and an uncultivated lineage of the Gemmatimonadetes phylum were observed. Supernatants isolated from these consortia had high levels of xylanase and endoglucanase activities. Compared to commercial enzyme preparations, the endoglucanase enzymes had a higher thermotolerance and were more stable in the presence of 1-ethyl-3-methylimidazolium acetate ([C2mim][OAc]), an ionic liquid used for biomass pretreatment. The supernatants were used to saccharify [C2mim][OAc]-pretreated switchgrass at elevated temperatures (up to 80 degrees C), demonstrating that these consortia are an excellent source of enzymes for the development of enzymatic cocktails tailored to more extreme reaction conditions. C1 [Singer, Steven W.] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. [Gladden, John M.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [Allgaier, Martin; Hugenholtz, Philip] Joint Genome Inst, Walnut Creek, CA 95598 USA. [Miller, Christopher S.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Hazen, Terry C.; Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [VanderGheynst, Jean S.] Univ Calif Davis, Dept Biol & Agr Engn, Davis, CA 95616 USA. [Simmons, Blake A.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA 94551 USA. RP Singer, SW (reprint author), Joint BioEnergy Inst, Deconstruct Div, 5885 Hollis St, Emeryville, CA 94608 USA. EM SWSinger@lbl.gov RI Hugenholtz, Philip/G-9608-2011; Hazen, Terry/C-1076-2012; OI Hazen, Terry/0000-0002-2536-9993; Miller, Christopher/0000-0002-9448-8144; Simmons, Blake/0000-0002-1332-1810 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231, DE-SC0004665]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was performed as part of the DOE Joint BioEnergy Institute (http://www.jbei.org), which is 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. Portions of this work were also supported by the Genome Sciences Program in Carbon Cycling (contract number DE-SC0004665) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research. Pyrotag and metagenomic sequencing were conducted by the Joint Genome Institute, which is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 37 TC 46 Z9 48 U1 4 U2 38 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2011 VL 77 IS 16 BP 5804 EP 5812 DI 10.1128/AEM.00032-11 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 802IX UT WOS:000293504400029 PM 21724886 ER PT J AU Ha, SJ Wei, QS Kim, SR Galazka, JM Cate, J Jin, YS AF Ha, Suk-Jin Wei, Qiaosi Kim, Soo Rin Galazka, Jonathan M. Cate, Jamie Jin, Yong-Su TI Cofermentation of Cellobiose and Galactose by an Engineered Saccharomyces cerevisiae Strain SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID YEAST; FERMENTATION; EXPRESSION; NETWORK; MIG1 AB We demonstrate improved ethanol yield and productivity through cofermentation of cellobiose and galactose by an engineered Saccharomyces cerevisiae strain expressing genes coding for cellodextrin transporter (cdt-1) and intracellular beta-glucosidase (gh1-1) from Neurospora crassa. Simultaneous fermentation of cellobiose and galactose can be applied to producing biofuels from hydrolysates of marine plant biomass. C1 [Ha, Suk-Jin; Wei, Qiaosi; Kim, Soo Rin; Jin, Yong-Su] Univ Illinois, Dept Food Sci & Human Nutr, Urbana, IL 61801 USA. [Ha, Suk-Jin; Wei, Qiaosi; Kim, Soo Rin; Jin, Yong-Su] Univ Illinois, Inst Genom Biol, Urbana, IL 61801 USA. [Galazka, Jonathan M.; Cate, Jamie] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Cate, Jamie] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Jin, YS (reprint author), Univ Illinois, 1206 W Gregory Dr, Urbana, IL 61802 USA. EM ysjin@illinois.edu RI Galazka, Jonathan Galazka/K-4847-2012; Jin, Yong-Su/L-4530-2013; OI Galazka, Jonathan Galazka/0000-0002-4153-0249; Kim, Soo Rin/0000-0001-5855-643X FU Energy Biosciences Institute FX This work was supported by funding from Energy Biosciences Institute to Yong-Su Jin. NR 14 TC 31 Z9 34 U1 0 U2 7 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2011 VL 77 IS 16 BP 5822 EP 5825 DI 10.1128/AEM.05228-11 PG 4 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 802IX UT WOS:000293504400032 PM 21705527 ER PT J AU Lynch, SK Pai, V Auxier, J Stein, AF Bennett, EE Kemble, CK Xiao, XH Lee, WK Morgan, NY Wen, HH AF Lynch, Susanna K. Pai, Vinay Auxier, Julie Stein, Ashley F. Bennett, Eric E. Kemble, Camille K. Xiao, Xianghui Lee, Wah-Keat Morgan, Nicole Y. Wen, Han Harold TI Interpretation of dark-field contrast and particle-size selectivity in grating interferometers SO APPLIED OPTICS LA English DT Article ID X-RAY-SCATTERING; PHASE-CONTRAST; SHEARING INTERFEROMETER; TALBOT INTERFEROMETRY; RADIOGRAPHY AB In grating-based x-ray phase sensitive imaging, dark-field contrast refers to the extinction of the interference fringes due to small-angle scattering. For configurations where the sample is placed before the beamsplitter grating, the dark-field contrast has been quantified with theoretical wave propagation models. Yet when the grating is placed before the sample, the dark-field contrast has only been modeled in the geometric optics regime. Here we attempt to quantify the dark-field effect in the grating-before-sample geometry with first-principle wave calculations and understand the associated particle-size selectivity. We obtain an expression for the dark-field effect in terms of the sample material's complex refractive index, which can be verified experimentally without fitting parameters. A dark-field computed tomography experiment shows that the particle-size selectivity can be used to differentiate materials of identical x-ray absorption. C1 [Lynch, Susanna K.; Pai, Vinay; Bennett, Eric E.; Kemble, Camille K.; Morgan, Nicole Y.; Wen, Han Harold] NHLBI, Lab Imaging Phys, Translat Med Branch, NIH, Bethesda, MD 20892 USA. [Auxier, Julie] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. [Stein, Ashley F.] Harvard Univ, Sch Med, Boston, MA 02115 USA. [Xiao, Xianghui; Lee, Wah-Keat] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Wen, HH (reprint author), NHLBI, Lab Imaging Phys, Translat Med Branch, NIH, Bldg 10, Bethesda, MD 20892 USA. EM wenh@nhlbi.nih.gov RI Bennett, Eric/A-2551-2013; Wen, Han/G-3081-2010 OI Wen, Han/0000-0001-6844-2997 FU Intramural NIH HHS [ZIA HL004606-15] NR 25 TC 54 Z9 54 U1 2 U2 24 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD AUG 1 PY 2011 VL 50 IS 22 BP 4310 EP 4319 DI 10.1364/AO.50.004310 PG 10 WC Optics SC Optics GA 800CE UT WOS:000293335300015 PM 21833104 ER PT J AU Homoelle, D Bowers, MW Budge, T Haynam, C Heebner, J Hermann, M Jancaitis, K Jarboe, J LaFortune, K Salmon, JT Schindler, T Shaw, M AF Homoelle, Doug Bowers, Mark W. Budge, Tracy Haynam, Chris Heebner, John Hermann, Mark Jancaitis, Ken Jarboe, Jeff LaFortune, Kai Salmon, Joseph Thaddeus Schindler, Tania Shaw, Mike TI Measurement of the repeatability of the prompt flashlamp-induced wavefront aberration on beamlines at the National Ignition Facility SO APPLIED OPTICS LA English DT Article ID SENSOR; ACCURACY; DETECTOR AB We have undertaken a measurement campaign to determine the repeatability of the prompt flashlamp-induced wavefront aberration on beamlines at the National Ignition Facility (NIF) and determine the extent to which shot-to-shot variations in this aberration may degrade the performance of a proposed adaptive optics system for the short-pulse Advanced Radiographic Capability beamline on NIF. In this paper we will describe the unique NIF configuration that was required to make this measurement, present the results of the experiment, and discuss the implications of these results for the adaptive optics system design. C1 [Homoelle, Doug; Bowers, Mark W.; Budge, Tracy; Haynam, Chris; Heebner, John; Hermann, Mark; Jancaitis, Ken; Jarboe, Jeff; LaFortune, Kai; Salmon, Joseph Thaddeus; Schindler, Tania; Shaw, Mike] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Homoelle, D (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM homoelle1@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 DE-AC52-07NA27344. NR 18 TC 4 Z9 6 U1 3 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD AUG 1 PY 2011 VL 50 IS 22 BP 4382 EP 4388 DI 10.1364/AO.50.004382 PG 7 WC Optics SC Optics GA 800CE UT WOS:000293335300025 PM 21833114 ER PT J AU Cross, DA Carr, CW AF Cross, David A. Carr, Christopher W. TI Analysis of 1 omega. bulk laser damage in KDP SO APPLIED OPTICS LA English DT Article ID POTASSIUM DIHYDROGEN PHOSPHATE; IRRADIATION; BREAKDOWN; CRYSTALS AB The influence of laser parameters on laser-induced damage in the bulk of KDP is difficult to determine because the damage manifests as discrete sites a few micrometers in diameter distributed throughout a relatively large volume of material. Here, we present a method to directly measure the size and location of many thousands of such sites and correlate them to the laser conditions that produced them. This technique is used to characterize the effects of pulse duration on damage initiated by 1053 nm light in the bulk of KDP crystals. We find that the density of damage sites produced by 1053 nm light is less sensitive to pulse duration than was previously reported for 526 nm and 351 nm light. In addition, the effect of pulse duration on the size of the damage sites produced appears insensitive to wavelength. (C) 2011 Optical Society of America C1 [Cross, David A.; Carr, Christopher W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Cross, DA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,Mail Stop L-592, Livermore, CA 94550 USA. EM cross22@llnl.gov RI Carr, Chris/F-7163-2013 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 DE-AC52-07NA27344. NR 20 TC 10 Z9 11 U1 0 U2 13 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD AUG 1 PY 2011 VL 50 IS 22 BP D7 EP D11 DI 10.1364/AO.50.0000D7 PG 5 WC Optics SC Optics GA 800CE UT WOS:000293335300002 PM 21833093 ER PT J AU Negres, RA Liao, ZM Abdulla, GM Cross, DA Norton, MA Carr, CW AF Negres, Raluca A. Liao, Zhi M. Abdulla, Ghaleb M. Cross, David A. Norton, Mary A. Carr, Christopher W. TI Exploration of the multiparameter space of nanosecond-laser damage growth in fused silica optics SO APPLIED OPTICS LA English DT Article ID INITIATED DAMAGE; 351 NM; MICROSCOPY; IRRADIATION; COMPONENTS; BREAKDOWN; SURFACES; UV AB Historically, the rate at which laser-induced damage sites grow on the exit surface of SiO2 optics under subsequent illumination with nanosecond-laser pulses of any wavelength was believed to depend solely on laser fluence. We demonstrate here that much of the scatter in previous growth observations was due to additional parameters that were not previously known to affect growth rate, namely the temporal pulse shape and the size of a site. Furthermore, the remaining variability observed in the rate at which sites grow is well described in terms of Weibull statistics. The effects of site size and laser fluence may both be expressed orthogonally in terms of Weibull coefficients. In addition, we employ a clustering algorithm to explore the multiparameter growth space and expose average growth trends. Conversely, this analysis approach also identifies sites likely to exhibit growth rates outside the norm. The ability to identify which sites are likely to grow abnormally fast in advance of the manifestation of such behavior will significantly enhance the accuracy of predictive models over those based on average growth behaviors. (C) 2011 Optical Society of America C1 [Negres, Raluca A.; Liao, Zhi M.; Abdulla, Ghaleb M.; Cross, David A.; Norton, Mary A.; Carr, Christopher W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Negres, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM negres2@llnl.gov RI Carr, Chris/F-7163-2013; Liao, Zhi/G-3729-2013 FU United States Department of Energy (DOE) by Lawrence Livermore National Laboratory [AC52-07NA27344] FX We thank K. R. Manes for useful discussions and W. A. Steele, J. J. Adams, M. Bolourchi, G. M. Guss, and the OSL team for assistance in sample preparation and execution of the experiments. This work was performed under the auspices of the United States Department of Energy (DOE) by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 47 TC 15 Z9 15 U1 0 U2 13 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD AUG 1 PY 2011 VL 50 IS 22 BP D12 EP D20 DI 10.1364/AO.50.000D12 PG 9 WC Optics SC Optics GA 800CE UT WOS:000293335300003 PM 21833091 ER PT J AU Nikolaev, S AF Nikolaev, Sergei TI Optical modeling in Testbed Environment for Space Situational Awareness (TESSA) SO APPLIED OPTICS LA English DT Article ID CATALOG; DEEP AB We describe optical systems modeling in the Testbed Environment for Space Situational Awareness (TESSA) simulator. We begin by presenting a brief outline of the overall TESSA architecture and focus on components for modeling optical sensors. Both image generation and image processing stages are described in detail, highlighting the differences in modeling ground- and space-based sensors. We conclude by outlining the applicability domains for the TESSA simulator, including potential real-life scenarios. (C) 2011 Optical Society of America C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Nikolaev, S (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM nikolaev2@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 DE-AC52-07NA27344. NR 13 TC 0 Z9 0 U1 0 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD AUG 1 PY 2011 VL 50 IS 22 BP D21 EP D26 DI 10.1364/AO.50.000D21 PG 6 WC Optics SC Optics GA 800CE UT WOS:000293335300004 PM 21833092 ER PT J AU Simms, LM AF Simms, Lance M. TI Autonomous subpixel satellite track end point determination for space-based images SO APPLIED OPTICS LA English DT Article AB An algorithm for determining satellite track end points with subpixel resolution in spaced-based images is presented. The algorithm allows for significant curvature in the imaged track due to rotation of the spacecraft capturing the image. The motivation behind the subpixel end point determination is first presented, followed by a description of the methodology used. Results from running the algorithm on real ground-based and simulated spaced-based images are shown to highlight its effectiveness. (C) 2011 Optical Society of America C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Simms, LM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM simms8@llnl.gov NR 7 TC 2 Z9 2 U1 0 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD AUG 1 PY 2011 VL 50 IS 22 BP D1 EP D6 DI 10.1364/AO.50.0000D1 PG 6 WC Optics SC Optics GA 800CE UT WOS:000293335300001 PM 21833090 ER PT J AU Abdulla, G Awwal, A Borne, K Ho, TK Vestrand, WT AF Abdulla, Ghaleb Awwal, Abdul Borne, Kirk Ho, Tin Kam Vestrand, W. Thomas TI Practical data mining and machine learning for optics applications: introduction to the feature issue SO APPLIED OPTICS LA English DT Editorial Material AB Data mining algorithms utilize search techniques to explore hidden patterns and correlations in the data, which otherwise require a tremendous amount of human time to explore. This feature issue explores the use of such techniques to help understand the data, build better simulators, explain outlier behavior, and build better predictive models. We hope that this issue will spur discussions and expose a set of tools that can be useful to the optics community. (C) 2011 Optical Society of America C1 [Abdulla, Ghaleb; Awwal, Abdul] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Borne, Kirk] George Mason Univ, Fairfax, VA 22030 USA. [Ho, Tin Kam] Alcatel Lucent Bell Labs, Murray Hill, NJ 07974 USA. [Vestrand, W. Thomas] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Abdulla, G (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, L-560, Livermore, CA 94550 USA. EM abdulla1@llnl.gov NR 0 TC 0 Z9 0 U1 3 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD AUG 1 PY 2011 VL 50 IS 22 BP PDM1 EP PDM2 DI 10.1364/AO.50.00PDM1 PG 2 WC Optics SC Optics GA 800CE UT WOS:000293335300005 PM 21833094 ER PT J AU Bao, XY Sandvol, E Zor, E Sakin, S Mohamad, R Gok, R Mellors, R Godoladze, T Yetirmishli, G Turkelli, N AF Bao, Xueyang Sandvol, Eric Zor, Ekrem Sakin, Sakir Mohamad, Randa Goek, Rengin Mellors, Robert Godoladze, Tea Yetirmishli, Gurban Turkelli, Niyazi TI Pg Attenuation Tomography within the Northern Middle East SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA Rumanian DT Article ID SEISMIC-WAVE PROPAGATION; SURROUNDING REGIONS; SOUTHERN-CALIFORNIA; LATERAL VARIATIONS; CRUSTAL PHASES; ARABIAN PLATE; SHEAR-WAVES; LG CODA; TURKEY; VELOCITY AB A seismic attenuation map of regional phase Pg is constructed for the northern Middle East using two-station frequency-dependent Q measurements and seismic attenuation tomography. Pg is widely used in source discrimination, but its attenuation behavior is not well understood. We investigate the functional form of the geometrical spreading of Pg for both uniform and more complex seismic velocity structures. We find that there is significant trade-off between attenuation and geometrical spreading of Pg, and we quantify this trade-off to interpret the observed Pg attenuation in the Middle East. The northern Middle East attenuation tomographic images show significant lateral Q(Pg) variations, which may be caused by lateral variations of crustal rheology if intrinsic attenuation dominates the seismic attenuation mechanism of this region. We observe very large variations in the Q(Pg) model, such as low Q(Pg) within the Anatolian plate and high Q(Pg) within much of the stable Arabian plate. The low Q(Pg) anomalies generally coincide with active fault systems or Quaternary volcanisms. In order to perform a systematic comparison with Lg propagation, we have also updated the Q(Lg) map of Zor et al. (2007). These two new maps provide estimates for crustal Q(alpha) (Pg) and Q(beta)(Lg) for the northern Middle East. C1 [Bao, Xueyang; Sandvol, Eric] Univ Missouri, Dept Geol Sci, Columbia, MO 65211 USA. [Sakin, Sakir] Suleyman Demirel Univ, TR-32200 Isparta, Turkey. [Mohamad, Randa] Syrian Natl Seismol Ctr, Gen Estab Geol & Mineral Resources, Damascus, Syria. [Goek, Rengin; Mellors, Robert] Lawrence Livermore Natl Lab, Livermore, CA USA. [Yetirmishli, Gurban] Azerbaijan Natl Acad Sci, Republican Seism Survey Ctr, Baku, Azerbaijan. [Turkelli, Niyazi] Bogazici Univ, Dept Geophys, Kandilli Observ, Istanbul, Turkey. [Turkelli, Niyazi] Bogazici Univ, Earthquake Res Inst, Istanbul, Turkey. RP Bao, XY (reprint author), Univ Missouri, Dept Geol Sci, 101 Geol Bldg, Columbia, MO 65211 USA. RI GEOFON, GlobalSeismicNetwork/E-4273-2012; Mellors, Robert/K-7479-2014; Gok, Rengin/O-6639-2014; Yetirmishli, Gurban/C-4257-2017 OI Mellors, Robert/0000-0002-2723-5163; Yetirmishli, Gurban/0000-0002-0542-2443 FU Department of Energy [DEFC52-903NA99518]; Department of Defense [DESC52-06NA27305] FX We are very grateful to William Scott Phillips and Jiakang (Jack) Xie for their unselfish help in the revision of the manuscript. The research in this study was supported by the Department of Energy under Grant DEFC52-903NA99518 and the Department of Defense under Grant DESC52-06NA27305. NR 56 TC 4 Z9 4 U1 2 U2 9 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2011 VL 101 IS 4 BP 1496 EP 1506 DI 10.1785/0120100316 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 800DH UT WOS:000293339400004 ER PT J AU Pasyanos, ME AF Pasyanos, Michael E. TI A Case for the Use of 3D Attenuation Models in Ground-Motion and Seismic-Hazard Assessment SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID CONTINENTAL UNITED-STATES; EASTERN NORTH-AMERICA; AVERAGE HORIZONTAL COMPONENT; RESPONSE SPECTRA; LG ATTENUATION; PREDICTION EQUATIONS; CRUSTAL STRUCTURE; EARTHQUAKE; PERIODS; MANTLE AB Attenuation relationships that are used to characterize estimated ground motion often ignore details of the Earth's highly variable 3D velocity and attenuation structure. Increasingly available attenuation models can be used to refine the expected ground motions. First, some tests are performed to look at the effect of the variability in several parameters, such as crustal attenuation, upper mantle attenuation, and crustal thickness. A concrete example is then provided using the results of a recent crust and upper mantle attenuation model of the Middle East. Variations in 1 Hz spectral accelerations of 30%-40% are found simply from the same event recorded in different directions. Because overall regional variability is expected to be even higher, this effect seems significant enough to be accounted for in strong ground-motion estimates and seismic-hazard assessment. This has the potential to account for some of the smaller scale amplitude variations not considered using broadly applied 1D attenuation relationships. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Pasyanos, ME (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-046,POB 808, Livermore, CA 94551 USA. EM pasyanos1@llnl.gov RI Pasyanos, Michael/C-3125-2013 FU U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX I thank reviewer Rasool Anooshehpoor and associate editor Arben Pitarka. This work was prepared under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under contract DE-AC52-07NA27344. This is LLNL contribution LLNL-JRNL-463876. NR 27 TC 7 Z9 7 U1 0 U2 6 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2011 VL 101 IS 4 BP 1965 EP 1970 DI 10.1785/0120110004 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 800DH UT WOS:000293339400039 ER PT J AU Zhang, S Chen, JH Ma, YG Xu, ZB Cai, XZ Ma, GL Zhong, C AF Zhang Song Chen Jin-Hui Ma Yu-Gang Xu Zhang-Bu Cai Xiang-Zhou Ma Guo-Liang Zhong Chen TI Hypertriton and light nuclei production at A-production subthreshold energy in heavy-ion collisions SO CHINESE PHYSICS C LA English DT Article DE hyperon; hypernuclei; dynamic coalescence ID QUARK-GLUON PLASMA; LATTICE QCD; MATTER; HYPERNUCLEI; SEARCH; COLLABORATION; PERSPECTIVE; HYPERONS; STATE AB High-energy heavy-ion collisions produce abundant hyperons and nucleons. A dynamical coalescence model coupled with the ART model is employed to study the production probabilities of light clusters, deuteron (d), triton (t), helion ((3)He), and hypertriton ((3)(A)H) at subthreshold energy of A production (approximate to 1 GeV per nucleon). We study the dependence on the reaction system size of the coalescence penalty factor per additional nucleon and entropy per nucleon. The Strangeness Population Factor (S(3) =(3)(A)H/((3)He x A/p)) shows an extra suppression of hypertriton comparing to light clusters of the same mass number. This model predicts a hypertriton production cross-section of a few mu b in (36)Ar+(36)Ar, (40)Ca+(40)Ca and (56)Ni+(56)Ni in 1 A GeV reactions. The production rate is as high as a few hypertritons per million collisions, which shows that the fixed-target heavy-ion collisions at CSR (Lanzhou/China) at A subthreshold energy are suitable for breaking new ground in hypernuclear physics. C1 [Zhang Song; Chen Jin-Hui; Ma Yu-Gang; Cai Xiang-Zhou; Ma Guo-Liang; Zhong Chen] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. [Xu Zhang-Bu] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Zhang, S (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. EM chenjinhui@sinap.ac.cn; ygma@sinap.ac.cn RI Ma, Yu-Gang/M-8122-2013 OI Ma, Yu-Gang/0000-0002-0233-9900 FU National Natural Science Foundation of China [Y155017011, 10775167, 10875159, 10905085, 11035009, 11047116]; Chinese Academy of Sciences [KJCX2-EW-N01] FX Supported by National Natural Science Foundation of China (Y155017011, 10775167, 10875159, 10905085, 11035009, 11047116), and Knowledge Innovation Project of Chinese Academy of Sciences (KJCX2-EW-N01) NR 45 TC 3 Z9 3 U1 2 U2 6 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD AUG PY 2011 VL 35 IS 8 BP 741 EP 746 DI 10.1088/1674-1137/35/8/008 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 801IF UT WOS:000293431100008 ER PT J AU Peng, YKM Canik, JM Diem, SJ Milora, SL Park, JM Sontag, AC Fogarty, PJ Lumsdaine, A Murakami, M Burgess, TW Cole, MJ Katoh, Y Korsah, K Patton, BD Wagner, JC Yoder, GL Stambaugh, R Staebler, G Kotschenreuther, M Valanju, P Mahajan, S Sawan, M AF Peng, Y. K. M. Canik, J. M. Diem, S. J. Milora, S. L. Park, J. M. Sontag, A. C. Fogarty, P. J. Lumsdaine, A. Murakami, M. Burgess, T. W. Cole, M. J. Katoh, Y. Korsah, K. Patton, B. D. Wagner, J. C. Yoder, G. L. Stambaugh, R. Staebler, G. Kotschenreuther, M. Valanju, P. Mahajan, S. Sawan, M. TI FUSION NUCLEAR SCIENCE FACILITY (FNSF) BEFORE UPGRADE TO COMPONENT TEST FACILITY (CTF) SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan (AESJ), Gen Atom, Univ California, Sch Med ID SPHERICAL TOKAMAK; PHYSICS BASIS; PROGRESS; DAMAGE AB The compact (R-0 similar to 1.2-1.3m) Fusion Nuclear Science Facility (FNSF) is aimed at providing a fully integrated, continuously driven fusion nuclear environment of copious fusion neutrons. This facility would be used to test, discover, and understand the complex challenges of fusion plasma material interactions, nuclear material interactions, tritium fuel management, and power extraction. Such a facility properly designed would provide, initially at the JET-level plasma pressure (similar to 30%T-2) and conditions (e.g., Hot-Ion H-Mode, Q<1)), an outboard fusion neutron flux of 0.25 MW/m(2) while requiring a fusion power of similar to 19 MW If and when this research is successful, its performance can be extended to 1 MW/m(2) and similar to 76 MW by reaching for twice the JET plasma pressure and Q. High-safety factor q and moderate-beta plasmas are used to minimize or eliminate plasma-induced disruptions, to deliver reliably a neutron fluence of 1 MW-yr/m(2) and a duty factor of 10% presently anticipated for the FNS research. Success of this research will depend on achieving time-efficient installation and replacement of all internal components using remote handling (RH). This in turn requires modular designs for the internal components, including the single-turn toroidal field coil center-post. These device goals would further dictate placement of support structures and vacuum weld seals behind the internal and shielding components. If these goals could be achieved, the FNSF would further provide a ready upgrade path to the Component Test Facility (CTF), which would aim to test, for <= 6 MW-yr/m(2) and 30% duty cycle, the demanding fusion nuclear engineering and technologies for DEMO. This FNSF-CTF would thereby complement the ITER Program, and support and help mitigate the risks of an aggressive world fusion DEMO R&D Program. The key physics and technology research needed in the next decade to manage the potential risks of this FNSF are identified. C1 [Peng, Y. K. M.; Canik, J. M.; Diem, S. J.; Milora, S. L.; Park, J. M.; Sontag, A. C.; Lumsdaine, A.; Murakami, M.; Burgess, T. W.; Cole, M. J.; Katoh, Y.; Korsah, K.; Patton, B. D.; Wagner, J. C.; Yoder, G. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Fogarty, P. J.] Innovat Design Inc, Oak Ridge, TN USA. [Stambaugh, R.; Staebler, G.] Gen Atom Co, La Jolla, CA USA. [Kotschenreuther, M.; Valanju, P.; Mahajan, S.] Univ Texas Austin, Austin, TX 78712 USA. [Sawan, M.] Univ Wisconsin, Madison, WI USA. RP Peng, YKM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM pengym@ornl.gov RI Wagner, John/K-3644-2015; OI Wagner, John/0000-0003-0257-4502; Canik, John/0000-0001-6934-6681; Katoh, Yutai/0000-0001-9494-5862 NR 26 TC 14 Z9 14 U1 1 U2 16 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 441 EP 448 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300003 ER PT J AU Cohen, AB Gentile, CA Tully, CG Austin, R Calaprice, F McDonald, K Ascione, G Baker, G Davidson, R Dudek, L Grisham, L Kugel, H Pagdon, K Stevenson, T Woolley, R Zwicker, A AF Cohen, A. B. Gentile, C. A. Tully, C. G. Austin, R. Calaprice, F. McDonald, K. Ascione, G. Baker, G. Davidson, R. Dudek, L. Grisham, L. Kugel, H. Pagdon, K. Stevenson, T. Woolley, R. Zwicker, A. TI DEVELOPMENT OF AN EXTREME ENVIRONMENT MATERIALS RESEARCH FACILITY AT PRINCETON SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB The fundamental understanding of material response to a neutron and/or high heat flux environment can yield development of improved materials and operations with existing materials. A concept has been advanced to develop a facility for testing various materials under extreme heat and neutron exposure conditions at Princeton. The Extreme Environment Materials Research Facility comprises an environmentally controlled chamber (48 m boolean AND 3) capable of high vacuum conditions, with extreme flux beams and probe beams accessing a central, large volume target. The facility will have the capability to expose large surface areas (1 m boolean AND 2) to 14 MeV neutrons at a fluence in excess of 10 boolean AND 13 n/s. Depending on the operating mode. Additionally (deuterium) beam line power of 15-75 MW/m2 for durations of 1-15 seconds is planned. The facility will be housed in an existing test cell that previously held the Tokamak Fusion Test Reactor (TFTR). C1 [Cohen, A. B.; Gentile, C. A.; Ascione, G.; Baker, G.; Davidson, R.; Dudek, L.; Grisham, L.; Kugel, H.; Pagdon, K.; Stevenson, T.; Woolley, R.; Zwicker, A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Tully, C. G.; Austin, R.; Calaprice, F.; McDonald, K.] Princeton Univ, Dept Phys, Princeton, NJ 08540 USA. RP Cohen, AB (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 5 TC 0 Z9 0 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 454 EP 458 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300005 ER PT J AU Carlson, L Tillack, M Najmabadi, F Kessel, C AF Carlson, Lane Tillack, Mark Najmabadi, Farrokh Kessel, Charles TI DEVELOPMENT OF A VISUALIZATION TOOL FOR THE ARIES SYSTEMS CODE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan (AESJ), Gen Atom, Univ California, Sch Med ID DESIGN POINT; SELECTION AB A graphical user interface (GUI) is being developed by the ARIES team to visually display large amounts of system parameter data relevant to tokamak power plants. The objective of the Visual ARIES Systems Scanning Tool (VASST) is to harness the scanning power of the new systems code by filtering the tremendous amount of data and displaying it in an interactive and exploratory manner. The goal of the software tool is to better understand the tradeoffs between design parameters and to gain insight into parametric trends. Progress has been made in creating a GUI that allows the user to intuitively and interactively create color-coded plots using any of the parameters within the database. Among other features, a user-input constraint allows the user to limit the parameter space to include/exclude certain ranges of data that are of interest. VASST is being utilized in conjunction with system analysis scans for the ARIES studies reviewing aggressive and conservative physics and technology assumptions to help define tokamak power plants. C1 [Carlson, Lane; Tillack, Mark; Najmabadi, Farrokh] Univ Calif San Diego, La Jolla, CA 92093 USA. [Kessel, Charles] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Carlson, L (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM lcarlson@ucsd.edu NR 6 TC 2 Z9 2 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 459 EP 463 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300006 ER PT J AU Combs, SK Leachman, JW Meitner, SJ Baylor, LR Foust, CR Commaux, N Jernigan, TC AF Combs, S. K. Leachman, J. W. Meitner, S. J. Baylor, L. R. Foust, C. R. Commaux, N. Jernigan, T. C. TI A TECHNIQUE FOR PRODUCING LARGE DUAL-LAYER PELLETS IN SUPPORT OF DISRUPTION MITIGATION EXPERIMENTS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan (AESJ), Gen Atom, Univ California, Sch Med ID INJECTION AB A special single-shot pellet injection system that produces and accelerates large cryogenic pellets (similar to 16 mm diameter and composed of D(2) or Ne) to relatively high speeds (>300 and 600 m/s, respectively) was previously developed at the Oak Ridge National Laboratory. Subsequently, a similar system was installed on DIII-D and used successfully in disruption mitigation experiments. To circumvent some operational issues with injecting the large Ne pellets, a technique has been developed in which a relatively thin layer (0.1 to 1.0 mm) of D(2) is frozen on the inner wall of the pipe-gun barrel, followed by filling the core with solid Ne. A fast solenoid valve operating with a light gas (H(2) or He) at relatively high pressure (similar to 70 bar) provides the force necessary to break away the dual-layer pellet and accelerate it. The technique and the initial laboratory tests are described, as well as the implementation and operational issues for fusion experiments. C1 [Combs, S. K.; Meitner, S. J.; Baylor, L. R.; Foust, C. R.; Commaux, N.; Jernigan, T. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Leachman, J. W.] Washington State Univ, Pullman, WA 99164 USA. RP Combs, SK (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM combssk@ornl.gov; jacob.leachman@wsu.edu RI Leachman, Jacob/J-8798-2013 OI Leachman, Jacob/0000-0001-5437-8816 NR 16 TC 1 Z9 1 U1 0 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 473 EP 479 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300008 ER PT J AU Renk, TJ Williams, B El-Guebaly, L Jaber, A AF Renk, T. J. Williams, B. El-Guebaly, L. Jaber, A. TI THREE-DIMENSIONAL 'TEXTURED' COATINGS AS FIRST-WALL MATERIALS: EXPOSURE TO ENERGETIC IONS ON RHEPP-1 SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California ID WALL MATERIALS RESPONSE; PLANT LEVEL FLUENCES; DUCTILE-BRITTLE TRANSITION; POWER-PLANT; PULSED IONS; TUNGSTEN; TEMPERATURE; ARMOR; BEHAVIOR; REACTOR AB The level of energy deposition on future inertial fusion energy (IFE) reactor first walls, particularly in direct-drive scenarios, makes the ultimate survivability of such wall materials a challenge. We investigate the survivability of three-dimensional (3-D) dendritic materials fabricated by chemical vapor deposition (CVD), and exposed to repeated intense helium beam pulses on the RHEPP-1 facility at Sandia National Laboratories. Prior exposures of flat materials have led to what appears to be unacceptable mass loss on timescales insufficient for economical reactor operation. Two potential advantages of such dendritic materials are a) increased effective surface area, resulting in lowered fluences to most of the wall material surface, and b) improvement in materials properties for such micro-engineered metals compared to bulk processing. Several dendritic fabrications made with either tungsten and tungsten with rhenium show little or no morphology change after up to 800 pulses of 1 MeV helium at reactor-level thermal wall loading. Since the rhenium is added in a thin surface layer, its use does not appear to raise environmental concerns for fusion designs. C1 [Renk, T. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Williams, B.] Ultramet Inc, Pacoima, CA 91331 USA. [El-Guebaly, L.; Jaber, A.] Univ Wisconsin, Madison, WI 53706 USA. RP Renk, TJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tjrenk@sandia.gov; brian.williams@ultramet.com; elguebaly@engr.wisc.edu; ajaber@wisc.edu NR 28 TC 2 Z9 2 U1 0 U2 4 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 570 EP 578 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300026 ER PT J AU Verbeke, J Young, M Brereton, S Dauffy, L Hall, J Hansen, L Khater, H Kim, S Pohl, B Sitaraman, S AF Verbeke, J. Young, M. Brereton, S. Dauffy, L. Hall, J. Hansen, L. Khater, H. Kim, S. Pohl, B. Sitaraman, S. TI PLANNING TOOLS FOR ESTIMATING RADIATION EXPOSURE AT THE NATIONAL IGNITION FACILITY SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan (AESJ), Gen Atom, Univ California, Sch Med AB A set of computational tools was developed to help estimate and minimize potential radiation exposure to workers from material activation in the National Ignition Facility (NIF). AAMI (Automated ALARA-MCNP Interface) provides an efficient, automated mechanism to perform the series of calculations required to create dose rate maps for the entire facility with minimal manual user input. NEET (NIF Exposure Estimation Tool) is a web application that combines the information computed by AAMI with a given shot schedule to compute and display the dose rate maps as a function of time. AAMI and NEET are currently used as work planning tools to determine stay-out times for workers following a given shot or set of shots, and to help in estimating integrated doses associated with performing various maintenance activities inside the target bay. Dose rate maps of the target bay were generated following a low-yield 10(16) D-T shot and will be presented in this paper. C1 [Verbeke, J.; Young, M.; Brereton, S.; Dauffy, L.; Hall, J.; Hansen, L.; Khater, H.; Kim, S.; Pohl, B.; Sitaraman, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Verbeke, J (reprint author), Lawrence Livermore Natl Lab, 9000 East Ave, Livermore, CA 94550 USA. EM verbeke2@llnl.gov NR 10 TC 3 Z9 3 U1 0 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 595 EP 599 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300030 ER PT J AU Yang, XL Miley, GH Flippo, KA Gaillard, SA Offermann, DT Hora, H Gall, BB Burris-Mog, T Rassuchine, J Plechaty, C Ren, J AF Yang, Xiaoling Miley, George H. Flippo, Kirk A. Gaillard, Sandrine A. Offermann, Dustin T. Hora, Heinrich Gall, Brady B. Burris-Mog, Trevor Rassuchine, Jennifer Plechaty, Christopher Ren, Jun TI D-CLUSTER CONVERTER FOIL FOR LASER-ACCELERATED DEUTERON BEAMS: TOWARDS DEUTERON-BEAM-DRIVEN FAST IGNITION SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan (AESJ), Gen Atom, Univ California, Sch Med ID PROTON-BEAMS; TARGETS; FUSION; ENERGY; IONS AB A volumetrically-loaded ultra-high-density deuterium cluster material is described here for use as a deuteron beam source in laser matter interactions. Due to high volumetric loading, the material has potential to provide enough deuteron beam flux for the inertial confinement fusion (ICF) fuel ignition, avoiding depletion problem encountered by current proton-driven fast ignition (FI). In addition, accelerated deuterons can fuse with the ICF fuel (both D and T) to provide extra "bonus" energy gain, which further relaxes the laser-driver energy needed Preliminary TRIDENT sub-Petawatt Laser experiments have provided some encouraging results showing that our cluster foils with a relative low packing fraction, can achieve a high yield of the accelerated deuterons even in the presence of an unwanted surface contaminant. C1 [Yang, Xiaoling; Miley, George H.] Univ Illinois, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. [Flippo, Kirk A.; Offermann, Dustin T.; Ren, Jun] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gaillard, Sandrine A.; Burris-Mog, Trevor; Rassuchine, Jennifer] Forschungszentrum Dresden Rossendorf, Dresden, Germany. [Hora, Heinrich] Univ New S Wales, Sydney, NSW 2052, Australia. [Gall, Brady B.] Univ Missouri, Dept Elect & Comp Engn, Columbia, MO 65211 USA. [Plechaty, Christopher] Univ Nevada, Dept Phys, Reno, NV 89557 USA. RP Miley, GH (reprint author), Univ Illinois, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. EM xlyang@illinois.edu; ghmiley@illinois.edu RI Flippo, Kirk/C-6872-2009; OI Flippo, Kirk/0000-0002-4752-5141; Offermann, Dustin/0000-0002-6033-4905 NR 26 TC 1 Z9 1 U1 0 U2 7 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 615 EP 619 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300033 ER PT J AU Bromberg, L Zarnstorff, M Meneghini, O Brown, T Heitzenroeder, P Neilson, GH Minervini, JV Boozer, A AF Bromberg, L. Zarnstorff, M. Meneghini, O. Brown, T. Heitzenroeder, P. Neilson, G. H. Minervini, J. V. Boozer, A. TI STELLARATOR CONFIGURATION IMPROVEMENT USING HIGH TEMPERATURE SUPERCONDUCTING MONOLITHS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB Substantial advances have been made in the design of stellarator configurations to satisfy, physics properties and fabrication feasibility requirements for experimental devices. However, reactors will require further advances in configuration design, in particular with regard to maintenance and operational characteristics, in order to have high availability. The diamagnetic properties of bulk high temperature superconductor (HTS) material can be used to provide simple mechanisms for magnetic field-shaping by arranging them appropriately in an ambient field produced by relatively simple coils. A stellarator configuration has been developed based on this concept. A small number of toroidal field coils carrying appropriate current would be sufficient to create a background toroidal field. Discrete HTS monoliths ("pucks" or "tiles") are placed on a shaped structure that can be split in the poloidal direction at arbitrary locations. This allows modular stellarators to be designed with large openings that provide access to remove interior plasma facing components, no longer restricted by highly shaped back legs of the modular coil winding. Unlike a coil, the structure can be assembled and disassembled in pieces of convenient size, facilitating maintenance. Calculations of the effect of the use of monoliths for field modification in stellarators and rokamaks will be described. C1 [Bromberg, L.; Meneghini, O.; Minervini, J. V.] MIT Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Zarnstorff, M.; Brown, T.; Heitzenroeder, P.; Neilson, G. H.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Boozer, A.] Columbia Univ, New York, NY USA. RP Bromberg, L (reprint author), MIT Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. EM brom@psfc.mit.edu; zarnstor@pppl.gov; ahb17@columbia.edu NR 9 TC 1 Z9 1 U1 0 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 643 EP 647 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300038 ER PT J AU Zolfaghari, A Titus, P Chrzanowski, J Salehzadeh, A Dahlgren, F AF Zolfaghari, A. Titus, P. Chrzanowski, J. Salehzadeh, A. Dahlgren, F. TI ANALYSIS OF NSTX UPGRADE OH MAGNET AND CENTER STACK SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB The new ohmic heating (OH) coil and center stack for the National Spherical Torus Experiment (NSTX) upgrade are required to meet cooling and structural requirements for operation at the enhanced 1 Tesla toroidal field and 2 MA plasma current. The OH coil is designed to be cooled in the time between discharges by water flowing in the center of the coil conductor. We performed resistive heating and thermal hydraulic analyses to optimize coolant channel size to keep the coil temperature below 100 C and meet the required 20 minute cooling time. Coupled electromagnetic, thermal and structural FEA analyses were performed to determine if the OH coil meets the requirements of the structural design criteria. Structural response of the OH coil to its self-field and the field from other coils was analyzed. A model was developed to analyze the thermal and electromagnetic interaction of centerstack components such as the OH coil, toroidal field (TF) coil inner legs and the Bellville washer preload mechanism. Torsional loads from the TF interaction with the OH and poloidal fields are transferred through the TF flag extensions via a torque transfer coupling to the rest of the tokamak structure. A 3D FEA analysis was performed to qualify this design. The results of these analyses, which will be presented in this paper, have led to the design of OH coil and centerstack components that meet the requirements of the NSTX-upgrade structural design criteria. C1 [Zolfaghari, A.; Titus, P.; Chrzanowski, J.; Salehzadeh, A.; Dahlgren, F.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08544 USA. RP Zolfaghari, A (reprint author), Princeton Univ, Plasma Phys Lab, Princeton, NJ 08544 USA. EM azolfagh@pppl.gov NR 6 TC 2 Z9 2 U1 1 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 658 EP 663 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300041 ER PT J AU Zhang, H Smith, M Titus, P Rogoff, P Zolfaghari, A Mangra, D AF Zhang, H. Smith, M. Titus, P. Rogoff, P. Zolfaghari, A. Mangra, D. TI THERMAL, ELECTROMAGNETIC AND STRUCTURAL ANALYSIS OF NSTX TF COIL SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB Analyses for the NSTX upgrade serve two main purposes. The first is supporting the design of new components, principally the centerstack. The second is qualifying the existing components for higher loads, which increase by a factor of four. Two areas representing this effort are presented: analysis of the current distribution in the new centerstack TF inner coils, and analysis of the support structure for the existing TF outer coils. The current diffusion analysis determines the temperature rise, thermal stress and required active cooling parameters. The TF structural analysis aids in the truss design while quantifying the machine loads and stresses. C1 [Zhang, H.; Smith, M.; Titus, P.; Rogoff, P.; Zolfaghari, A.; Mangra, D.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08544 USA. RP Zhang, H (reprint author), Princeton Univ, Plasma Phys Lab, Princeton, NJ 08544 USA. EM hzhang@pppl.gov NR 6 TC 1 Z9 1 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 664 EP 668 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300042 ER PT J AU Ibrahim, AM Sawan, ME Mosher, SW Evans, TM Peplow, DE Wilson, PP Wagner, JC AF Ibrahim, A. M. Sawan, M. E. Mosher, S. W. Evans, T. M. Peplow, D. E. Wilson, P. P. Wagner, J. C. TI GLOBAL EVALUATION OF PROMPT DOSE RATES IN ITER USING HYBRID MONTE CARLO/DETERMINISTIC TECHNIQUES SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB The hybrid Monte Carlo (MC)/deterministic techniques - Consistent Adjoint Driven Importance Sampling (CADIS) and Forward Weighted CADIS (FW-CADIS) - enable the full 3-D modeling of very large and complicated geometries. The ability of performing global MC calculations for nuclear parameters throughout the entire ITER reactor was demonstrated. The 2 m biological shield (bioshield) reduces the total prompt operational dose by six orders of magnitude. The divertor cryo-pump port results in a peaking factor of 120 in the prompt operational dose rate behind the bioshield of ITER. The equatorial port, plugged by 2 m of shielding, increases the prompt dose rate behind the bioshield by a factor of 47. The peak values of the prompt dose rates at the back surface of the bioshield were 240 mu Sv/hr and 94 mu Sv/hr corresponding to the regions behind the divertor cryo-pump port and the equatorial port, respectively. C1 [Ibrahim, A. M.; Sawan, M. E.; Wilson, P. P.] Univ Wisconsin, Madison, WI 53706 USA. [Mosher, S. W.; Evans, T. M.; Peplow, D. E.; Wagner, J. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Ibrahim, AM (reprint author), Univ Wisconsin, Madison, WI 53706 USA. EM amibrahim@wisc.edu RI Wagner, John/K-3644-2015; OI Wagner, John/0000-0003-0257-4502; Wilson, Paul/0000-0002-8555-4410 NR 9 TC 3 Z9 3 U1 1 U2 5 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 676 EP 680 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300044 ER PT J AU Seifried, JE Fratoni, M Kramer, KJ Latkowski, JF Peterson, PF Powers, JJ Taylor, JM AF Seifried, Jeffrey E. Fratoni, Massimiliano Kramer, Kevin J. Latkowski, Jeffery F. Peterson, Per F. Powers, Jeffrey J. Taylor, Janine M. TI ADJOINT-BASED UNCERTAINTY ANALYSIS FOR ESSENTIAL REACTIONS IN A LASER INERTIAL FUSION ENGINE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California ID LIFE ENGINE AB This study establishes a procedure for constructing explicit and adjoint-based implicit sensitivities with MCNP5. Using these methods, an instantaneous sensitivity-based uncertainty analysis is performed on the depleted uranium hybrid LIFE (Laser Inertial Fusion Energy) blanket. Explicit sensitivities and uncertainties are calculated for (n, 2n), tritium production, fission, and radiative capture reaction rates during the fuel lifecycle. Nuclear data uncertainties and Monte Carlo counting precision are compared in a convergence study and the compounding of the two is quantified to gauge the validity of the analysis. A multi-group cross-section library is generated for adjoint calculations and selected adjoint distributions are shown and discussed. C1 [Seifried, Jeffrey E.; Peterson, Per F.; Powers, Jeffrey J.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Seifried, Jeffrey E.; Fratoni, Massimiliano; Kramer, Kevin J.; Latkowski, Jeffery F.; Powers, Jeffrey J.; Taylor, Janine M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Seifried, JE (reprint author), Univ Calif Berkeley, Dept Nucl Engn, 4155 Etcheverry Hall,MC 1730, Berkeley, CA 94720 USA. EM jeffseif@berkeley.edu RI Fratoni, Massimiliano/F-9746-2011; Fratoni, Massimiliano/M-8323-2015; OI Fratoni, Massimiliano/0000-0003-0452-0508; Powers, Jeffrey/0000-0003-3653-3880 NR 14 TC 0 Z9 0 U1 0 U2 4 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 692 EP 697 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300047 ER PT J AU Youssef, MZ Feder, R Dagher, M Aoyama, A Duco, M AF Youssef, Mahmoud Z. Feder, Russell Dagher, Mohamed Aoyama, Aaron Duco, Michael TI NEUTRONICS ANALYSIS OF THE DIVERTOR INTERFEROMETER DIAGNOSTICS INSIDE THE LOWER PORT #8 PLUG OF ITER WITH ATTILA 3-D CAD-BASED FEM CODE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB The Divertor Interferometer Diagnostics is located inside the 8(th) lower port plug of ITER and consists of 16 laser beam channels. The beam channels start from windows at the rear vacuum enclosure door of the port and pass through a shield block mounted on a structural sled. The cassette box of the laser beams is mounted on the central divertor cassette and the branching beams pass through the 20-mm gaps between the divertor cassette. Nuclear heating and damage (DPA and helium production) rats are calculated in structure of the divertor components and at the sensitive mirrors that direct the laser beams. Personnel dose rates are also calculated inside the port and at the inter space behind the port enclosure. The Distributed Memory Parallel (DMP) version of ATTILA code, SEVERIAN, is used in assessing the heating and damage rate while the dose rate analysis is performed using the serial ATTILA. A 40-degrees CAD model was constructed based on ALITE03 and ALITE04 MCNP CATIA model. About 1.88M cells were used with Sn32P3 approximation along with a 46n-21 gamma cross section library based on FENDL2.1. C1 [Youssef, Mahmoud Z.; Dagher, Mohamed; Aoyama, Aaron] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Feder, Russell; Duco, Michael] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Youssef, MZ (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA. EM youssef@fusion.ucla.edu; rfeder@pppl.gov NR 4 TC 3 Z9 3 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 730 EP 737 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300054 ER PT J AU El-Guebaly, L Cadwallader, L Sowder, W AF El-Guebaly, L. Cadwallader, L. Sowder, W. CA ARIES Team TI CHALLENGES OF FUSION POWER PLANT LICENSING: DIFFERENCES AND COMMONALITIES WITH EXISTING SYSTEMS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan (AESJ), Gen Atom, Univ California, Sch Med ID ITER; CONSTRUCTION; CADARACHE; STANDARDS; DESIGN AB At present, there are no regulatory guidelines to follow for US fusion power plant construction and operation. Thus far, the Department of Energy (DOE) has been regulating existing fusion experiments, following the 1996-1999 DOE Fusion Standards and using the spirit of the ASME (American Society of Mechanical Engineers) code. Considering this reality, a few options emerged for licensing ARIES-type power plants and the like. Developing new fusion-specific regulations stands out as the most logical option, but requires well-coordinated effort between DOE, regulatory agencies, and the fusion community with considerable funding and long lead-time. Nevertheless, a few recent developments seem promising: 1) The US Nuclear Regulatory Commission (NRC) plans to assert regulatory jurisdiction over commercial fusion devices, and 2) the ongoing effort within ASME will develop rules for the construction of fusion-energy-related components. The most recent NRC, ASME and fusion licensing developments are reviewed in this paper. In addition, an interesting comparison. with ITER was made to foresee how US fusion power plants could leverage from ITER. C1 [El-Guebaly, L.] Univ Wisconsin, Madison, WI 53706 USA. [Cadwallader, L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Sowder, W.] Qual Management Serv Inc LLC, Idaho Falls, ID 83415 USA. RP El-Guebaly, L (reprint author), Univ Wisconsin, 1500 Engn Dr, Madison, WI 53706 USA. EM elguebaly@engr.wisc.edu; Lee.Cadwallader@inl.gov; wksowder@yahoo.com RI Cadwallader, Lee/F-6933-2014 NR 33 TC 2 Z9 2 U1 0 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 751 EP 759 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300057 ER PT J AU Sitaraman, S Brereton, S Dauffy, L Hall, J Hansen, L Khater, H Kim, S Pohl, B Verbeke, J Young, M AF Sitaraman, S. Brereton, S. Dauffy, L. Hall, J. Hansen, L. Khater, H. Kim, S. Pohl, B. Verbeke, J. Young, M. TI POST-SHOT RADIATION ENVIRONMENT FOLLOWING LOW-YIELD SHOTS INSIDE THE NATIONAL IGNITION FACILITY SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB A detailed model of the Target Bay (TB) at the National Ignition Facility (NIF) has been developed to estimate the post-shot radiation environment inside the facility. The model includes large number of structures and diagnostic instruments present inside the TB. These structures and instruments are activated by the few nanosecond pulse of neutrons generated during a shot and the resultant gamma dose rates are estimated at various decay times following the shot. The results presented in this paper are based on a low-yield D-T shot of 10(16) neutrons. General environment dose rates drop to below 3 mrem/h within three hours following a shot with higher dose rates observed at contact with some of the components. Dose rate maps of the different TB levels were generated to aid in estimating worker stay-out times following a shot before entry is permitted into the TB. C1 [Sitaraman, S.; Brereton, S.; Dauffy, L.; Hall, J.; Hansen, L.; Khater, H.; Kim, S.; Pohl, B.; Verbeke, J.; Young, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sitaraman, S (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM sitaraman1@llnl.gov NR 9 TC 1 Z9 1 U1 2 U2 6 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 760 EP 764 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300058 ER PT J AU Zhang, H Ying, A Abdou, M Merrill, B AF Zhang, H. Ying, A. Abdou, M. Merrill, B. TI MODELING TRITIUM TRANSPORT IN PBLI BREEDER BLANKETS UNDER STEADY STATE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan (AESJ), Gen Atom, Univ California, Sch Med ID FLOW AB Tritium behavior in the breeder/coolant plays a crucial role in keeping the tritium loss under an allowable limit and realizing high tritium recovery efficiency. In this paper, progress toward the development of a comprehensive 3D predictive capability is discussed and presented. The sequence of transport processes leading to tritium release includes diffusion and convection through the PbLi, transfer across the liquid/solid interface, diffusion of atomic tritium through the structure, and dissolution-recombination at the solid/gas interface. Numerical simulation of the coupled individual physics phenomena of tritium transport is performed for DCLL/HCLL type breeder blankets under realistic reactor-like conditions in this paper. Tritium concentration and permeation are presented and the MHD effects are evaluated. Preliminary results shows that the MHD velocity profile has the significant effect in preventing tritium permeation due to the higher convection effects near the wall. C1 [Zhang, H.; Ying, A.; Abdou, M.] Univ Calif Los Angeles, Dept Mech & Aerosp Engn, Los Angeles, CA 90095 USA. [Merrill, B.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Zhang, H (reprint author), Univ Calif Los Angeles, Dept Mech & Aerosp Engn, Los Angeles, CA 90095 USA. EM zhjbook@gmail.com RI Robertson, Simon/D-1549-2012 NR 6 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 814 EP 818 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300068 ER PT J AU Aoyama, AT Dagher, M Feder, R Duco, M Youssef, M AF Aoyama, Aaron T. Dagher, Mohamad Feder, Russell Duco, Michael Youssef, Mahmoud TI DEVELOPMENT OF A-LITE MODEL FOR USE IN ATTILA RADIATION TRANSPORT FINITE ELEMENT ANALYSIS OF THE ITER LOWER DIVERTOR REGION SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 19th Topical Meeting on the Technology of Fusion Energy (TOFE-19) CY NOV 08-11, 2011 CL Las Vegas, NV SP Amer Nucl Soc Fus Energy Div, US Dept Energy, Atom Energy Soc Japan, Gen Atom, Univ California AB Neutron transport modeling of the ITER reactor structure including modeling the impact of potential neutron streaming along the divertor cassette requires a detailed 3-D CAD solid model of the ITER sector. An all-inclusive, full-scale CAD geometry model of a 40 degree section of the ITER reactor structure was developed for analytical use with the ATTILA (TM) radiation transport code. The source geometry and model used was the reference 1/10(th) scale A-LITE 3 model provided by the ITER Project Office for radiation transport calculations. Model upscaling, examination, CAD-based cleanup and modifications were performed on each component using the commercial CAD software, Solid Works. Based on the modified components a new full scale solid model of the ITER section including divertor cassettes was developed in order to ease the implementation of additional diagnostic components being designed by various parties. Geometry repair and modification operations were performed with the goal of obtaining a Parasolid model that would successfully import into and mesh in ATTILA. Many components were re-modeled in order to avoid faulty geometry entities that were identified after the scaling to full-size. This paper will discuss the development of this A-LITE CAD model, and its meshing in ATTILA. C1 [Aoyama, Aaron T.; Dagher, Mohamad; Youssef, Mahmoud] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Feder, Russell; Duco, Michael] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Aoyama, AT (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA. EM aaoyama@gmail.com; rfeder@pppl.gov NR 5 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD AUG PY 2011 VL 60 IS 2 BP 830 EP 834 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 801EQ UT WOS:000293420300071 ER PT J AU Sun, W Xu, AS Marchuk, K Wang, GF Fang, N AF Sun, Wei Xu, Aoshuang Marchuk, Kyle Wang, Gufeng Fang, Ning TI Whole-Cell Scan Using Automatic Variable-Angle and Variable-Illumination-Depth Pseudo-Total Internal Reflection Fluorescence Microscopy SO JALA LA English DT Article DE TIRFM; variable angle; variable illumination depth; pseudo-TIRFM ID EPIFLUORESCENCE AB An automatic calibration and angle-scanning prism-type total internal reflection fluorescence microscope (TIRFM) was modified to function in both TIRFM and pseudo-TIRFM modes. When the incident angle of the excitation laser beam was controlled to be larger than the critical angle, the instrument served as a variable-angle TIRFM. A homemade computer program automatically calibrates the laser illumination spot in the sample to overlap with the center of the microscope's field of view. Then, by measuring the fluorescence intensities at different incident angles, the z-positions of fluorescent nanospheres close to the cell basolateral membrane can be extracted. When the incident angle is reduced to be in the subcritical range, the instrument works as a pseudo-TIRFM. The whole cell body from bottom to top can be imaged in a vertical scan process. Furthermore, the illumination field depth in the pseudo-TIRFM can be controlled by changing the incident angle or the horizontal position of the laser spot. (JALA 2011;16:255-62) C1 [Fang, Ning] Iowa State Univ, Dept Chem, Ames Lab USDOE, Ames, IA 50011 USA. [Sun, Wei; Xu, Aoshuang; Marchuk, Kyle; Wang, Gufeng; Fang, Ning] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. RP Fang, N (reprint author), Iowa State Univ, Dept Chem, Ames Lab USDOE, 1605 Gilman Hall, Ames, IA 50011 USA. EM nfang@iastate.edu RI Wang, Gufeng/B-3972-2011; Fang, Ning/A-8456-2011 FU U.S. Department of Energy [DE-AC02-07CH11358]; Director of Science, Office of Basic Energy Sciences, Division of Chemical Sciences FX The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work was supported by the Director of Science, Office of Basic Energy Sciences, Division of Chemical Sciences. NR 8 TC 4 Z9 4 U1 0 U2 7 PU ELSEVIER INC PI SAN DIEGO PA 525 B STREET, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1535-5535 J9 JALA-J LAB AUTOM JI JALA PD AUG PY 2011 VL 16 IS 4 BP 255 EP 262 DI 10.1016/j.jala.2010.10.001 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 797IV UT WOS:000293118600002 PM 21764020 ER PT J AU Tang, KQ Page, JS Marginean, I Kelly, RT Smith, RD AF Tang, Keqi Page, Jason S. Marginean, Ioan Kelly, Ryan T. Smith, Richard D. TI Improving Liquid Chromatography-Mass Spectrometry Sensitivity Using a Subambient Pressure Ionization with Nanoelectrospray (SPIN) Interface SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE ESI; LC-MS; Sensitivity; Subambient pressure ESI; Ion source ID ELECTROSPRAY ION-SOURCE; IN-VACUO; PROTEOMICS; SEPARATIONS; EFFICIENCY; PHASE; MS AB In this work, the subambient pressure ionization with nanoelectrospray (SPIN) ion source and interface, which operates at similar to 15-30 Torr, is demonstrated to be compatible with gradient reversed-phase liquid chromatography-MS applications, exemplified here with the analysis of complex samples (a protein tryptic digest and a whole cell lysate). A low liquid chromatographic flow rate (100-400 nL/min) allowed stable electrospray to be established while avoiding electrical breakdown. Efforts to increase the operating pressure of the SPIN source relative to previously reported designs prevented solvent freezing and enhanced charged cluster/droplet desolvation. A 5- to 12-fold improvement in sensitivity relative to a conventional atmospheric pressure nanoelectrospray ionization (ESI) source was obtained for detected peptides. C1 [Tang, Keqi; Page, Jason S.; Marginean, Ioan; Kelly, Ryan T.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. EM rds@pnl.gov RI Marginean, Ioan/A-4183-2008; Smith, Richard/J-3664-2012; Kelly, Ryan/B-2999-2008 OI Marginean, Ioan/0000-0002-6693-0361; Smith, Richard/0000-0002-2381-2349; Kelly, Ryan/0000-0002-3339-4443 FU NIH National Center for Research Resources [RR018522]; NIH National Cancer Institute [R21 CA126191]; National Institute of Allergy and Infectious Diseases NIH/DHHS [Y1-AI-4894-01]; DOE [DE-AC05-76RLO 1830] FX Portions of this research were supported by the NIH National Center for Research Resources (RR018522), the NIH National Cancer Institute (R21 CA126191), and the National Institute of Allergy and Infectious Diseases NIH/DHHS through interagency agreement Y1-AI-4894-01. Experimental portions of this research 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 no. DE-AC05-76RLO 1830. NR 39 TC 10 Z9 11 U1 1 U2 23 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD AUG PY 2011 VL 22 IS 8 BP 1318 EP 1325 DI 10.1007/s13361-011-0135-7 PG 8 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 796DE UT WOS:000293029600004 PM 21953185 ER PT J AU Tolmachev, AV Robinson, EW Wu, S Smith, RD Pasa-Tolic, L AF Tolmachev, Aleksey V. Robinson, Errol W. Wu, Si Smith, Richard D. Pasa-Tolic, Ljiljana TI Trapping Radial Electric Field Optimization in Compensated FTICR Cells SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE FT-ICR; FTMS; LC-MS; Cell compensation; Dynamic range; Resolving power; Mass accuracy ID RESONANCE MASS-SPECTROMETRY; SPACE-CHARGE; ION CELL; FT-ICR; MEASUREMENT ACCURACY; CALIBRATION; EXCITATION; ACCUMULATION; MS AB Herein, we present the theoretical and experimental study of the recently introduced FTICR cell designs. We developed an approach that determines the electric field inside the cell, based on the measurement of calibration coefficients as a function of post-excitation radius and other conditions. Using the radial electric field divided by radius (E (r) /r) as a criterion of the cell harmonization, we compare the compensated cell approach with alternative designs and discuss practical implications of the cell compensation. C1 [Robinson, Errol W.; Wu, Si; Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Tolmachev, Aleksey V.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, EMSL, MSIN K8 98, Richland, WA 99352 USA. RP Pasa-Tolic, L (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM Ljiljana.pasatolic@pnl.gov RI Robinson, Errol/I-3148-2012; Smith, Richard/J-3664-2012 OI Robinson, Errol/0000-0003-0696-6239; Smith, Richard/0000-0002-2381-2349 FU US Department of Energy (DOE) Office of Biological and Environmental Research; NIH National Center for Research Resources [RR018522]; DOE [DE-AC05-76RLO 1830] FX The authors acknowledge that portions of this work were supported by the US Department of Energy (DOE) Office of Biological and Environmental Research and by the NIH National Center for Research Resources (RR018522). Work was performed in the Environmental Molecular Science Laboratory (EMSL), a DOE national scientific user facility located on the campus of Pacific Northwest National Laboratory (PNNL) in Richland, Washington. PNNL is a multi-program national laboratory operated by Battelle for the DOE under contract DE-AC05-76RLO 1830. NR 25 TC 10 Z9 10 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD AUG PY 2011 VL 22 IS 8 BP 1334 EP 1342 DI 10.1007/s13361-011-0167-z PG 9 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 796DE UT WOS:000293029600006 PM 21953187 ER PT J AU Johnson, GE Hadjar, O Laskin, J AF Johnson, Grant E. Hadjar, Omar Laskin, Julia TI Characterization of the Ion Beam Focusing in a Mass Spectrometer Using an IonCCD (TM) Detector SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE IonCCD; Pixel-based detector; Position-sensitive detection; Ion optics; Ion focusing; Soft landing ID FOCAL-PLANE AB A position sensitive pixel-based detector array, referred to as the IonCCD, has been employed to characterize the ion optics and ion beam focusing in a custom built mass spectrometer designed for soft and reactive landing of mass-selected ions onto surfaces. The IonCCD was placed at several stages along the path of the ion beam to determine the focusing capabilities of the various ion optics, which include an electrodynamic ion funnel, two radiofrequency (rf)-only collision quadrupoles, a mass resolving quadrupole, a quadrupole bender, and two einzel lens assemblies. The focusing capabilities of the rf-only collision quadrupoles and einzel lenses are demonstrated by large decreases in the diameter of the ion beam. In contrast, the mass resolving quadrupole is shown to significantly defocus the mass-selected ion beam resulting in an expansion of the measured ion beam diameter. Combined with SIMION simulations, we demonstrate that the IonCCD can identify minor errors in the alignment of charged-particle optics that result in erratic trajectories and significant deflections of the ion beam. This information may be used to facilitate the design, assembly, and maintenance of custom-built mass spectrometry instrumentation. C1 [Johnson, Grant E.; Laskin, Julia] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Hadjar, Omar] OI Analyt, CMS Field Prod, Pelham, AL USA. RP Johnson, GE (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999,MSIN K8-88, Richland, WA 99352 USA. EM grant.johnson@pnl.gov RI Laskin, Julia/H-9974-2012; OI Laskin, Julia/0000-0002-4533-9644; Johnson, Grant/0000-0003-3352-4444 FU Chemical Sciences Division, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE); Pacific Northwest National Laboratory (PNNL); U.S. DOE of Biological and Environmental Research FX The authors acknowledge support for this research by a grant from the Chemical Sciences Division, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE), and the Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory (PNNL). This work was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. DOE of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle for the U.S. DOE. NR 17 TC 8 Z9 8 U1 0 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD AUG PY 2011 VL 22 IS 8 BP 1388 EP 1394 DI 10.1007/s13361-011-0154-4 PG 7 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 796DE UT WOS:000293029600012 PM 21953193 ER PT J AU Polacco, BJ Purvine, SO Zink, EM LaVoie, SP Lipton, MS Summers, AO Miller, SM AF Polacco, Benjamin J. Purvine, Samuel O. Zink, Erika M. LaVoie, Stephen P. Lipton, Mary S. Summers, Anne O. Miller, Susan M. TI Discovering Mercury Protein Modifications in Whole Proteomes Using Natural Isotope Distributions Observed in Liquid Chromatography-Tandem Mass Spectrometry SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID POSTTRANSLATIONAL MODIFICATIONS; PEPTIDE IDENTIFICATIONS; SOFTWARE PACKAGE; MS; THROUGHPUT; STRATEGY; DATABASE; IONIZATION; SEARCH; GENOME AB The identification of peptides that result from post-translational modifications is critical for understanding normal pathways of cellular regulation as well as identifying damage from, or exposures to xenobiotics, i.e. the exposome. However, because of their low abundance in proteomes, effective detection of modified peptides by mass spectrometry (MS) typically requires enrichment to eliminate false identifications. We present a new method for confidently identifying peptides with mercury (Hg)-containing adducts that is based on the influence of mercury's seven stable isotopes on peptide isotope distributions detected by high-resolution MS. Using a pure protein and E. coli cultures exposed to phenyl mercuric acetate, we show the pattern of peak heights in isotope distributions from primary MS single scans efficiently identified Hg adducts in data from chromatographic separation coupled with tandem mass spectrometry with sensitivity and specificity greater than 90%. Isotope distributions are independent of peptide identifications based on peptide fragmentation (e.g. by SEQUEST), so both methods can be combined to eliminate false positives. Summing peptide isotope distributions across multiple scans improved specificity to 99.4% and sensitivity above 95%, affording identification of an unexpected Hg modification. We also illustrate the theoretical applicability of the method for detection of several less common elements including the essential element, selenium, as selenocysteine in peptides. Molecular & Cellular Proteomics 10: 10.1074/mcp.M110.004853, 1-13, 2011. C1 [Polacco, Benjamin J.; Miller, Susan M.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. [Purvine, Samuel O.; Zink, Erika M.; Lipton, Mary S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [LaVoie, Stephen P.; Summers, Anne O.] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. RP Polacco, BJ (reprint author), Univ Calif San Francisco, Dept Pharmaceut Chem, UCSF MC 2280, San Francisco, CA 94158 USA. EM Polacco@cgl.ucsf.edu RI Zink, Erika/E-2135-2014; OI Zink, Erika/0000-0003-0754-9816; Summers, Anne/0000-0003-4258-9696 FU Department of Energy, Office of Science, Environmental Remediation Science [DE-FG02-07ER64409, DE-FG02-07ER64408] FX This work was supported by grants from the Department of Energy, Office of Science, Environmental Remediation Science Program; DE-FG02-07ER64409 (to SMM), DE-FG02-07ER64408 (to AOS). NR 31 TC 4 Z9 4 U1 0 U2 12 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD AUG PY 2011 VL 10 IS 8 DI 10.1074/mcp.M110.004853 PG 13 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 800SG UT WOS:000293386400003 ER PT J AU Brahms, N Purdy, TP Brooks, DC Botter, T Stamper-Kurn, DM AF Brahms, Nathan Purdy, Thomas P. Brooks, DanielW. C. Botter, Thierry Stamper-Kurn, Dan M. TI Cavity-aided magnetic resonance microscopy of atomic transport in optical lattices SO NATURE PHYSICS LA English DT Article ID BOSE-EINSTEIN CONDENSATE; FERMI GAS; MOTT INSULATOR; SINGLE ATOMS; QUANTUM GAS; SPIN AB Ultracold atoms are emerging as an important platform for precision sensing and measurement, quantum information science, and simulations of condensed-matter phenomena. Microscopic imaging is a powerful tool for measuring cold-atom systems, enabling the readout of ultracold atomic simulators(1,2) and registers(3), the characterization of inhomogeneous environments(4), and the determination of spatially varying thermodynamic quantities(5-8). Cold-atom microscopy has recently been demonstrated with imaging resolution sufficient to detect and address single(9) or multiple(10) atoms at individual optical-lattice sites with lattice spacings of micrometres(11,12) and below(1,2,13,14). However, those methods, which rely either on the fluorescence(1,2,9,11-13) or ionization(10,14) of atoms, destroy the quantum states being measured and have limited dynamic range. Here we demonstrate magnetic resonance imaging of atomic gases in optical lattices, obtained by dispersively coupling atoms to a high-finesse optical cavity. We achieve state-sensitive, single-lattice-site images with high dynamic range. We also apply this technique to measure the non-equilibrium transport dynamics of the gas. C1 [Brahms, Nathan; Purdy, Thomas P.; Brooks, DanielW. C.; Botter, Thierry; Stamper-Kurn, Dan M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Stamper-Kurn, Dan M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Brahms, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM nbrahms@berkeley.edu RI Stamper-Kurn, Dan/B-5442-2015 OI Stamper-Kurn, Dan/0000-0002-4845-5835 FU NSF [PHY-0801827]; AFOSR; Miller Institute for Basic Science; Le Fonds Quebecois de la Recherche sur la Nature et les Technologies FX This work was supported by NSF Grant #PHY-0801827 and the AFOSR. D.M.S-K. acknowledges support from the Miller Institute for Basic Science, and T. B. acknowledges support from Le Fonds Quebecois de la Recherche sur la Nature et les Technologies. The authors thank A. M. Rey and K. Hazzard for discussions on the transport experiment. NR 27 TC 16 Z9 16 U1 1 U2 9 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 J9 NAT PHYS JI Nat. Phys. PD AUG PY 2011 VL 7 IS 8 BP 604 EP 607 DI 10.1038/NPHYS1967 PG 4 WC Physics, Multidisciplinary SC Physics GA 800IW UT WOS:000293354000010 ER PT J AU Tao, CG Jiao, LY Yazyev, OV Chen, YC Feng, JJ Zhang, XW Capaz, RB Tour, JM Zettl, A Louie, SG Dai, HJ Crommie, MF AF Tao, Chenggang Jiao, Liying Yazyev, Oleg V. Chen, Yen-Chia Feng, Juanjuan Zhang, Xiaowei Capaz, Rodrigo B. Tour, James M. Zettl, Alex Louie, Steven G. Dai, Hongjie Crommie, Michael F. TI Spatially resolving edge states of chiral graphene nanoribbons SO NATURE PHYSICS LA English DT Article ID SCANNING TUNNELING SPECTROSCOPY; CARBON NANOTUBES; GRAPHITE; METALLICITY AB A central question in the field of graphene-related research is how graphene behaves when it is patterned at the nanometre scale with different edge geometries. A fundamental shape relevant to this question is the graphene nanoribbon (GNR), a narrow strip of graphene that can have different chirality depending on the angle at which it is cut. Such GNRs have been predicted to exhibit a wide range of behaviour, including tunable energy gaps(1,2) and the presence of one-dimensional (1D) edge states(3-5) with unusual magnetic structure(6,7). Most GNRs measured up to now have been characterized by means of their electrical conductivity, leaving the relationship between electronic structure and local atomic geometry unclear(8-10). Here we present a sub-nanometre-resolved scanning tunnelling microscopy (STM) and spectroscopy (STS) study of GNRs that allows us to examine how GNR electronic structure depends on the chirality of atomically well-defined GNR edges. The GNRs used here were chemically synthesized using carbon nanotube (CNT) unzipping methods that allow flexible variation of GNR width, length, chirality, and substrate(11,12). Our STS measurements reveal the presence of 1D GNR edge states, the behaviour of which matches theoretical expectations for GNRs of similar width and chirality, including width-dependent energy splitting of the GNR edge state. C1 [Tao, Chenggang; Yazyev, Oleg V.; Chen, Yen-Chia; Feng, Juanjuan; Zhang, Xiaowei; Capaz, Rodrigo B.; Zettl, Alex; Louie, Steven G.; Crommie, Michael F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Tao, Chenggang; Yazyev, Oleg V.; Chen, Yen-Chia; Zhang, Xiaowei; Zettl, Alex; Louie, Steven G.; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Tao, Chenggang; Yazyev, Oleg V.; Chen, Yen-Chia; Zhang, Xiaowei; Zettl, Alex; Louie, Steven G.; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Jiao, Liying; Dai, Hongjie] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Jiao, Liying; Dai, Hongjie] Stanford Univ, Adv Mat Lab, Stanford, CA 94305 USA. [Feng, Juanjuan] Lanzhou Univ, Sch Phys Sci & Technol, Lanzhou 730000, Gansu, Peoples R China. [Capaz, Rodrigo B.] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, Brazil. [Tour, James M.] Rice Univ, Dept Chem, Houston, TX 77005 USA. [Tour, James M.] Rice Univ, Smalley Inst Nanoscale Sci & Technol, Houston, TX 77005 USA. RP Crommie, MF (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM crommie@berkeley.edu RI Yazyev, Oleg/A-4073-2008; Jiao, Liying/C-6307-2011; B, Rodrigo/N-7595-2014; Zettl, Alex/O-4925-2016; OI Yazyev, Oleg/0000-0001-7281-3199; Zettl, Alex/0000-0001-6330-136X; Tour, James/0000-0002-8479-9328 FU Office of Naval Research Multidisciplinary University Research Initiative (MURI) [N00014-09-1-1066, N00014-09-1-1064]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DMR-0705941]; Intel; MARCO MSD; CNPq; CAPES; FAPERJ; INCT FX Research supported by the Office of Naval Research Multidisciplinary University Research Initiative (MURI) award nos. N00014-09-1-1066 and N00014-09-1-1064 (GNR sample preparation and characterization, GNR modelling), by the Helios Solar Energy Research Center, which is supported by the Director, Office of Science, Office of Basic Energy Sciences of the US Department of Energy under contract no. DE-AC02-05CH11231 (STM instrumentation development and measurements), by the National Science Foundation award no. DMR-0705941 (software development to numerically simulate electron correlation effects), by Intel (development of GNR synthesis techniques), and by MARCO MSD (preliminary GNR screening through use of AFM and transport methods). R. B. C. acknowledges financial support from Brazilian agencies CNPq, CAPES, FAPERJ, and INCT. NR 27 TC 356 Z9 357 U1 38 U2 322 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 J9 NAT PHYS JI Nat. Phys. PD AUG PY 2011 VL 7 IS 8 BP 616 EP 620 DI 10.1038/NPHYS1991 PG 5 WC Physics, Multidisciplinary SC Physics GA 800IW UT WOS:000293354000013 ER PT J AU Razykov, TM Ferekides, CS Morel, D Stefanakos, E Ullal, HS Upadhyaya, HM AF Razykov, T. M. Ferekides, C. S. Morel, D. Stefanakos, E. Ullal, H. S. Upadhyaya, H. M. TI Solar photovoltaic electricity: Current status and future prospects SO SOLAR ENERGY LA English DT Article DE Solar; Photovoltaics; Wafer; Thin film; Photovoltaic market; Nanophotovoltaics ID MULTIPLE EXCITON GENERATION; CHEMICAL BATH DEPOSITION; AMORPHOUS-SILICON; ENERGY-CONVERSION; THIN-FILMS; BUFFER LAYER; MICROCRYSTALLINE SILICON; LIMITING EFFICIENCIES; AQUEOUS-ELECTROLYTE; HIGHLY EFFICIENT AB We review the technical progress made in the past several years in the area of mono-and polycrystalline thin-film photovoltaic (PV) technologies based on Si, III-V, II-VI, and I-III-VI(2) semiconductors, as well as nano-PV. PV electricity is one of the best options for sustainable future energy requirements of the world. At present, the PV market is growing rapidly at an annual rate of 35-40%, with PV production around 10.66 GW in 2009. Si and GaAs monocrystalline solar cell efficiencies are very close to the theoretically predicted maximum values. Mono-and polycrystalline wafer Si solar cells remain the predominant PV technology with module production cost around $1.50 per peak watt. Thin-film PV was developed as a means of substantially reducing the cost of solar cells. Remarkable progress has been achieved in this field in recent years. CdTe and Cu(In,Ga)Se(2) thin-film solar cells demonstrated record efficiencies of 16.5% and almost 20%, respectively. These values are the highest achieved for thin-film solar cells. Production cost of CdTe thin-film modules is presently around $0.76 per peak watt. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Razykov, T. M.] Uzbek Acad Sci, Sci Assoc Phys Sun, Phys Tech Inst, Tashkent 700084, Uzbekistan. [Razykov, T. M.; Ferekides, C. S.; Morel, D.; Stefanakos, E.] Univ S Florida, Dept Elect Engn, Tampa, FL 33620 USA. [Razykov, T. M.] Univ Kebangsaan Malaysia, Solar Energy Res Inst 43600, Bangi, Selangor, Malaysia. [Ullal, H. S.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. [Upadhyaya, H. M.] Univ Loughborough, CREST, Loughborough LE11 3TU, Leics, England. RP Razykov, TM (reprint author), Uzbek Acad Sci, Sci Assoc Phys Sun, Phys Tech Inst, G Mavlyanov St 2B, Tashkent 700084, Uzbekistan. EM razykov@uzsci.net NR 156 TC 345 Z9 348 U1 46 U2 340 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 AUG PY 2011 VL 85 IS 8 SI SI BP 1580 EP 1608 DI 10.1016/j.solener.2010.12.002 PG 29 WC Energy & Fuels SC Energy & Fuels GA 801KI UT WOS:000293437200002 ER PT J AU Fthenakis, VM Kim, HC AF Fthenakis, V. M. Kim, H. C. TI Photovoltaics: Life-cycle analyses SO SOLAR ENERGY LA English DT Article DE Photovoltaics; Life-cycle analysis; Life-cycle assessment; Environmental and health effects; Energy payback times ID GREENHOUSE-GAS EMISSIONS; PAY-BACK TIME; ENERGY PAYBACK; SILICON FEEDSTOCK; CO2 EMISSIONS; MODULES; CADMIUM; CDTE; SI AB Life-cycle analysis is an invaluable tool for investigating the environmental profile of a product or technology from cradle to grave. Such life-cycle analyses of energy technologies are essential, especially as material and energy flows are often interwoven, and divergent emissions into the environment may occur at different life-cycle-stages. This approach is well exemplified by our description of material and energy flows in four commercial PV technologies, i.e., mono-crystalline silicon, multi-crystalline silicon, ribbon-silicon, and cadmium telluride. The same life-cycle approach is applied to the balance of system that supports flat, fixed PV modules during operation. We also discuss the life-cycle environmental metrics for a concentration PV system with a tracker and lenses to capture more sunlight per cell area than the flat, fixed system but requires large auxiliary components. Select life-cycle risk indicators for PV, i.e., fatalities, injures, and maximum consequences are evaluated in a comparative context with other electricity-generation pathways. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Fthenakis, V. M.] Brookhaven Natl Lab, Photovolta Environm Res Ctr, Upton, NY 11973 USA. [Fthenakis, V. M.; Kim, H. C.] Columbia Univ, Ctr Life Cycle Anal, New York, NY USA. RP Fthenakis, VM (reprint author), Brookhaven Natl Lab, Photovolta Environm Res Ctr, Upton, NY 11973 USA. EM fthenakis@bnl.gov OI Kim, Hyung Chul/0000-0002-0992-4547 NR 57 TC 118 Z9 119 U1 8 U2 73 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 AUG PY 2011 VL 85 IS 8 SI SI BP 1609 EP 1628 DI 10.1016/j.solener.2009.10.002 PG 20 WC Energy & Fuels SC Energy & Fuels GA 801KI UT WOS:000293437200003 ER PT J AU Schlichting, KE Copeland-Johnson, TM Goodman, M Lipert, RJ Prozorov, T Liu, XP McKinley, TO Lin, ZQ Martin, JA Mallapragada, SK AF Schlichting, Kathryn E. Copeland-Johnson, Trishelle M. Goodman, Matthew Lipert, Robert J. Prozorov, Tanya Liu, Xunpei McKinley, Todd O. Lin, Zhiqun Martin, James A. Mallapragada, Surya K. TI Synthesis of a novel photopolymerized nanocomposite hydrogel for treatment of acute mechanical damage to cartilage SO ACTA BIOMATERIALIA LA English DT Article DE Nanocomposite; Hydrogel; Biomaterials; Injectable; Cartilage ID CALCIUM-PHOSPHATE NANOCOMPOSITES; ARTICULAR-CARTILAGE; CHONDROCYTE DEATH; CELL-DEATH; DEGENERATIVE ARTHRITIS; PLATEAU FRACTURES; TIBIAL PLAFOND; IMPACT INJURY; MATRIX DAMAGE; SINGLE IMPACT AB Intra-articular fractures initiate a cascade of pathobiological and pathomechanical events that culminate in post-traumatic osteoarthritis (PTOA). Hallmark features of PTOA include destruction of the cartilage matrix in combination with loss of chondrocytes and acute mechanical damage (AMD). Currently, treatment of intra-articular fractures essentially focuses completely on restoration of the macroanatomy of the joint. However, current treatment ignores AMD sustained by cartilage at the time of injury. We are exploring aggressive biomaterial-based interventions designed to treat the primary pathological components of AMD. This study describes the development of a novel injectable co-polymer solution that forms a gel at physiological temperatures that can be photocrosslinked, and can form a nanocomposite gel in situ through mineralization. The injectable co-polymer solution will allow the material to fill cracks in the cartilage after trauma. The mechanical properties of the nanocomposite are similar to those of native cartilage, as measured by compressive and shear testing. It thereby has the potential to mechanically stabilize and restore local structural integrity to acutely injured cartilage. Additionally, in situ mineralization ensures good adhesion between the biomaterial and cartilage at the interface, as measured through tensile and shear testing. Thus we have successfully developed a new injectable co-polymer which forms a nanocomposite in situ with mechanical properties similar to those of native cartilage, and which can bond well to native cartilage. This material has the potential to stabilize injured cartilage and prevent PTOA. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Liu, Xunpei; Mallapragada, Surya K.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Schlichting, Kathryn E.; Goodman, Matthew; Lin, Zhiqun; Mallapragada, Surya K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA USA. [Copeland-Johnson, Trishelle M.] Univ S Florida, Dept Chem Engn, Tampa, FL 33620 USA. [Lipert, Robert J.] Iowa State Univ, Inst Combinatorial Discovery, Ames, IA USA. [McKinley, Todd O.; Martin, James A.] Univ Iowa, Dept Orthopaed Surg & Rehabil, Ames, IA 50011 USA. [Prozorov, Tanya; Mallapragada, Surya K.] Ames Lab, Div Mat Sci & Engn, Ames, IA USA. RP Mallapragada, SK (reprint author), Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. EM suryakm@iastate.edu RI Lin, Zhiqun/G-6136-2011; Mallapragada, Surya/F-9375-2012 FU NSF [EEC 0851519]; Department of Energy; University of Iowa Vice Provost's office; NIH FX We would like to acknowledge Colin Paul who assisted with a lot of the initial work on this project through NSF-REU Grant EEC 0851519. We would like to acknowledge financial support from the Department of Energy's Science Undergraduate Laboratory Internship (DOE-SULI) program that supported Trishelle Cope-land-Johnson. Support from the University of Iowa Vice Provost's office and NIH CORT grant on Post-Traumatic Osteo-Arthritis is gratefully acknowledged. NR 33 TC 7 Z9 8 U1 0 U2 27 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 J9 ACTA BIOMATER JI Acta Biomater. PD AUG PY 2011 VL 7 IS 8 BP 3094 EP 3100 DI 10.1016/j.actbio.2011.04.010 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 799BW UT WOS:000293259500010 PM 21530694 ER PT J AU Michalska, K Cuff, ME Tesar, C Feldmann, B Joachimiak, A AF Michalska, Karolina Cuff, Marianne E. Tesar, Christine Feldmann, Brian Joachimiak, Andrzej TI Structure of 2-oxo-3-deoxygalactonate kinase from Klebsiella pneumoniae SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID MAMMALIAN GALACTOSE DEHYDROGENASE; SHOCK COGNATE PROTEIN; ESCHERICHIA-COLI; YEAST HEXOKINASE; CRYSTAL-STRUCTURES; SACCHAROMYCES-CEREVISIAE; SUBSTRATE-SPECIFICITY; LACTOCOCCUS-LACTIS; ASKHA SUPERFAMILY; ENTERIC BACTERIA AB In most organisms, efficient D-galactose utilization requires the highly conserved Leloir pathway that converts D-galactose to D-glucose 1-phosphate. However, in some bacterial and fungal species alternative routes of D-galactose assimilation have been identified. In the so-called De Ley-Doudoroff pathway, D-galactose is metabolized into pyruvate and D-glyceraldehyde 3-phosphate in five consecutive reactions carried out by specific enzymes. The penultimate step in this pathway involves the phosphorylation of 2-oxo-3-deoxygalactonate to 2-oxo-3-deoxygalactonate 6-phosphate catalyzed by 2-oxo-3-deoxygalactonate kinase, with ATP serving as a phosphoryl-group donor. Here, a crystal structure of 2-oxo-3-deoxygalactonate kinase from Klebsiella pneumoniae determined at 2.1 angstrom resolution is reported, the first structure of an enzyme from the De Ley-Doudoroff pathway. Structural comparison indicates that the enzyme belongs to the ASKHA (acetate and sugar kinases/hsc70/actin) family of phospho-transferases. The protein is composed of two alpha/beta domains, each of which contains a core common to all family members. Additional elements introduced between conserved structural motifs define the unique features of 2-oxo-3-deoxygalactonate kinase and possibly determine the biological function of the protein. C1 [Michalska, Karolina; Cuff, Marianne E.; Tesar, Christine; Feldmann, Brian; Joachimiak, Andrzej] Argonne Natl Lab, Biosci Div, Midw Ctr Struct Gen, Argonne, IL 60439 USA. [Cuff, Marianne E.; Joachimiak, Andrzej] Argonne Natl Lab, Biosci Div, Struct Biol Ctr, Argonne, IL 60439 USA. [Joachimiak, Andrzej] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. RP Joachimiak, A (reprint author), Argonne Natl Lab, Biosci Div, Midw Ctr Struct Gen, Argonne, IL 60439 USA. EM andrzejj@anl.gov FU National Institutes of Health [GM074942, GM094585]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357]; Foundation for Polish Science; Argonne, a US Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX We thank the members of the Structural Biology Center and the Midwest Center for Structural Genomics at Argonne National Laboratory for their help in conducting these experiments. This work was supported by National Institutes of Health grants GM074942 and GM094585, by the US Department of Energy, Office of Biological and Environmental Research under contract DE-AC02-06CH11357 (AJ) and by a scholarship from the Foundation for Polish Science (KM). The submitted manuscript has been created by UChicago Argonne LLC, Operator of Argonne National Laboratory ('Argonne'). Argonne, a US Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. NR 78 TC 3 Z9 3 U1 0 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD AUG PY 2011 VL 67 BP 678 EP 689 DI 10.1107/S0907444911021834 PN 8 PG 12 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 798GF UT WOS:000293189900002 PM 21795809 ER PT J AU Xing, YL Shu, CW AF Xing, Yulong Shu, Chi-Wang TI High-order finite volume WENO schemes for the shallow water equations with dry states SO ADVANCES IN WATER RESOURCES LA English DT Article DE Shallow water equations; Well-balanced; WENO scheme; Finite volume method; Positivity-preserving ID DISCONTINUOUS GALERKIN METHODS; SAINT-VENANT SYSTEM; HYPERBOLIC SYSTEMS; SOURCE TERMS; EFFICIENT IMPLEMENTATION; CONSERVATION-LAWS; NUMERICAL-METHODS; FLOWS; DISCRETIZATIONS; RECONSTRUCTION AB The shallow water equations are used to model flows in rivers and coastal areas, and have wide applications in ocean, hydraulic engineering, and atmospheric modeling. These equations have still water steady state solutions in which the flux gradients are balanced by the source term. It is desirable to develop numerical methods which preserve exactly these steady state solutions. Another main difficulty usually arising from the simulation of dam breaks and flood waves flows is the appearance of dry areas where no water is present. If no special attention is paid, standard numerical methods may fail near dry/wet front and produce non-physical negative water height. A high-order accurate finite volume weighted essentially non-oscillatory (WENO) scheme is proposed in this paper to address these difficulties and to provide an efficient and robust method for solving the shallow water equations. A simple, easy-to-implement positivity-preserving limiter is introduced. One- and two-dimensional numerical examples are provided to verify the positivity-preserving property, well-balanced property, high-order accuracy, and good resolution for smooth and discontinuous solutions. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Xing, Yulong] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. [Xing, Yulong] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Shu, Chi-Wang] Brown Univ, Div Appl Math, Providence, RI 02912 USA. RP Xing, YL (reprint author), Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. EM xingy@math.utk.edu; shu@dam.brown.edu RI xing, yulong/C-1484-2011; Shu, Chi-Wang/A-3216-2013 OI Shu, Chi-Wang/0000-0001-7720-9564 FU Office of Advanced Scientific Computing Research; US Department of Energy; DOE [DE-FG02-08ER25863]; NSF [DMS-0809086]; [DE-AC05-00OR22725] FX Research is sponsored by the Office of Advanced Scientific Computing Research; US Department of Energy. The work was performed at the ORNL, which is managed by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725.; Research supported by DOE Grant DE-FG02-08ER25863 and NSF Grant DMS-0809086. NR 43 TC 25 Z9 26 U1 0 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD AUG PY 2011 VL 34 IS 8 BP 1026 EP 1038 DI 10.1016/j.advwatres.2011.05.008 PG 13 WC Water Resources SC Water Resources GA 799XU UT WOS:000293320700008 ER PT J AU Feldberg, SW AF Feldberg, Stephen W. TI Surprising Effect of Uncompensated Resistance on the Cyclic Voltammetric Responses for a Reversible Surface-Confined and Uniformly Accessible Redox Couple SO ANALYTICAL CHEMISTRY LA English DT Article ID MODIFIED ELECTRODES; CENTERS; LAYER AB A traditional diagnostic for cyclic voltammetric responses is the plot of the peak current i(peak) vs the scan rate vertical bar v vertical bar or vs vertical bar v vertical bar(1/2). For a reversible redox couple with redox moieties freely diffusing in bulk solution, a plot of i(peak) vs vertical bar v vertical bar(1/2) will be linear; for a surface-confined and uniformly accessible reversible couple, a plot of i(peak) vs vertical bar v vertical bar will be linear; however, if there is significant uncompensated resistance, it is the plot of i(peak) vs vertical bar v vertical bar(1/2) that will be linear even if the redox species are surface confined. The present work offers a theoretical basis for this result. C1 [Feldberg, Stephen W.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Feldberg, SW (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. FU Chemistry Department, Brookhaven National Laboratory FX I am indebted to Royce Murray, Department of Chemistry, University of North Carolina, Chapel Hill, for supporting my visits to UNC (2002-2011). John Miller and the Chemistry Department, Brookhaven National Laboratory, are also thanked for their support of my guest appointment in that department. I would also like to thank both reviewers for valuable comments. NR 11 TC 7 Z9 7 U1 3 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD AUG 1 PY 2011 VL 83 IS 15 BP 5851 EP 5856 DI 10.1021/ac200382v PG 6 WC Chemistry, Analytical SC Chemistry GA 798ZV UT WOS:000293252500009 PM 21671601 ER PT J AU Teisseyre, TZ Urban, J Halpern-Manners, NW Chambers, SD Bajaj, VS Svec, F Pines, A AF Teisseyre, Thomas Z. Urban, Jiri Halpern-Manners, Nicholas W. Chambers, Stuart D. Bajaj, Vikram S. Svec, Frantisek Pines, Alexander TI Remotely Detected NMR for the Characterization of Flow and Fast Chromatographic Separations Using Organic Polymer Monoliths SO ANALYTICAL CHEMISTRY LA English DT Article ID PERFORMANCE LIQUID-CHROMATOGRAPHY; MAGNETIC-RESONANCE-SPECTROSCOPY; LARGE SURFACE-AREA; EFFICIENT SEPARATION; CAPILLARY COLUMNS; STATIONARY PHASES; SMALL MOLECULES; MICROSEPARATIONS; MRI; VISUALIZATION AB An application of remotely detected magnetic resonance imaging is demonstrated for the characterization of flow and the detection of fast, small molecule separations within hypercrosslinked polymer monoliths. The hyper-cross-linked monoliths exhibited excellent ruggedness, with a transit time relative standard deviation of less than 2.1%, even after more than 300 column volumes were pumped through at high pressure and flow. Magnetic resonance imaging enabled high. resolution intensity and velocity-encoded images of mobile phase flow through the monolith. The images confirm that the presence of a polymer monolith within the capillary disrupts the parabolic laminar flow profile that is characteristic of mobile phase flow within an open tube. As a result, the mobile phase and analytes are equally distributed in the radial direction throughout the monolith. Also, in-line monitoring of chromatographic separations of small molecules at high flow rates is shown. The coupling of monolithic chromatography columns and NMR provides both real-time peak detection and chemical shift information for small aromatic molecules. These experiments demonstrate the unique power of magnetic resonance, both direct and remote, in studying chromatographic processes. C1 [Urban, Jiri; Halpern-Manners, Nicholas W.; Chambers, Stuart D.; Bajaj, Vikram S.; Pines, Alexander] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Teisseyre, Thomas Z.; Pines, Alexander] Univ Calif Berkeley, Bioengn Program, Berkeley, CA 94133 USA. [Teisseyre, Thomas Z.; Pines, Alexander] Univ Calif San Francisco, San Francisco, CA 94133 USA. [Teisseyre, Thomas Z.; Halpern-Manners, Nicholas W.; Bajaj, Vikram S.; Pines, Alexander] EO Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Bajaj, VS (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM vsbajaj@lbl.gov RI Urban, Jiri/D-1133-2014 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Institute of Health [GM48364]; National Science Foundation FX This entire 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. Financial support of J.U. and S.D.C. by a grant of the National Institute of Health (GM48364) is gratefully acknowledged. We also acknowledge the Agilent Foundation for their generous unrestricted gift. T.Z.T. gratefully acknowledges support from the National Science Foundation Graduate Research Fellowship. T.Z.T., J.U., N.W. H.-M., and S.D.C. contributed equally to this manuscript. NR 35 TC 22 Z9 22 U1 0 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 EI 1520-6882 J9 ANAL CHEM JI Anal. Chem. PD AUG 1 PY 2011 VL 83 IS 15 BP 6004 EP 6010 DI 10.1021/ac2010108 PG 7 WC Chemistry, Analytical SC Chemistry GA 798ZV UT WOS:000293252500029 PM 21651234 ER PT J AU Mao, P Wang, HT Yang, PD Wang, DJ AF Mao, Pan Wang, Hung-Ta Yang, Peidong Wang, Daojing TI Multinozzle Emitter Arrays for Nanoelectrospray Mass Spectrometry SO ANALYTICAL CHEMISTRY LA English DT Article ID SINGLE-CELL ANALYSIS; ELECTROSPRAY-IONIZATION; MICROFLUIDIC DEVICE; NANOFLOW REGIME; MICROCHIP; MS; PERFORMANCE; CHEMISTRY; NOZZLE; TIPS AB Mass spectrometry (MS) is the enabling technology for proteomics and metabolomics. However, dramatic improvements in both sensitivity and throughput are still required to achieve routine MS-based single cell proteomics and metabolomics. Here, we report the silicon-based monolithic multinozzle emitter array (MEA) and demonstrate its proof-of-principle applications in high-sensitivity and high-throughput nanoelectrospray mass spectrometry. Our MEA consists of 96 identical 10-nozzle emitters in a circular array on a 3 in. silicon chip. The geometry and configuration of the emitters, the dimension and number of the nozzles, and the micropillar arrays embedded in the main channel can be systematically and precisely controlled during the microfabrication process. Combining electrostatic simulation and experimental testing, we demonstrated that sharpened-end geometry at the stem of the individual multinozzle emitter significantly enhanced the electric fields at its protruding nozzle tips, enabling sequential nanoelectrospray for the high-density emitter array. We showed that electrospray current of the multinozzle emitter at a given total flow rate was approximately proportional to the square root of the number of its spraying-nozzles, suggesting the capability of high MS sensitivity for multinozzle emitters. Using a conventional Z-spray mass spectrometer, we demonstrated reproducible MS detection of peptides and proteins for serial MEA emitters, achieving sensitivity and stability comparable to the commercial capillary emitters. Our robust silicon-based MEA chip opens up the possibility of a fully integrated microfluidic system for ultrahigh-sensitivity and ultrahigh-throughput proteomics and metabolomics. C1 [Mao, Pan; Wang, Daojing] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wang, Hung-Ta; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Wang, DJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd,MS 977, Berkeley, CA 94720 USA. EM djwang@lbl.gov FU Office of Science, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Institutes of Health [R21GM077870] FX P.M. and H.-T.W. contributed equally to this work We thank Dr. Woong Kim and Dr. Zhaoyu Zhang for technical assistance, Dr. Jian Jin for discussion, and UC-Berkeley Marvell Nanofabrication Laboratory for facility access. This work was supported by the Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and in part by the National Institutes of Health Grant R21GM077870 (to D.W.). NR 35 TC 20 Z9 22 U1 3 U2 47 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD AUG 1 PY 2011 VL 83 IS 15 BP 6082 EP 6089 DI 10.1021/ac2011813 PG 8 WC Chemistry, Analytical SC Chemistry GA 798ZV UT WOS:000293252500040 PM 21728281 ER PT J AU Gomer, NR Gordon, CM Lucey, P Sharma, SK Carter, JC Angel, SM AF Gomer, Nathaniel R. Gordon, Christopher M. Lucey, Paul Sharma, Shiv K. Carter, J. Chance Angel, S. Michael TI Raman Spectroscopy Using a Spatial Heterodyne Spectrometer: Proof of Concept SO APPLIED SPECTROSCOPY LA English DT Article DE Raman spectroscopy; Fourier transform spectroscopy; FT Raman; Interferometry; Standoff Raman; Ultraviolet Raman; UV Raman AB The use of a spatial heterodyne interferometer-based spectrometer (SHS) for Raman spectroscopy is described. The motivation for this work is to develop a small, rugged, high-resolution ultraviolet (UV) Raman spectrometer that is compatible with pulsed laser sources and that is suitable for planetary space missions. UV Raman is a particular technical challenge for space applications because dispersive (grating) approaches require large spectrographs and very narrow slits to achieve the spectral resolution required to maximize the potential of Raman spectroscopy. The heterodyne approach of the SHS has only a weak coupling of resolution and throughput, so a high-resolution UV SHS can both be small and employ a wide slit to maximize throughput. The SHS measures all optical path differences in its interferogram simultaneously with a detector array, so the technique is compatible with gated detection using pulsed lasers, important to reject ambient background and mitigate fluorescence (already low in the UV) that might be encountered on a planetary surface where samples are uncontrolled. The SHS has no moving parts, and as the spectrum is heterodyned around the laser wavelength, it is particularly suitable for Raman measurements. In this preliminary report we demonstrate the ability to measure visible wavelength Raman spectra of liquid and solid materials using an SHS Raman spectrometer and a visible laser. Spectral resolution and bandpass are also discussed. Separation of anti-Stokes and Stokes Raman bands is demonstrated using two different approaches. Finally spectral bandpass doubling is demonstrated by forming an interference pattern in both directions on the ICCD detector followed by analysis using a two-dimensional Fourier transform. C1 [Gomer, Nathaniel R.; Gordon, Christopher M.; Angel, S. Michael] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Lucey, Paul; Sharma, Shiv K.] Univ Hawaii, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Carter, J. Chance] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Angel, SM (reprint author), Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. EM angel@mail.chem.sc.edu OI Angel, Stanley/0000-0002-0328-0568 FU NSF [CHE 0526821] FX The authors of this study would like to thank NSF for funding this research under CHE 0526821. NR 10 TC 17 Z9 17 U1 9 U2 72 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 5320 SPECTRUM DRIVE SUITE C, FREDERICK, MD 21703 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD AUG PY 2011 VL 65 IS 8 BP 849 EP 857 DI 10.1366/11-06298 PG 9 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 798LD UT WOS:000293206800004 PM 21819774 ER PT J AU Zhang, L Zhang, ZC Wu, HM Amine, K AF Zhang, Lu Zhang, Zhengcheng Wu, Huiming Amine, Khalil TI Novel redox shuttle additive for high-voltage cathode materials SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID RECHARGEABLE LITHIUM BATTERIES; ELECTROCHEMICAL OVERCHARGE PROTECTION; LI-ION BATTERIES; POLYMER ELECTROLYTE; PHOSPHATE; CELLS AB A high voltage redox shuttle additive, tetraethyl-2,5-di-tert-butyl-1,4-phenylene diphosphate (TEDBPDP), has been synthesized and explored as an overcharge protection additive for lithium-ion cells. Cyclic voltammetry results indicate that the new shuttle molecule exhibits an oxidation potential at 4.8 V vs. Li/Li+, the highest one of any redox shuttles ever synthesized and reported in the literature. The charge-discharge tests for lithium ion cells with LiMn2O4 and Li1.2Ni0.15Co0.1Mn0.55O2 as cathode materials indicated that the TEDBPDP additive can provide successful overcharge protection at 4.75 V vs. Li/Li+, which is a suitable redox shuttle additive for high voltage cathode materials. In addition, the incorporated organophosphate groups in the molecule structure can provide an additional safety feature as a flame retardant additive, making this high-voltage redox shuttle even more attractive. C1 [Zhang, Lu; Zhang, Zhengcheng; Wu, Huiming; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Zhang, L (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zzhang@anl.gov RI Amine, Khalil/K-9344-2013 FU U.S. Department of Energy under the FreedomCAR and Vehicle Technologies Office; UChicago Argonne, LLC [DE-AC02-06CH11357] FX This research is supported by U.S. Department of Energy under the Advanced Battery Research for Transportation program (ABR), FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. NR 26 TC 34 Z9 34 U1 2 U2 75 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2011 VL 4 IS 8 BP 2858 EP 2862 DI 10.1039/c0ee00733a PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 798NA UT WOS:000293213600030 ER PT J AU Reindl, W Deng, K Gladden, JM Cheng, G Wong, A Singer, SW Singh, S Lee, JC Yao, CH Hazen, TC Singh, AK Simmons, BA Adams, PD Northen, TR AF Reindl, W. Deng, K. Gladden, J. M. Cheng, G. Wong, A. Singer, S. W. Singh, S. Lee, J. -C. Yao, C. -H. Hazen, T. C. Singh, A. K. Simmons, B. A. Adams, P. D. Northen, T. R. TI Colloid-based multiplexed screening for plant biomass-degrading glycoside hydrolase activities in microbial communities SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID INITIATOR MASS-SPECTROMETRY; CONTINUOUS FLUOROMETRIC-DETERMINATION; WAVELENGTH FLUORESCENT SUBSTRATE; CELLULASE ACTIVITY; ASSAY; DISCOVERY; FUELS AB The enzymatic hydrolysis of polysaccharides into fermentable sugars is a crucial step in the conversion of biomass to lignocellulosic biofuels. An efficient hydrolysis is highly dependent on the identification and characterization of optimal glycoside hydrolases. However, existing techniques for characterizing activity are limited by the range of reaction conditions that can be used, sample complexity, and throughput. The method we present is a multiplexed approach based on nanostructure-initiator mass spectrometry (NIMS) that allows for the rapid analysis of several glycolytic activities in parallel under diverse assay conditions. By forming colloids, it was possible to perform aqueous reactions in tubes and microwell plates despite the substrate analogs' hydrophobic perfluorinated tags. This method was validated by analyzing standard enzymatic parameters (temperature, pH, and kinetics) of beta-glucosidase and beta-xylosidase in separate setups. The multiplexity of this assay system was demonstrated by the simultaneous analysis of beta-glucosidase and beta-xylosidase activities, which was then used to profile environmental samples. Enzymes secreted by microbial communities within these samples were extracted by washing the sample with buffer. Enzymatic activities were directly detected within this crude extract without any further sample pretreatment steps. The multiplexed analysis of beta-glucosidase, exo-/endoglucanase, and xylanase activities was applied for a detailed characterization of previously unknownglycoside hydrolase activities. The results show the suitability of the described method for the rapid screening of crude environmental samples under a wide range of conditions to determine enzyme activities from the microbial communities present within these samples. C1 [Reindl, W.; Deng, K.; Gladden, J. M.; Cheng, G.; Wong, A.; Singer, S. W.; Singh, S.; Hazen, T. C.; Singh, A. K.; Simmons, B. A.; Adams, P. D.; Northen, T. R.] Univ Calif Berkeley, Lawrence Berkeley Lab, JBEI, Phys Biosci Div, Berkeley, CA 94720 USA. [Reindl, W.; Northen, T. R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Bioenergy GTL & Struct Biol, Div Life Sci, Berkeley, CA 94720 USA. [Deng, K.; Cheng, G.; Wong, A.; Singh, S.; Singh, A. K.; Simmons, B. A.] Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA USA. [Deng, K.; Cheng, G.; Wong, A.; Singh, S.; Singh, A. K.; Simmons, B. A.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. [Gladden, J. M.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Singer, S. W.; Hazen, T. C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Geochem, Div Earth Sci, Berkeley, CA 94720 USA. [Lee, J. -C.; Yao, C. -H.] Natl Hlth Res Inst, Inst Biotechnol & Pharmaceut Res, Zhunan Town, Miaoli County, Taiwan. RP Reindl, W (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, JBEI, Phys Biosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM TRNorthen@lbl.gov RI Northen, Trent/K-3139-2012; Lee, Jinq-Chyi/C-1373-2010; Adams, Paul/A-1977-2013; Hazen, Terry/C-1076-2012; OI Adams, Paul/0000-0001-9333-8219; Hazen, Terry/0000-0002-2536-9993; Northen, Trent/0000-0001-8404-3259; Simmons, Blake/0000-0002-1332-1810 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; US Department of Energy [DE-AC02-05CH11231]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; EPSCoR through University of Tennessee FX This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the US Department of Energy. We thank Joshua Park and Supratim Datta (Joint BioEnergy Institute, Emeryville, CA) for providing recombinant enzymes and helpful discussions. G.C. thanks Dr Yuri Melnichenko for discretionary neutron beam time at Oak Ridge National Laboratory (ORNL). Measurements at ORNL's High Flux Isotope Reactor were sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy and the EPSCoR Neutron Travel Fellowship through University of Tennessee to G.C. NR 33 TC 15 Z9 15 U1 0 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2011 VL 4 IS 8 BP 2884 EP 2893 DI 10.1039/c1ee01112j PG 10 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 798NA UT WOS:000293213600034 ER PT J AU Martinson, ABF Giebink, NC Wiederrecht, GP Rosenmann, D Wasielewski, MR AF Martinson, Alex B. F. Giebink, Noel C. Wiederrecht, Gary P. Rosenmann, D. Wasielewski, Michael R. TI Planar dye-sensitized photovoltaics through cavity mode enhancement SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID HIGH-CONVERSION-EFFICIENCY; ATOMIC LAYER DEPOSITION; SOLAR-CELLS; ELECTRON INJECTION; MASS-TRANSPORT; DESIGN; FILMS; TIO2; RECOMBINATION AB Dye-sensitized solar cells (DSSCs) differ from conventional solar cells in that they rely on a large area nanoparticle network to achieve sufficient absorption of sunlight. Although highly successful to date, this approach limits the opportunities to further increase DSSC power efficiency because it necessarily restricts the choice of redox shuttles to those compatible with the long electron transit times and ample recombination opportunities inherent to the nanoparticle-based architecture. Here, we use a resonantly coupled cavity scheme to demonstrate planar, thin-film DSSCs with a polarized, monochromatic incident photon to current efficiency of 17% from a single monolayer of a conventional Ru-dye. Upon illumination on resonance we observe open-circuit voltages that reach 1 V and thereby approach the theoretical limit for open-circuit voltage set by the dye and redox shuttle energy levels. The results supply new insight into processes presently limiting DSSCs and point to novel strategies to overcome these losses. C1 [Martinson, Alex B. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Martinson, Alex B. F.; Giebink, Noel C.; Wiederrecht, Gary P.; Wasielewski, Michael R.] Northwestern Univ, Argonne NW Solar Energy Res ANSER Ctr, Evanston, IL 60208 USA. [Giebink, Noel C.; Wiederrecht, Gary P.; Rosenmann, D.; Wasielewski, Michael R.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Giebink, Noel C.; Wasielewski, Michael R.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Martinson, ABF (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM martinson@anl.gov OI Martinson, Alex/0000-0003-3916-1672 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059]; Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy Office of Science Laboratory [DE-AC02-06CH11357] FX This work was supported as part of the Argonne-Northwestern Solar Energy Research (ANSER) Center, 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-SC0001059. Use of the Center for Nanoscale Materials was supported by the Department of Energy, Office of Basic Energy Sciences through Contract No. DE-AC02-06CH11357. The electron microscopy was accomplished at the Electron Microscopy Center for Materials Research at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. The authors also thank Mike Pellin for useful discussions and Jeff Elam for use of the spectrophotometer. NR 44 TC 3 Z9 3 U1 0 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2011 VL 4 IS 8 BP 2980 EP 2985 DI 10.1039/c1ee01578h PG 6 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 798NA UT WOS:000293213600046 ER PT J AU Small, YA DuBois, DL Fujita, E Muckerman, JT AF Small, Yolanda A. DuBois, Daniel L. Fujita, Etsuko Muckerman, James T. TI Proton management as a design principle for hydrogenase-inspired catalysts SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID MOLECULAR-ORBITAL METHODS; HYDRIDE DONOR ABILITIES; GAUSSIAN-TYPE BASIS; FEFE HYDROGENASES; ORGANIC-MOLECULES; ACTIVE-SITES; COMPLEXES M; DENSITY; OXIDATION; ENERGIES AB The properties of the hydrogenase-inspired [Ni(PNP)(2)](2+) (PNP = Et(2)PCH(2)NMeCH(2)PEt(2)) catalyst for homogeneous hydrogen oxidation in acetonitrile solution are explored from a theoretical perspective for hydrogen production. The defining characteristic of this catalyst is the presence of pendent bases in the second coordination sphere that function as proton relays between the solution and the metal center. DFT calculations of the possible intermediates along proposed catalytic pathways are carried out and used to construct coupled Pourbaix diagrams of the redox processes and free-energy profiles along the reaction pathways. Analysis of the coupled Pourbaix diagrams reveals insights into the intermediate species and the mechanisms favored at different pH values of the solution. Consideration of the acid-base behavior of the metal hydride and H(2) adduct species imposes additional constraints on the reaction mechanism, which can involve intramolecular as well as intermolecular proton-coupled electron-transfer steps. The efficacy of the catalyst is shown to depend critically on the pK(a) values of these potential intermediates, as they control both the species in solution at a given pH and the free-energy profile of reaction pathways. Optimal relationships among these pK(a) values can be identified, and it is demonstrated that "proton management", i.e., the manipulation of these pK(a) values (e.g., through choice of metal or substituents on ligands), can serve as a design principle for improved catalytic behavior. C1 [Small, Yolanda A.; Muckerman, James T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [DuBois, Daniel L.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. [Fujita, Etsuko; Muckerman, James T.] Natl Lab, Chem Dept, Upton, NY 11973 USA. RP Small, YA (reprint author), CUNY York Coll, Dept Chem, Jamaica, NY 11451 USA. RI Muckerman, James/D-8752-2013; Fujita, Etsuko/D-8814-2013 FU U.S. Department of Energy (DOE) [DE-AC02-98CH10886]; Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences; DOE Scientific User Facilities Division, Office of Basic Energy Sciences; DOE under the BES Hydrogen Fuel Initiative; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX The work at Brookhaven National Laboratory is funded under contract DE-AC02-98CH10886 with the U.S. Department of Energy (DOE). Research in the BNL Chemistry Department was supported by its Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences; research in the BNL Center for Functional Nanomaterials (CFN) was supported by the DOE Scientific User Facilities Division, Office of Basic Energy Sciences. Computational resources were provided by the BNL CFN. E. F. and J. T. M. also thank the DOE for funding under the BES Hydrogen Fuel Initiative. The authors thank Norman Sutin, Jonathan Skone and Brian Cohen for helpful and insightful comments on preliminary versions of the manuscript. D. L. D. gratefully acknowledges the support 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. NR 49 TC 29 Z9 29 U1 1 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2011 VL 4 IS 8 BP 3008 EP 3020 DI 10.1039/c1ee01170g PG 13 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 798NA UT WOS:000293213600050 ER PT J AU Mason, JA Sumida, K Herm, ZR Krishna, R Long, JR AF Mason, Jarad A. Sumida, Kenji Herm, Zoey R. Krishna, Rajamani Long, Jeffrey. R. TI Evaluating metal-organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID FLUE-GAS; HYDROGEN STORAGE; CO2 CAPTURE; MOLECULAR SIMULATIONS; COORDINATION POLYMER; SORPTION PROPERTIES; ZEOLITE 13X; SITES; SEPARATION; BINDING AB Two representative metal-organic frameworks, Zn4O(BTB)(2)(BTB3- = 1,3,5-benzenetribenzoate; MOF-177) and Mg-2(dobdc) (dobdc(4-) = 1,4-dioxido-2,5-benzenedicarboxylate; Mg-MOF-74, CPO-27-Mg), are evaluated in detail for their potential use in post-combustion CO2 capture via temperature swing adsorption (TSA). Low-pressure single-component CO2 and N-2 adsorption isotherms were measured every 10 degrees C from 20 to 200 degrees C, allowing the performance of each material to be analyzed precisely. In order to gain a more complete understanding of the separation phenomena and the thermodynamics of CO2 adsorption, the isotherms were analyzed using a variety of methods. With regard to the isosteric heat of CO2 adsorption, Mg-2(dobdc) exhibits an abrupt drop at loadings approaching the saturation of the Mg2+ sites, which has significant implications for regeneration in different industrial applications. The CO2/N-2 selectivities were calculated using ideal adsorbed solution theory (IAST) for MOF-177, Mg-2(dobdc), and zeolite NaX, and working capacities were estimated using a simplified TSA model. Significantly, MOF-177 fails to exhibit a positive working capacity even at regeneration temperatures as high as 200 degrees C, while Mg-2(dobdc) reaches a working capacity of 17.6 wt% at this temperature. Breakthrough simulations were also performed for the three materials, demonstrating the superior performance of Mg-2(dobdc) over MOF-177 and zeolite NaX. These results show that the presence of strong CO2 adsorption sites is essential for a metal-organic framework to be of utility in post-combustion CO2 capture via a TSA process, and present a methodology for the evaluation of new metal-organic frameworks via analysis of single-component gas adsorption isotherms. C1 [Mason, Jarad A.; Sumida, Kenji; Herm, Zoey R.; Long, Jeffrey. R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Mason, Jarad A.; Sumida, Kenji; Herm, Zoey R.; Long, Jeffrey. R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Krishna, Rajamani] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands. RP Mason, JA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM r.krishna@uva.nl; jrlong@berkeley.edu RI Sumida, Kenji/E-7542-2011; Krishna, Rajamani/A-1098-2012; OI Krishna, Rajamani/0000-0002-4784-8530; Sumida, Kenji/0000-0003-0215-5922 FU Advanced Research Projects Agency - Energy (ARPA-E), U.S. Department of Energy; NSF FX This research was funded by the Advanced Research Projects Agency - Energy (ARPA-E), U.S. Department of Energy. We thank Prof. Berend Smit, Dr Abhoyjit S. Bhown, and Dr Sergey N. Maximoff for helpful discussions. We also thank NSF for providing graduate fellowship support (J.A.M.). NR 85 TC 362 Z9 363 U1 44 U2 337 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD AUG PY 2011 VL 4 IS 8 BP 3030 EP 3040 DI 10.1039/c1ee01720a PG 11 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 798NA UT WOS:000293213600052 ER PT J AU Jaisi, DP Kukkadapu, RK Stout, LM Varga, T Blake, RE AF Jaisi, Deb P. Kukkadapu, Ravi K. Stout, Lisa M. Varga, Tamas Blake, Ruth E. TI Biotic and Abiotic Pathways of Phosphorus Cycling in Minerals and Sediments: Insights from Oxygen Isotope Ratios in Phosphate SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID MARINE-SEDIMENTS; WATER; LAKE AB A key question to address in the development of oxygen isotope ratios in phosphate (delta(18)O(p)) as a tracer of biogeochemical cycling of phosphorus in ancient and modern environments is the nature of isotopic signatures associated with uptake and cycling of mineral-bound phosphate by microorganisms. Here, we present experimental results aimed at understanding the biotic and abiotic pathways of P cycling during biological uptake of phosphate sorbed to ferrihydrite and the selective uptake of sedimentary phosphate phases by Escherichia coli and Marinobacter aquaeolei. Results indicate that a significant fraction of ferrihydrite-bound phosphate is biologically available. The fraction of phosphate taken up by E. coli attained an equilibrium isotopic composition in a short time (<50 h) due to efficient O-isotope exchange (between O in PO(4) and O in water; that is, actual breaking and reforming of P-O bonds) (biotic pathway). The difference in isotopic composition between newly equilibrated aqueous and residual sorbed phosphate groups promoted the ion exchange (analogous to isotopic mixing) of intact phosphate ions (abiotic pathway) so that this difference gradually became negligible. In sediment containing different P phases, E. coli extracted loosely sorbed phosphate first, whereas M. aquaeolei preferred Fe-oxide-bound phosphate. The presence,of bacteria always imprinted a biotic isotopic signature on the P phase that was taken up and cycled. For example, the delta(18)O(p) value of loosely sorbed phosphate shifted gradually toward equilibrium isotopic composition. The delta(18)O(p) value of Fe-oxide-bound phosphate, however, showed only slight changes initially but, when new Fe-oxides were formed, coprecipitated/occluded phosphate retained delta(18)O values of the aqueous phosphate at the time of formation of new Fe oxides. Concentrations and isotopic compositions of authigenic and detrital phosphates did not chan e, suggesting that these phosphate phases were not utilized by bacteria. These findings support burgeoning applications of delta(18)O(p) as a tracer of phosphorus cycling in sediments, soils, and aquatic environments and as an indicator of paleo- environmental conditions. C1 [Jaisi, Deb P.; Stout, Lisa M.; Blake, Ruth E.] Yale Univ, Dept Geol & Geophys, New Haven, CT 06520 USA. [Kukkadapu, Ravi K.; Varga, Tamas] Pacific NW Natl Lab, EMSL, Richland, WA 99352 USA. RP Jaisi, DP (reprint author), Univ Delaware, Dept Plant & Soil Sci, Newark, DE 19716 USA. EM jaisi@udel.edu OI Stout, Lisa/0000-0001-5419-5091 FU NSF [EAR-0746241]; Yale University; Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory; US Department of Energy [DE-AC06-76RLO 1830] FX This research was supported by grants from the NSF (EAR-0746241) to R.E.B, and Interdepartmental Bateman Postdoctoral Fellowship from Yale University to D.P.J. Mossbauer analysis and XRD measurements of the samples were performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the US Department of Energy by the Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. NR 34 TC 17 Z9 18 U1 4 U2 106 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD AUG 1 PY 2011 VL 45 IS 15 BP 6254 EP 6261 DI 10.1021/es200456e PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 798IK UT WOS:000293196400011 PM 21732604 ER PT J AU Yang, YM Small, MJ Ogretim, EO Gray, DD Bromhal, GS Strazisar, BR Wells, AW AF Yang, Ya-Mei Small, Mitchell J. Ogretim, Egemen O. Gray, Donald D. Bromhal, Grant S. Strazisar, Brian R. Wells, Arthur W. TI Probabilistic Design of a Near-Surface CO2 Leak Detection System SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CARBON SEQUESTRATION SITES; SHALLOW SUBSURFACE; VADOSE ZONE; DIOXIDE; RESPIRATION; TRANSPORT; SEEPAGE; TECHNOLOGIES; STORAGE; MODELS AB A methodology is developed for predicting the performance of near-surface CO2 leak detection systems at geologic sequestration sites. The methodology integrates site characterization and modeling to predict the statistical properties of natural CO2 fluxes, the transport of CO2 from potential subsurface leakage points, and the detection of CO2 surface fluxes by the monitoring network. The probability of leak detection is computed as the probability that the leakage signal is sufficient to increase the total flux beyond a statistically determined threshold. The methodology is illustrated for a highly idealized site monitored with CO2 accumulation chamber measurements taken on a uniform grid. The TOUGH2 code. is,used to predict the spatial profile of surface CO2 fluxes resulting from different leakage rates and different soil permeabilities. A response surface is fit to the TOUGH2 results to allow interpolation across a continuous range of values of permeability and leakage rate. The spatial distribution of leakage probability is assumed uniform in this application. Nonlinear, nonmonotonic relationships of network performance to soil permeability and network density are evident. In general, dense networks (with similar to 10-20 m between monitors) are required to ensure a moderate to high probability of leak detection. C1 [Yang, Ya-Mei; Small, Mitchell J.; Strazisar, Brian R.; Wells, Arthur W.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Yang, Ya-Mei; Small, Mitchell J.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Small, Mitchell J.] Carnegie Mellon Univ, Dept Engn & Publ Policy, Pittsburgh, PA 15213 USA. [Ogretim, Egemen O.; Gray, Donald D.; Bromhal, Grant S.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Ogretim, Egemen O.; Gray, Donald D.] W Virginia Univ, Dept Civil & Environm Engn, Morgantown, WV 26506 USA. RP Yang, YM (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM cheryl1838@gmail.com FU U.S. Department of Energy (DOE), National Energy Technology Laboratory (NETL) [22604.04.2.08.1041428/1041429] FX This research was conducted as part of the Carnegie Mellon-West Virginia University project, Bayesian network for assessing ZERT field data, supported by the U.S. Department of Energy (DOE), National Energy Technology Laboratory (NETL), through the DOE University Based Environmental Science Division Support program for Monitoring, Measurement, and Verification (MMV) Statistics, Project 22604.04.2.08.1041428/1041429. We thank Brian Junker of Carnegie Mellon University for suggestions regarding statistical inference for our models, and the anonymous reviewers for improving the focus and clarity of the paper. NR 38 TC 20 Z9 20 U1 0 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD AUG 1 PY 2011 VL 45 IS 15 BP 6380 EP 6387 DI 10.1021/es104379m PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 798IK UT WOS:000293196400029 PM 21732603 ER PT J AU Yang, Q Wang, YH Zhao, C Liu, Z Gustafson, WI Shao, M AF Yang, Qing Wang, Yuhang Zhao, Chun Liu, Zhen Gustafson, William I., Jr. Shao, Min TI NOx Emission Reduction and its Effects on Ozone during the 2008 Olympic Games SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID AIR-QUALITY; INTEX-B AB We applied a daily assimilated inversion method to estimate NOx (NO + NO2) emissions for June-September 2007 and 2008 cm the basis of the Aura Ozone Monitoring Instrument (OMI) observations of nitrogen dioxide (NO2) and model simulations using the Regional chemistry and transport Model (REAM). This method allows for estimating emission changes with a finer temporal resolution than previous studies and shows that the progression of the emission reduction corresponds roughly to the scheduled implementation of emission controls over Beijing. OMI column NO2 reductions are approximately 45%, 33%, and 14% over urban Beijing, rural Beijing, and the Huabei Plain, respectively, while the corresponding anthropogenic NO, emission reductions are only 28%, 24%, and 6%, during the full emission control period (July 20-Sep 20, 2008). Meteorological changes from summer 2007 to 2008 are the main factor contributing to the column NO2 decreases not accounted for by the emission reduction. The surface ozone changes due to NOx emission reduction are negligible using a standard VOC emission inventory. When using enhanced VOC (particularly aromatics) emissions derived from in situ observations, urban Beijing shifted O-3 production from the VOC-limited regime toward the NOx-limited regime resulting in a more substantial ozone decrease (up to 10 ppbv). C1 [Yang, Qing; Wang, Yuhang; Liu, Zhen] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Yang, Qing; Zhao, Chun; Gustafson, William I., Jr.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Shao, Min] Peking Univ, Coll Environm Sci & Engn, Beijing 100871, Peoples R China. RP Yang, Q (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM qing.yang@pnnl.gov RI Gustafson, William/A-7732-2008; Yang, Qing/H-3275-2011; Zhao, Chun/A-2581-2012; Liu, Zhen/C-3027-2011; Wang, Yuhang/B-5578-2014; SHAO, Min/C-7351-2014 OI Gustafson, William/0000-0001-9927-1393; Yang, Qing/0000-0003-2067-5999; Zhao, Chun/0000-0003-4693-7213; FU National Science Foundation FX This work was supported by the National Science Foundation Atmospheric Chemistry Program. NR 31 TC 24 Z9 24 U1 5 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD AUG 1 PY 2011 VL 45 IS 15 BP 6404 EP 6410 DI 10.1021/es200675v PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 798IK UT WOS:000293196400032 PM 21688812 ER PT J AU Hull, MS Chaurand, P Rose, J Auffan, M Bottero, JY Jones, JC Schultz, IR Vikesland, PJ AF Hull, Matthew S. Chaurand, Perrine Rose, Jerome Auffan, Melanie Bottero, Jean-Yves Jones, Jason C. Schultz, Irvin R. Vikesland, Peter J. TI Filter-Feedling Bivalves Store and Biodeposit Colloidally Stable Gold Nanoparticles SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SUSPENSION-FEEDING BIVALVES; CORBICULA-FLUMINEA; PARTICLE RETENTION; FILTRATION-RATE; WATER; SIZE; CLAM; EFFICIENCY; TOXICITY; PROTEINS AB Nanoparticles resistant to salt-induced aggregation are continually being developed for biomedical and industrial applications. Because of their colloidal stability these functionalized nanoparticles are anticipated to be persistent aquatic contaminants. Here, we show that Corbicula fluminea, a globally distributed clam that is a known sentinel of aquatic ecosystem contamination, can uptake and biodeposit bovine serum albumin (BSA) stabilized gold nanoparticles. Nanopartide clearance rates from suspension were dictated by diameter and concentration, with the largest particles cleared most quickly on a mass basis. Particle capture facilitates size-selective 'biopurification' of particle suspensions with nanoscale resolution. Nanoparticles were retained either within the clam digestive tract or excreted in feces. Our results suggest that biotransformation and biodeposition will play a significant role in the fate and transport of persistent nanoparticles in aquatic systems. C1 [Hull, Matthew S.; Jones, Jason C.; Vikesland, Peter J.] Virginia Tech, Dept Civil & Environm Engn, Blacksburg, VA 24061 USA. [Hull, Matthew S.; Jones, Jason C.; Vikesland, Peter J.] Virginia Tech, ICTAS, Blacksburg, VA USA. [Hull, Matthew S.; Chaurand, Perrine; Rose, Jerome; Auffan, Melanie; Bottero, Jean-Yves; Vikesland, Peter J.] NSF EPA Ctr Environm Implicat Nanotechnol CEINT, Aix En Provence, France. [Chaurand, Perrine; Rose, Jerome; Auffan, Melanie; Bottero, Jean-Yves] Aix Marseille Univ, Int Consortium Environm Implicat Nanotechnol iCEI, CEREGE, CNRS,UMR 6635, Aix En Provence, France. [Schultz, Irvin R.] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA USA. RP Vikesland, PJ (reprint author), Virginia Tech, Dept Civil & Environm Engn, Blacksburg, VA 24061 USA. EM pvikes@vt.edu RI Hull, Matt/F-4942-2012; Lucas, Elizabeth/E-2733-2010; Vikesland, Peter/B-3960-2013 OI Vikesland, Peter/0000-0003-2654-5132 FU US National Science Foundation [BES 0853989]; Virginia Tech Institute for Critical Technology and Applied Science; National Science Foundation (NSF); Environmental Protection Agency (EPA) under NSF [EF-0830093]; Center for the Environmental Implications of NanoTechnology (CEINT) FX We are grateful for funding from the US National Science Foundation (BES 0853989) and the Virginia Tech Institute for Critical Technology and Applied Science. This material is based upon work supported by the National Science Foundation (NSF) and the Environmental Protection Agency (EPA) under NSF Cooperative Agreement EF-0830093, Center for the Environmental Implications of NanoTechnology (CEINT). Any opinions, findings, conclusions, or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the NSF or the EPA. This work has not been subjected to EPA review, and no official endorsement should be inferred. W. Miles, R Davis, R Elston, M. Muryama, and K. Lowe provided invaluable assistance with sample characterization. We are grateful to the SOLEIL synchrotron (Paris, France) for the provision of beam time and acknowledge LUCIA staff (Nicolas Trcera, Anne-Marie Flank) for their technical support during data collection. NR 44 TC 29 Z9 30 U1 2 U2 43 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 AUG 1 PY 2011 VL 45 IS 15 BP 6592 EP 6599 DI 10.1021/es200809c PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 798IK UT WOS:000293196400057 PM 21671611 ER PT J AU Kirk, MF AF Kirk, Matthew F. TI Variation in Energy Available to Populations of Subsurface Anaerobes in Response to Geological Carbon Storage SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID WATER-ROCK INTERACTIONS; MICROBIAL COMMUNITY; CO2 SEQUESTRATION; SEDIMENTARY BASINS; SUPERCRITICAL CO2; SULFATE REDUCTION; SALINE AQUIFERS; FRIO-FORMATION; GROUNDWATER; DIOXIDE AB Microorganisms can strongly influence the chemical and physical properties of the subsurface. Changes in microbial activity caused by geological CO(2) storage, therefore, have the potential to influence the capacity, injectivity, and integrity of CO(2) storage reservoirs and ultimately the environmental impact of CO(2) injection. This analysis uses free energy calculations to examine variation in energy available to Fe(III) and SO(4)(2-) reducers and methanogens because of changes in the bulk composition of brine and shallow groundwater following subsurface CO(2) injection. Calculations were performed using data from two field experiments, the Frio Formation experiment and an experiment at the Zero Emission Research and Technology test site. Energy available for Fe(III) reduction increased significantly during CO(2) injection in both experiments, largely because of a decrease in pH from near-neutral levels to just below 6. Energy available to SO(4)(2-) reducers and methanogens varied little. These changes can lead to a greater rate of microbial Fe(III) reduction following subsurface CO(2) injection in reservoirs where Fe(III) oxides or oxyhydroxides are available and the rate of Fe(III) reduction is limited by energy available prior to injection. C1 Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. RP Kirk, MF (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA. EM mfkirk@sandia.gov RI Kirk, Matthew/A-3274-2013 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001114]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX I thank Susan Altman, Randall Cygan, Qusheng Jin, Hongkyu Yoon, Jay Santillan, and two anonymous reviewers for providing valuable suggestions that improved this paper and Yousif Kharaka and Susan Hovorka for assisting with this work. This material is based upon work supported as part of the Center for Frontiers of Subsurface Energy Security, 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-SC0001114. 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 53 TC 19 Z9 20 U1 5 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD AUG 1 PY 2011 VL 45 IS 15 BP 6676 EP 6682 DI 10.1021/es201279e PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 798IK UT WOS:000293196400068 PM 21740040 ER PT J AU Krul, AJ Daanen, HAM Choi, H AF Krul, Arno J. Daanen, Hein A. M. Choi, Hyegjoo TI Self-reported and measured weight, height and body mass index (BMI) in Italy, the Netherlands and North America SO EUROPEAN JOURNAL OF PUBLIC HEALTH LA English DT Article DE anthropometry; BMI; height; self-report; weight ID QUESTIONNAIRE DATA; VALIDITY; WOMEN AB Background: Self-reported values of height and weight are used increasingly despite warnings that these data-and derived body mass index (BMI) values-might be biased. The present study investigates whether differences between self-reported and measured values are the same for populations from different regions, and the influences of gender and age. Methods: Differences between self-reported and measured weights, heights and resulting BMIs are compared for representative samples of the adult population of Italy, the Netherlands and North America. Results: We observed that weight is under-reported (1.1 +/- 2.6 kg for females and 0.4 +/- 3.1 kg for males) and height over-reported (1.1 +/- 2.2 cm for females and 1.7 +/- 2.1 cm for males), in accordance with the literature. This leads to an overall underestimation of BMI values (0.7 +/- 1.2 kg/m(2) or 2.8% for females and 0.6 +/- 1.1 kg/m(2) or 2.3% for males). When BMI values are assigned to four categories (from 'underweight' to 'obesity'), 11.2% of the females and 12.0% of the males are categorized too low when self-reported weights and heights are used, with an extreme of 17.2% for Italian females. Older people tend to relatively over-report height and under-report weight, but the magnitude differs between countries and gender. Conclusion: We conclude that, apart from a general overestimation of height and underestimation of weight resulting in an underestimation of BMI, substantial differences are observed between countries, between females and males and between age groups. C1 [Krul, Arno J.; Daanen, Hein A. M.] TNO Def Secur & Safety, NL-3769 ZG Soesterberg, Netherlands. [Daanen, Hein A. M.] Vrije Univ Amsterdam, Fac Human Movement Sci, Amsterdam, Netherlands. [Choi, Hyegjoo] AFRL RHPA, Oak Ridge Inst Sci & Educ, Wright Patterson AFB, OH USA. RP Daanen, HAM (reprint author), TNO Def Secur & Safety, POB 23, NL-3769 ZG Soesterberg, Netherlands. EM hein.daanen@tno.nl FU U.S. Department of Energy; AFRL/RHP FX The Research Participation Program at the Air Force Research Laboratory, Human Effectiveness Directorate, Bioscience and Protection, Wright Patterson AFB, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and AFRL/RHP. NR 15 TC 44 Z9 44 U1 1 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1101-1262 J9 EUR J PUBLIC HEALTH JI Eur. J. Public Health PD AUG PY 2011 VL 21 IS 4 BP 414 EP 419 DI 10.1093/eurpub/ckp228 PG 6 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 796BS UT WOS:000293025800007 PM 20089678 ER PT J AU Aylor, DL Valdar, W Foulds-Mathes, W Buus, RJ Verdugo, RA Baric, RS Ferris, MT Frelinger, JA Heise, M Frieman, MB Gralinski, LE Bell, TA Didion, JD Hua, KJ Nehrenberg, DL Powell, CL Steigerwalt, J Xie, YY Kelada, SNP Collins, FS Yang, IV Schwartz, DA Branstetter, LA Chesler, EJ Miller, DR Spence, J Liu, EY McMillan, L Sarkar, A Wang, J Wang, W Zhang, Q Broman, KW Korstanje, R Durrant, C Mott, R Iraqi, FA Pomp, D Threadgill, D de Villena, FPM Churchill, GA AF Aylor, David L. Valdar, William Foulds-Mathes, Wendy Buus, Ryan J. Verdugo, Ricardo A. Baric, Ralph S. Ferris, Martin T. Frelinger, Jeff A. Heise, Mark Frieman, Matt B. Gralinski, Lisa E. Bell, Timothy A. Didion, John D. Hua, Kunjie Nehrenberg, Derrick L. Powell, Christine L. Steigerwalt, Jill Xie, Yuying Kelada, Samir N. P. Collins, Francis S. Yang, Ivana V. Schwartz, David A. Branstetter, Lisa A. Chesler, Elissa J. Miller, Darla R. Spence, Jason Liu, Eric Yi McMillan, Leonard Sarkar, Abhishek Wang, Jeremy Wang, Wei Zhang, Qi Broman, Karl W. Korstanje, Ron Durrant, Caroline Mott, Richard Iraqi, Fuad A. Pomp, Daniel Threadgill, David de Villena, Fernando Pardo-Manuel Churchill, Gary A. TI Genetic analysis of complex traits in the emerging Collaborative Cross SO GENOME RESEARCH LA English DT Article ID INBRED MOUSE STRAINS; SYSTEMS GENETICS; LABORATORY MOUSE; MICE; ASSOCIATION; RESOURCE; LOCUS; MAP; POPULATIONS; DISSECTION AB The Collaborative Cross (CC) is a mouse recombinant inbred strain panel that is being developed as a resource for mammalian systems genetics. Here we describe an experiment that uses partially inbred CC lines to evaluate the genetic properties and utility of this emerging resource. Genome-wide analysis of the incipient strains reveals high genetic diversity, balanced allele frequencies, and dense, evenly distributed recombination sites-all ideal qualities for a systems genetics resource. We map discrete, complex, and biomolecular traits and contrast two quantitative trait locus (QTL) mapping approaches. Analysis based on inferred haplotypes improves power, reduces false discovery, and provides information to identify and prioritize candidate genes that is unique to multifounder crosses like the CC. The number of expression QTLs discovered here exceeds all previous efforts at eQTL mapping in mice, and we map local eQTL at 1-Mb resolution. We demonstrate that the genetic diversity of the CC, which derives from random mixing of eight founder strains, results in high phenotypic diversity and enhances our ability to map causative loci underlying complex disease-related traits. C1 [Aylor, David L.; Valdar, William; Foulds-Mathes, Wendy; Buus, Ryan J.; Ferris, Martin T.; Heise, Mark; Bell, Timothy A.; Didion, John D.; Hua, Kunjie; Nehrenberg, Derrick L.; Powell, Christine L.; Xie, Yuying; Miller, Darla R.; Spence, Jason; Pomp, Daniel; de Villena, Fernando Pardo-Manuel] Univ N Carolina, Dept Genet, Chapel Hill, NC 27599 USA. [Verdugo, Ricardo A.; Chesler, Elissa J.; Korstanje, Ron; Churchill, Gary A.] Jackson Lab, Bar Harbor, ME 04609 USA. [Baric, Ralph S.] Univ N Carolina, Dept Epidemiol, Chapel Hill, NC 27599 USA. [Baric, Ralph S.; Frelinger, Jeff A.; Frieman, Matt B.; Gralinski, Lisa E.] Univ N Carolina, Dept Microbiol & Immunol, Chapel Hill, NC 27599 USA. [Steigerwalt, Jill; Threadgill, David] N Carolina State Univ, Dept Genet, Raleigh, NC 27695 USA. [Kelada, Samir N. P.; Collins, Francis S.] NHGRI, Genome Technol Branch, NIH, Bethesda, MD 20892 USA. [Yang, Ivana V.; Schwartz, David A.] Natl Jewish Hlth, Denver, CO 80206 USA. [Branstetter, Lisa A.] Oak Ridge Natl Lab, Oak Ridge, TN 37849 USA. [Liu, Eric Yi; McMillan, Leonard; Sarkar, Abhishek; Wang, Jeremy; Wang, Wei; Zhang, Qi] Univ N Carolina, Dept Comp Sci, Chapel Hill, NC 27599 USA. [Broman, Karl W.] Univ Wisconsin, Dept Biostat & Med Informat, Madison, WI 53706 USA. [Durrant, Caroline; Mott, Richard] Univ Oxford, Wellcome Trust Ctr Human Genet, Oxford OX3 7BN, England. [Iraqi, Fuad A.] Tel Aviv Univ, Dept Human Microbiol, IL-69978 Tel Aviv, Israel. RP Pomp, D (reprint author), Univ N Carolina, Dept Genet, Chapel Hill, NC 27599 USA. EM dpomp@unc.edu; threadgill@ncsu.edu; fernando@med.unc.edu; gary.churchill@jax.org RI Verdugo, Ricardo/A-3970-2013; Frelinger, Jeffrey/F-2448-2014; Liu, Eric Yi/B-6221-2016; Threadgill, David/N-4425-2013; OI Frelinger, Jeffrey/0000-0002-2503-6267; Threadgill, David/0000-0003-3538-1635; Didion, John/0000-0002-8111-6261; Broman, Karl/0000-0002-4914-6671 FU National Institutes of Health [GM070683, GM076468, GM067553, GM074244, F32GM090667, T32GM07092, MH090338, T32MH076694, DK076050, U01CA105417, U01CA134240]; Ellison Medical Foundation [AG-IA-0202-05]; U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; NIDDK [DK056350]; state of North Carolina FX This work was supported by National Institutes of Health grants and training grants GM070683, GM076468, GM067553, GM074244, F32GM090667, T32GM07092, MH090338, T32MH076694, DK076050, U01CA105417, and U01CA134240; Ellison Medical Foundation AG-IA-0202-05, and U.S. Department of Energy under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. Some phenotypes were collected using the Animal Metabolism Phenotyping core facility within UNC's Nutrition Obesity Research Center (funded by NIDDK grant DK056350). Essential support was also provided by the Dean of the UNC School of Medicine, the Lineberger Comprehensive Cancer Center at UNC, and the University Cancer Research Fund from the state of North Carolina. We are particularly grateful for infrastructure support at UNC facilitated by Drs. Bill Marzluff, Terry Magnuson, and Shelley Earp. NR 43 TC 147 Z9 148 U1 2 U2 17 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD AUG PY 2011 VL 21 IS 8 BP 1213 EP 1222 DI 10.1101/gr.111310.110 PG 10 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 800CG UT WOS:000293335700002 PM 21406540 ER PT J AU Philip, VM Sokoloff, G Ackert-Bicknell, CL Striz, M Branstetter, L Beckmann, MA Spence, JS Jackson, BL Galloway, LD Barker, P Wymore, AM Hunsicker, PR Durtschi, DC Shaw, GS Shinpock, S Manly, KF Miller, DR Donohue, KD Culiat, CT Churchill, GA Lariviere, WR Palmer, AA O'Hara, BF Voy, BH Chesler, EJ AF Philip, Vivek M. Sokoloff, Greta Ackert-Bicknell, Cheryl L. Striz, Martin Branstetter, Lisa Beckmann, Melissa A. Spence, Jason S. Jackson, Barbara L. Galloway, Leslie D. Barker, Paul Wymore, Ann M. Hunsicker, Patricia R. Durtschi, David C. Shaw, Ginger S. Shinpock, Sarah Manly, Kenneth F. Miller, Darla R. Donohue, Kevin D. Culiat, Cymbeline T. Churchill, Gary A. Lariviere, William R. Palmer, Abraham A. O'Hara, Bruce F. Voy, Brynn H. Chesler, Elissa J. TI Genetic analysis in the Collaborative Cross breeding population SO GENOME RESEARCH LA English DT Article ID RECOMBINANT INBRED STRAINS; SYSTEMS GENETICS; COMPLEX TRAITS; BODY-WEIGHT; LITTER SIZE; LABORATORY MICE; DIETARY OBESITY; MOUSE; RESOURCE; SLEEP AB Genetic reference populations in model organisms are critical resources for systems genetic analysis of disease related phenotypes. The breeding history of these inbred panels may influence detectable allelic and phenotypic diversity. The existing panel of common inbred strains reflects historical selection biases, and existing recombinant inbred panels have low allelic diversity. All such populations may be subject to consequences of inbreeding depression. The Collaborative Cross (CC) is a mouse reference population with high allelic diversity that is being constructed using a randomized breeding design that systematically outcrosses eight founder strains, followed by inbreeding to obtain new recombinant inbred strains. Five of the eight founders are common laboratory strains, and three are wild-derived. Since its inception, the partially inbred CC has been characterized for physiological, morphological, and behavioral traits. The construction of this population provided a unique opportunity to observe phenotypic variation as new allelic combinations arose through intercrossing and inbreeding to create new stable genetic combinations. Processes including inbreeding depression and its impact on allelic and phenotypic diversity were assessed. Phenotypic variation in the CC breeding population exceeds that of existing mouse genetic reference populations due to both high founder genetic diversity and novel epistatic combinations. However, some focal evidence of allele purging was detected including a suggestive QTL for litter size in a location of changing allele frequency. Despite these inescapable pressures, high diversity and precision for genetic mapping remain. These results demonstrate the potential of the CC population once completed and highlight implications for development of related populations. C1 [Philip, Vivek M.; Branstetter, Lisa; Beckmann, Melissa A.; Spence, Jason S.; Barker, Paul; Wymore, Ann M.; Hunsicker, Patricia R.; Durtschi, David C.; Shaw, Ginger S.; Shinpock, Sarah; Miller, Darla R.; Culiat, Cymbeline T.; Voy, Brynn H.; Chesler, Elissa J.] Oak Ridge Natl Lab, Syst Genet Grp, Biosci Div, Oak Ridge, TN 37831 USA. [Philip, Vivek M.; Beckmann, Melissa A.; Spence, Jason S.; Durtschi, David C.; Shaw, Ginger S.; Culiat, Cymbeline T.; Voy, Brynn H.; Chesler, Elissa J.] Univ Tennessee, Genome Sci & Technol Program, Knoxville, TN 37996 USA. [Sokoloff, Greta; Palmer, Abraham A.] Univ Chicago, Dept Human Genet, Chicago, IL 60637 USA. [Ackert-Bicknell, Cheryl L.; Churchill, Gary A.; Chesler, Elissa J.] Jackson Lab, Bar Harbor, ME 04609 USA. [Striz, Martin; O'Hara, Bruce F.] Univ Kentucky, Dept Biol, Lexington, KY 40506 USA. [Jackson, Barbara L.] Oak Ridge Natl Lab, Stat & Data Sci Grp, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Galloway, Leslie D.] Univ Tennessee, Dept Ecol & Evolutionary Biol, Knoxville, TN 37996 USA. [Manly, Kenneth F.] Univ Tennessee, Hlth Sci Ctr, Ctr Genom & Bioinformat, Memphis, TN 38163 USA. [Donohue, Kevin D.] Univ Kentucky, Dept Elect & Comp Engn, Lexington, KY 40506 USA. [Lariviere, William R.] Univ Pittsburgh, Sch Med, Dept Anesthesiol, Pittsburgh, PA 15260 USA. [Palmer, Abraham A.] Univ Chicago, Dept Psychiat & Behav Neurosci, Chicago, IL 60637 USA. RP Chesler, EJ (reprint author), Oak Ridge Natl Lab, Syst Genet Grp, Biosci Div, Oak Ridge, TN 37831 USA. EM elissa.chesler@jax.org RI Donohue, Kevin/C-3444-2012; Palmer, Abraham/L-2158-2014; OI Palmer, Abraham/0000-0003-3634-0747; Philip, Vivek/0000-0001-5126-707X FU Office of Biological and Experimental Research, Office of Science, US Department of Energy; Ellison Medical Foundation; ORNL FX The production and characterization of the Collaborative Cross was funded by the Office of Biological and Experimental Research, Office of Science, US Department of Energy to E.J.C., with initial support for production of the Collaborative Cross from the Ellison Medical Foundation to E.J.C., David W. Threadgill (UNC), and Dabney K. Johnson (ORNL). Support for design and production of the genotyping array came from the Center of Genomics and Bioinformatics, University of Tennessee Health Science Center to K. F. M., NIGMS to G. A. C., and ORNL Laboratory Directors Research and Development Fund to E.J.C. and B. H. V. Genotyping was performed through Oak Ridge National Laboratory TTRF to E.J.C. Dr. Roumyana Yordanova performed early heritability analyses. Dr. Arnold M. Saxton, University of Tennessee, performed early mapping analyses using alternate methods and provided helpful feedback on this manuscript. Additional phenotyping was supported by DA021198 to W. R. L., FA9550-05-1-0464 to B.F.O., MH079103 to A. A. P., and the Jackson Laboratory, Nathan Shock Center of Excellence in the Basic Biology of Aging, AG025707 to C.L.A.B. NR 48 TC 73 Z9 74 U1 1 U2 9 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD AUG PY 2011 VL 21 IS 8 BP 1223 EP 1238 DI 10.1101/gr.113886.110 PG 16 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 800CG UT WOS:000293335700003 PM 21734011 ER PT J AU Boily, JF Chatman, S Rosso, KM AF Boily, Jean-Francois Chatman, Shawn Rosso, Kevin M. TI Inner-Helmholtz potential development at the hematite (alpha-Fe2O3) (001) surface SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID INTRINSIC PROTON AFFINITY; WATER-GOETHITE INTERFACE; BOND-VALENCE METHODS; METAL (HYDR)OXIDES; FORCE MICROSCOPY; PK(A) PREDICTION; CRYSTAL FACES; ADSORPTION; OXALATE; CHARGE AB Electric potentials of the (0 0 1) surface of hematite were measured as a function of pH and ionic strength in solutions of sodium nitrate and oxalic acid using the single-crystal electrode approach. The surface is predominantly charge-neutral in the pH 4-14 range, and develops a positive surface potential below pH 4 due to protonation of mu-OH0 sites (pK(1,1,0,int) = -1.32). This site is resilient to deprotonation up to at least pH 14 (-pK (1,1,0, int) >> 19). The associated Stern layer capacitance of 0.31-0.73 F/m(2) is smaller than typical values of powders, and possibly arises from a lower degree of surface solvation. Acid-promoted dissolution under elevated concentrations of HNO3 etches the (0 0 1) surface, yielding a convoluted surface populated by -OH20.5+ sites. The resulting surface potential was therefore larger under these conditions than in the absence of dissolution. Oxalate ions also promoted (0 0 1) dissolution. Associated electric potentials were strongly negative, with values as large as -0.5 V, possibly from metal-bonded interactions with oxalate. The hematite surface can also acquire negative potentials in the pH 7-11 range due to surface complexation and/or precipitation of iron species (0.0038 Fe/nm(2)) produced from acidic conditions. Oxalate-bearing systems also result in negative potentials in the same pH range, and may include ferric-oxalate surface complexes and/or surface precipitates. All measurements can be modeled by a thermodynamic model that can be used to predict inner-Helmholtz potentials of hematite surfaces. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Rosso, Kevin M.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. [Boily, Jean-Francois] Umea Univ, Dept Chem, SE-90187 Umea, Sweden. RP Rosso, KM (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, POB 999,MSIN K8-96, Richland, WA 99352 USA. EM kevin.rosso@pnl.gov RI Chatman, Shawn/J-9892-2012 OI Chatman, Shawn/0000-0002-7951-5968 FU U.S. Department of Energy, Office of Science; Swedish Research Council (VR); Wallenberg Foundation FX This research was supported by a grant to PNNL from the U.S. Department of Energy, Office of Science, Basic Energy Sciences - Geosciences program. J.-F.B. acknowledges the Swedish Research Council (VR) and the Wallenberg Foundation for supporting a portion of this work. The authors gratefully acknowledge Dr. Svetlana Yanina for assisting with potentiometric data collection. The authors also thank Dr. David Wesolowski and two anonymous referees, and Associate Editor Michael Machesky for constructive comments that greatly improved the manuscript. NR 59 TC 15 Z9 15 U1 3 U2 39 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD AUG 1 PY 2011 VL 75 IS 15 BP 4113 EP 4124 DI 10.1016/j.gca.2011.05.013 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 796ZR UT WOS:000293092500002 ER PT J AU Stephenson, AE Hunter, JL Han, N DeYoreo, JJ Dove, PM AF Stephenson, A. E. Hunter, J. L. Han, N. DeYoreo, J. J. Dove, P. M. TI Effect of ionic strength on the Mg content of calcite: Toward a physical basis for minor element uptake during step growth SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID PLANKTONIC-FORAMINIFERA; CARBOXYLATED MOLECULES; MAGNESIAN CALCITES; CARBONATE; KINETICS; SALINITY; SURFACE; MG/CA; PRECIPITATION; MECHANISM AB This experimental study determined the effect of ionic strength (IS) on the uptake of Mg into calcites that grew by the classical step propagation process. Using flow-through AFM and defined solution chemistry, calcite was grown in NaCl and KCl solutions of known supersaturation state while measuring the corresponding growth kinetics. Analysis of the resulting calcite compositions by SIMS shows that Mg content is inversely correlated with IS for both electrolytes. A sixfold increase in IS decreases the Mg-content by up to 40%. Overgrowths that developed in NaCl solutions contain more Mg than samples that grew in KCl solutions. The corresponding kinetic measurements reveal that step propagation rates are independent of IS within experimental error but are electrolyte-specific. In NaCl solutions, steps with the obtuse geometry move significantly faster than acute steps, but in KCl solutions, the acute and obtuse steps move at similar rates. Analysis of the data suggests that the decrease in Mg content with increasing IS arises from the interplay of ion-kink interactions between the background cations (Na(+) or K(+)), the primary solute cation (Ca(2+)), and the impurity (Mg(2+)). A simple physical model proposes that increasing levels of electrolytes block the attachment of the strongly hydrated Mg(2+) ion relative to Ca(2+) but the effects are step-specific for each type of electrolyte. Whereas K(+) interacts weakly with kink sites along both step directions, Na(+) interacts preferentially with acute steps and, consequently, slows their rate of step propagation relative to obtuse steps. Because Na(+) increases the fraction of the surface that develops from acute steps and because Mg is preferentially incorporated into the kink sites of acute steps, calcite overgrowths developed in NaCl solutions contain more Mg than those in grown in KCl. Thus, the salt-specific Mg contents measured in this study can be explained by shifts in the distribution of step types and the ability of each step type to incorporate Mg. The findings reconcile apparent discrepancies regarding the effect of IS on calcite kinetics and Mg incorporation observed in laboratory-based studies. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Stephenson, A. E.; Han, N.; Dove, P. M.] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. [Hunter, J. L.] Virginia Tech, Inst Crit Technol & Appl Sci, Nanoscale Characterizat & Fabricat Lab, Blacksburg, VA 24061 USA. [DeYoreo, J. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Dove, PM (reprint author), Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. EM dove@vt.edu RI Dove, Patricia/A-7911-2010 FU US Department of Energy [DOE BES-FG02-00ER15112]; National Science Foundation [NSF OCE-052667]; Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, of the US Department of Energy [DE-AC02-05CH11231] FX The research was supported by awards to PMD from the US Department of Energy (DOE BES-FG02-00ER15112) and the National Science Foundation (NSF OCE-052667). Theoretical analysis was supported by the Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. Opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of NSF or DOE. We thank J.F. Read and J.D. Rimstidt for thoughtful insights into geological carbonates, Clayton Loehn for electron microprobe analysis of calcite standards, Luca Fedele for assistance with ICP-MS, and Associate Editor Alfonso Mucci for editorial improvements to the manuscript. NR 49 TC 11 Z9 11 U1 5 U2 46 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD AUG 1 PY 2011 VL 75 IS 15 BP 4340 EP 4350 DI 10.1016/j.gca.2011.05.016 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 796ZR UT WOS:000293092500017 ER PT J AU Dahari, H Guedj, J Perelson, AS AF Dahari, Harel Guedj, Jeremie Perelson, Alan S. TI Silibin's Mode of Action Against Hepatitis C Virus: A Controversy Yet to Be Resolved SO HEPATOLOGY LA English DT Letter ID INTRAVENOUS SILIBININ; REPLICATION; RIBAVIRIN; THERAPY C1 [Dahari, Harel; Guedj, Jeremie; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Dahari, Harel] Univ Illinois, Dept Med, Chicago, IL USA. RP Dahari, H (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. RI Guedj, Jeremie/A-6842-2017 OI Guedj, Jeremie/0000-0002-5534-5482 FU NCRR NIH HHS [R01 RR006555]; NIAID NIH HHS [R01 AI028433, R01 AI065256, R01 AI078881, R37 AI028433, R56 AI065256]; NIH HHS [R01 OD011095] NR 10 TC 7 Z9 7 U1 0 U2 2 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0270-9139 J9 HEPATOLOGY JI Hepatology PD AUG PY 2011 VL 54 IS 2 BP 749 EP 749 DI 10.1002/hep.24310 PG 1 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 800BT UT WOS:000293333300053 PM 21433039 ER PT J AU Varela-Alvarez, E Glenn, TC Serrao, EA Duarte, CM Martinez-Daranas, B Valero, M Marba, N AF Varela-Alvarez, Elena Glenn, Travis C. Serrao, Ester A. Duarte, Carlos M. Martinez-Daranas, Beatriz Valero, Myriam Marba, Nuria TI Dinucleotide microsatellite markers in the genus Caulerpa SO JOURNAL OF APPLIED PHYCOLOGY LA English DT Article DE Caulerpa; Clonal plant; Caulerpaceae; Microsatellite; Population genetics; Seaweed invasion ID TAXIFOLIA; POLYMORPHISM; ECOSYSTEMS; ALGA AB Caulerpa spp. are clonal green marine algae which often act as invasive species when growing outside their native biogeographical borders. Over the two past decades, Caulerpa taxifolia has spread along the Mediterranean coast, presently occurring at 70 sites and covering nearly 3,000 ha of subtidal area. New genetic markers (microsatellites) have been developed to assess clonal structure and genetic diversity of recently established populations of the invasive species C. taxifolia and Caulerpa racemosa in comparison with populations of the native Caulerpa prolifera in the Mediterranean. Our results show that nine polymorphic markers have been developed for C. prolifera, seven for C. taxifolia, and three for C. racemosa. Genetic diversity in Caulerpa was assessed in two geographical scales: one at a population scale where 40 thalli units were collected from C. prolifera in Cala d'Or, Mallorca, Spain, and another at a species scale, where 30 sample units were analyzed for C. prolifera, 24 for C. taxifolia, and 24 for C. racemosa from different sites in the Mediterranean, Atlantic, and Pacific Ocean. Number of alleles, expected heterozygosity, and marker amplification success are provided in each case. C1 [Varela-Alvarez, Elena; Serrao, Ester A.] Univ Algarve, CCMAR CIMAR, P-8005139 Faro, Portugal. [Glenn, Travis C.] Univ Georgia, Dept Environm Hlth Sci, Athens, GA 30602 USA. [Glenn, Travis C.] Univ Georgia, Savannah River Ecol Lab, Athens, GA 30602 USA. [Duarte, Carlos M.; Marba, Nuria] Inst Mediterraneo Estudios Avanzados, Dept Global Change Res, IMEDEA, CSIC UIB, Esporles, Mallorca, Spain. [Martinez-Daranas, Beatriz] Ctr Invest Pesqueras MINAL, Havana 19100, Cuba. [Valero, Myriam] UPMC, CNRS, Stn Biol Roscoff, Equipe Biol Evolut & Div Marine BEDIM,UMR 7144, F-29682 Roscoff, France. RP Varela-Alvarez, E (reprint author), Univ Algarve, CCMAR CIMAR, P-8005139 Faro, Portugal. EM evarela@ualg.pt; eserrao@ualg.pt RI Valero, Myriam/C-7550-2011; Glenn, Travis/A-2390-2008; Duarte, Carlos M/A-7670-2013; Varela-Alvarez, Elena/M-4495-2013; UALG, CCMAR/N-7071-2013; Marba, Nuria/H-8136-2015; Serrao, Ester/C-6686-2012 OI Valero, Myriam/0000-0002-9000-1423; Duarte, Carlos M/0000-0002-1213-1361; Varela-Alvarez, Elena/0000-0001-7262-3475; Marba, Nuria/0000-0002-8048-6789; Serrao, Ester/0000-0003-1316-658X FU MECD (Ministerio de Educacion y Ciencia Espanol) [REN 2002-00701, CTM2005-01434/MAR]; Foundation BBVA (Banco Bilbao Vizcaya Argentaria); FCT (Portuguese Science Foundation) [PTDC/MAR/70921/2006]; FEDER; FCT, Portugal [SFRH/BPD/17206/2004]; FSE; NoE Marine Genomics Europe [GOCECT-2004-505403, WP6]; Department of Energy [DE-FC09-07SR22506]; agency of the US Government FX We thank the following people for their collections, help on specimen identification, and/or help with the logistics of the sampling campaigns: Liam Cronin, Pablo Manent, Levent Cavas, Juan Manuel Ruiz, Ligia Collado, James W. Fourquerean, Jorge Terrados, and Gary Kendrick. This work was financed through the following projects: CAULEXPAN (REN 2002-00701), MACRO-ALGAS INVASORAS (CTM2005-01434/MAR) by the MECD (Ministerio de Educacion y Ciencia Espanol) to NM, PRADERAS by the Foundation BBVA (Banco Bilbao Vizcaya Argentaria) to CD, CAULERPA_GENETICS (PTDC/MAR/70921/2006) by FCT (Portuguese Science Foundation) co-funded by FEDER, and a Postdoctoral fellowship (SFRH/BPD/17206/2004) from FCT, Portugal, co-funded by FSE, both to EVA, by the NoE Marine Genomics Europe (GOCECT-2004-505403, WP6, algal node) to MV and ES, and supported in part by the Department of Energy award DE-FC09-07SR22506 to the University of Georgia Research Foundation.; This report was prepared as an account of work sponsored by an agency of the US Government. Neither the US Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the US Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the US Government or any agency thereof. NR 15 TC 2 Z9 2 U1 1 U2 16 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0921-8971 J9 J APPL PHYCOL JI J. Appl. Phycol. PD AUG PY 2011 VL 23 IS 4 BP 715 EP 719 DI 10.1007/s10811-010-9568-9 PG 5 WC Biotechnology & Applied Microbiology; Marine & Freshwater Biology SC Biotechnology & Applied Microbiology; Marine & Freshwater Biology GA 797XN UT WOS:000293163500009 ER PT J AU Hauser, LJ Land, ML Brown, SD Larimer, F Keller, KL Rapp-Giles, BJ Price, MN Lin, M Bruce, DC Detter, JC Tapia, R Han, CS Goodwin, LA Cheng, JF Pitluck, S Copeland, A Lucas, S Nolan, M Lapidus, AL Palumbo, AV Wall, JD AF Hauser, Loren J. Land, Miriam L. Brown, Steven D. Larimer, Frank Keller, Kimberly L. Rapp-Giles, Barbara J. Price, Morgan N. Lin, Monica Bruce, David C. Detter, John C. Tapia, Roxanne Han, Cliff S. Goodwin, Lynne A. Cheng, Jan-Fang Pitluck, Samuel Copeland, Alex Lucas, Susan Nolan, Matt Lapidus, Alla L. Palumbo, Anthony V. Wall, Judy D. TI Complete Genome Sequence and Updated Annotation of Desulfovibrio alaskensis G20 SO JOURNAL OF BACTERIOLOGY LA English DT Article ID DESULFURICANS AB Desulfovibrio alaskensis G20 (formerly Desulfovibrio desulfuricans G20) is a Gram-negative mesophilic sulfate-reducing bacterium (SRB), known to corrode ferrous metals and to reduce toxic radionuclides and metals such as uranium and chromium to sparingly soluble and less toxic forms. We present the 3.7-Mb genome sequence to provide insights into its physiology. C1 [Keller, Kimberly L.; Rapp-Giles, Barbara J.; Wall, Judy D.] Univ Missouri, Div Biochem, Columbia, MO 65211 USA. [Hauser, Loren J.; Land, Miriam L.; Brown, Steven D.; Larimer, Frank; Palumbo, Anthony V.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Price, Morgan N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Lin, Monica] Univ Calif Berkeley, Bioengn Dept, Berkeley, CA 94720 USA. [Cheng, Jan-Fang; Pitluck, Samuel; Copeland, Alex; Nolan, Matt; Lapidus, Alla L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. [Bruce, David C.; Detter, John C.; Tapia, Roxanne; Han, Cliff S.; Goodwin, Lynne A.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Hauser, Loren J.; Land, Miriam L.; Bruce, David C.; Detter, John C.; Tapia, Roxanne; Han, Cliff S.; Goodwin, Lynne A.; Cheng, Jan-Fang; Pitluck, Samuel; Copeland, Alex; Lucas, Susan; Nolan, Matt; Lapidus, Alla L.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Lucas, Susan] Lawrence Livermore Natl Lab, Genom Div, Livermore, CA 94550 USA. RP Wall, JD (reprint author), Univ Missouri, Div Biochem, 117 Schweitzer Hall, Columbia, MO 65211 USA. EM wallj@missouri.edu RI Palumbo, Anthony/A-4764-2011; Hauser, Loren/H-3881-2012; Lapidus, Alla/I-4348-2013; Land, Miriam/A-6200-2011; Brown, Steven/A-6792-2011 OI Price, Morgan/0000-0002-4251-0362; Palumbo, Anthony/0000-0002-1102-3975; Lapidus, Alla/0000-0003-0427-8731; Land, Miriam/0000-0001-7102-0031; Brown, Steven/0000-0002-9281-3898 NR 8 TC 27 Z9 324 U1 4 U2 22 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2011 VL 193 IS 16 BP 4268 EP 4269 DI 10.1128/JB.05400-11 PG 2 WC Microbiology SC Microbiology GA 798PK UT WOS:000293222600031 PM 21685289 ER PT J AU Chain, PSG Lang, DM Comerci, DJ Malfatti, SA Vergez, LM Shin, M Ugalde, RA Garcia, E Tolmasky, ME AF Chain, Patrick S. G. Lang, Dorothy M. Comerci, Diego J. Malfatti, Stephanie A. Vergez, Lisa M. Shin, Maria Ugalde, Rodolfo A. Garcia, Emilio Tolmasky, Marcelo E. TI Genome of Ochrobactrum anthropi ATCC 49188(T), a Versatile Opportunistic Pathogen and Symbiont of Several Eukaryotic Hosts SO JOURNAL OF BACTERIOLOGY LA English DT Article ID ENDOCARDITIS; FAMILY AB Ochrobactrum anthropi is a common soil alphaproteobacterium that colonizes a wide spectrum of organisms and is being increasingly recognized as an opportunistic human pathogen. Potentially life-threatening infections, such as endocarditis, are included in the list of reported O. anthropi infections. These reports, together with the scant number of studies and the organism's phylogenetic proximity to the highly pathogenic brucellae, make O. anthropi an attractive model of bacterial pathogenicity. Here we report the genome sequence of the type strain O. anthropi ATCC 49188, which revealed the presence of two chromosomes and four plasmids. C1 [Tolmasky, Marcelo E.] Calif State Univ Fullerton, Ctr Appl Biotechnol Studies, Dept Biol Sci, Fullerton, CA 92831 USA. [Chain, Patrick S. G.] Los Alamos Natl Lab, Genome Sci Grp, Los Alamos, NM 87544 USA. [Chain, Patrick S. G.; Malfatti, Stephanie A.; Vergez, Lisa M.; Shin, Maria] Joint Genome Inst, Microbial Program, Walnut Creek, CA 94598 USA. [Lang, Dorothy M.; Malfatti, Stephanie A.; Vergez, Lisa M.; Shin, Maria; Garcia, Emilio] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Comerci, Diego J.; Ugalde, Rodolfo A.] Univ Nacl Gen San Martin IIB INTECH CONICET, Inst Invest Biotecnol, RA-1650 Buenos Aires, DF, Argentina. RP Tolmasky, ME (reprint author), Calif State Univ Fullerton, Ctr Appl Biotechnol Studies, Dept Biol Sci, 800 N State Coll Blvd, Fullerton, CA 92831 USA. EM garcia12@llnl.gov; mtolmasky@fullerton.edu RI chain, patrick/B-9777-2013; OI Comerci, Diego J./0000-0003-1949-4226; Chain, Patrick/0000-0003-3949-3634 NR 13 TC 12 Z9 372 U1 1 U2 4 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2011 VL 193 IS 16 BP 4274 EP 4275 DI 10.1128/JB.05335-11 PG 2 WC Microbiology SC Microbiology GA 798PK UT WOS:000293222600034 PM 21685287 ER PT J AU Kalamorz, F Keis, S McMillan, DGG Olsson, K Stanton, JA Stockwell, P Black, MA Klingeman, DM Land, ML Han, CS Martin, SL Becher, SA Peddie, CJ Morgan, HW Matthies, D Preiss, L Meier, T Brown, SD Cook, GM AF Kalamorz, Falk Keis, Stefanie McMillan, Duncan G. G. Olsson, Karen Stanton, Jo-Ann Stockwell, Peter Black, Mik A. Klingeman, Dawn M. Land, Miriam L. Han, Cliff S. Martin, Stanton L. Becher, S. Anette Peddie, Catherine J. Morgan, Hugh W. Matthies, Doreen Preiss, Laura Meier, Thomas Brown, Steven D. Cook, Gregory M. TI Draft Genome Sequence of the Thermoalkaliphilic Caldalkalibacillus thermarum Strain TA2.A1 SO JOURNAL OF BACTERIOLOGY LA English DT Article ID F1F0-ATP SYNTHASE; ATP SYNTHESIS; PURIFICATION; F-1-ATPASE; RING AB The genes and molecular machines that allow for a thermoalkaliphilic lifestyle have not been defined. To address this goal, we report on the improved high-quality draft genome sequence of Caldalkalibacillus thermarum strain TA2.A1, an obligately aerobic bacterium that grows optimally at pH 9.5 and 65 to 70 degrees C on a wide variety of carbon and energy sources. C1 [Kalamorz, Falk; Keis, Stefanie; McMillan, Duncan G. G.; Olsson, Karen; Cook, Gregory M.] Univ Otago, Otago Sch Med Sci, Dept Microbiol & Immunol, Dunedin, New Zealand. [Stanton, Jo-Ann] Univ Otago, Otago Sch Med Sci, Dept Anat & Struct Biol, Dunedin, New Zealand. [Stockwell, Peter; Black, Mik A.] Univ Otago, Otago Sch Med Sci, Dept Biochem, Dunedin, New Zealand. [Klingeman, Dawn M.; Land, Miriam L.; Brown, Steven D.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Han, Cliff S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Martin, Stanton L.] N Carolina State Univ, Raleigh, NC 27606 USA. [Becher, S. Anette] AgResearch Ltd, Invermay Agr Ctr, Mosgiel 9053, New Zealand. [Peddie, Catherine J.; Morgan, Hugh W.] Univ Waikato, Dept Biol Sci, Hamilton, New Zealand. [Matthies, Doreen; Preiss, Laura; Meier, Thomas] Max Planck Inst Biophys, Dept Biol Struct, D-6000 Frankfurt, Germany. RP Cook, GM (reprint author), Univ Otago, Otago Sch Med Sci, Dept Microbiol & Immunol, Dunedin, New Zealand. EM gregory.cook@otago.ac.nz RI Cook, Gregory/E-5665-2011; Klingeman, Dawn/B-9415-2012; Black, Michael/F-1484-2010; Land, Miriam/A-6200-2011; Stanton, Jo-Ann/C-6621-2009; Brown, Steven/A-6792-2011; OI Klingeman, Dawn/0000-0002-4307-2560; Land, Miriam/0000-0001-7102-0031; Brown, Steven/0000-0002-9281-3898; Stanton, Jo-Ann/0000-0001-8139-4694; Black, Michael/0000-0003-1174-6054 NR 16 TC 4 Z9 4 U1 1 U2 6 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2011 VL 193 IS 16 BP 4290 EP 4291 DI 10.1128/JB.05035-11 PG 2 WC Microbiology SC Microbiology GA 798PK UT WOS:000293222600042 PM 21685297 ER PT J AU Chen, G Chacon, L Barnes, DC AF Chen, G. Chacon, L. Barnes, D. C. TI An energy- and charge-conserving, implicit, electrostatic particle-in-cell algorithm SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Implicit; Particle-in-cell; Energy conservation; Charge conservation; Electrostatic; Vlasov-Ampere; Jacobian-free Newton-Krylov; Particle enslavement; Multi-scale ID ELECTROMAGNETIC PLASMA SIMULATION; TIME INTEGRATION; LOW-FREQUENCY; 2 DIMENSIONS; SOLVER; CONSERVATION AB This paper discusses a novel fully implicit formulation for a one-dimensional electrostatic particle-in-cell (PIC) plasma simulation approach. Unlike earlier implicit electrostatic PIC approaches (which are based on a linearized Vlasov-Poisson formulation), ours is based on a nonlinearly converged Vlasov-Ampere (VA) model. By iterating particles and fields to a tight nonlinear convergence tolerance, the approach features superior stability and accuracy properties, avoiding most of the accuracy pitfalls in earlier implicit PIC implementations. In particular, the formulation is stable against temporal (Courant-Friedrichs-Lewy) and spatial (aliasing) instabilities. It is charge- and energy-conserving to numerical round-off for arbitrary implicit time steps (unlike the earlier "energy-conserving" explicit PIC formulation, which only conserves energy in the limit of arbitrarily small time steps). While momentum is not exactly conserved, errors are kept small by an adaptive particle sub-stepping orbit integrator, which is instrumental to prevent particle tunneling (a deleterious effect for long-term accuracy). The VA model is orbit-averaged along particle orbits to enforce an energy conservation theorem with particle sub-stepping. As a result, very large time steps, constrained only by the dynamical time scale of interest, are possible without accuracy loss. Algorithmically, the approach features a Jacobian-free Newton-Krylov solver. A main development in this study is the nonlinear elimination of the new-time particle variables (positions and velocities). Such nonlinear elimination, which we term particle enslavement, results in a nonlinear formulation with memory requirements comparable to those of a fluid computation, and affords us substantial freedom in regards to the particle orbit integrator. Numerical examples are presented that demonstrate the advertised properties of the scheme. In particular, long-time ion acoustic wave simulations show that numerical accuracy does not degrade even with very large implicit time steps, and that significant CPU gains are possible. (C) 2011 Elsevier Inc. All rights reserved. C1 [Chen, G.; Chacon, L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Barnes, D. C.] Coronado Consulting, Lamy, NM 87540 USA. RP Chen, G (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM gcc@ornl.gov RI Chen, Guangye /K-3192-2012 FU Oak Ridge National Laboratory (ORNL); US Department of Energy [DE-AC05-00OR22725] FX The authors would like to acknowledge useful conversations with D. del-Castillo-Negrete and R. Sanchez. L. C. would like to acknowledge useful conversations with D. A. Knoll, J. N. Shadid, and J. U. Brackbill, and the early contributions by G. Lapenta and H. J. Kim while Kim was a summer student at Los Alamos National Laboratory. This work has been funded by the Oak Ridge National Laboratory (ORNL) Directed Research and Development program (LDRD). ORNL is operated by UT-Battelle for the US Department of Energy under contract DE-AC05-00OR22725. NR 49 TC 47 Z9 47 U1 2 U2 10 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD AUG 1 PY 2011 VL 230 IS 18 BP 7018 EP 7036 DI 10.1016/j.jcp.2011.05.031 PG 19 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 799CX UT WOS:000293262200004 ER PT J AU Sessler, AM AF Sessler, Andrew M. TI Early Thoughts on the Superfluidity of Helium-3 SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Super fluid He-3; History; Quantum fluids ID LIQUID HE-3 AB The history of the people and circumstances surrounding three papers will be presented. The first is the L.N. Cooper, R. L. Mills and A. M. Sessler, "Possible Superfluidity of a System of Strongly Interacting Fermions", in which the possibility of He-3 being a superfluid was suggested (although, it seemed not to be the case as only S-states were considered). The second is V.J. Emery and A. M. Sessler, "Possible Phase Transition in Liquid He-3", in which a definite prediction of superfluidity was proposed (in contrast with the conclusion of the earlier paper since here D-states were considered). And the third is A. E. Glassgold and A. M. Sessler, "Flow Properties of Superfluid System of Fermions", in which the flow properties of superfluid He-3 were examined. Although the emphasis will be on the physicists, their background, educational experiences, and surroundings, some attention will be given to the physics in each of these papers for it was-after all-the physics that stimulated, along with the work of others, further theoretical work and, most importantly, the exceptional, and ultimately successful, experimental efforts of the following decade. C1 Lawrence Berkeley Lab, Berkeley, CA 94729 USA. RP Sessler, AM (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94729 USA. EM AMSessler@lbl.gov NR 9 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2011 VL 164 IS 3-4 SI SI BP 126 EP 139 DI 10.1007/s10909-011-0369-6 PG 14 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 798GG UT WOS:000293190000003 ER PT J AU Savukov, I Karaulanov, T Castro, A Volegov, P Matlashov, A Urbatis, A Gomez, J Espy, M AF Savukov, I. Karaulanov, T. Castro, A. Volegov, P. Matlashov, A. Urbatis, A. Gomez, J. Espy, M. TI Non-cryogenic anatomical imaging in ultra-low field regime: Hand MRI demonstration SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE Ultra-low field; Anatomical; Imaging; Low-cost; Portable; Alternative MRI ID ATOMIC MAGNETOMETER; MICROTESLA MRI; NMR; RELAXATION; STRENGTH; ACQUISITION; CONTRAST AB Ultra-low field (ULF) MRI with a pulsed prepolarization is a promising method with potential for applications where conventional high-, mid-, and low-field medical MRI cannot be used due to cost, weight, or other restrictions. Previously, successful ULF demonstrations of anatomical imaging were made using liquid helium-cooled SQUIDs and conducted inside a magnetically shielded room. The Larmor frequency for these demonstrations was similar to 3 kHz. In order to make ULF MRI more accessible, portable, and inexpensive, we have recently developed a non-cryogenic system. To eliminate the requirement for a magnetically shielded room and improve the detection sensitivity, we increased the frequency to 83.6 kHz. While the background noise at these frequencies is greatly reduced, this is still within the ULF regime and most of its advantages such as simplicity in magnetic field generation hardware, and less stringent requirements for uniform fields, remaining. In this paper we demonstrate use of this system to image a human hand with up to 1.5 mm resolution. The signal-to-noise ratio was sufficient to reveal anatomical features within a scan time of less than 7 min. This prototype can be scaled up for constructing head and full body scanners, and work is in progress toward demonstration of head imaging. Published by Elsevier Inc. C1 [Savukov, I.; Karaulanov, T.; Castro, A.; Volegov, P.; Matlashov, A.; Urbatis, A.; Gomez, J.; Espy, M.] Los Alamos Natl Lab, Appl Modern Phys Grp, Los Alamos, NM 87545 USA. RP Savukov, I (reprint author), Los Alamos Natl Lab, Appl Modern Phys Grp, MS D454, Los Alamos, NM 87545 USA. EM isavukov@lanl.gov OI Savukov, Igor/0000-0003-4190-5335; Urbaitis, Algis/0000-0002-8626-5987 FU NIH [5 R01 EB009355] FX This work is sponsored by NIH Grant 5 R01 EB009355. NR 29 TC 11 Z9 11 U1 2 U2 20 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1090-7807 J9 J MAGN RESON JI J. Magn. Reson. PD AUG PY 2011 VL 211 IS 2 BP 101 EP 108 DI 10.1016/j.jmr.2011.05.011 PG 8 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA 799UL UT WOS:000293311500001 PM 21700482 ER PT J AU Pandrea, I Wilson, C Ribeiro, R Apetrei, C Landay, A Tracy, R AF Pandrea, Ivona Wilson, Cara Ribeiro, Ruy Apetrei, Cristian Landay, Alan Tracy, Russell TI COAGULATION AND INFLAMMATION BIOMARKERS PREDICT DISEASE PROGRESSION IN SIV-INFECTED NONHUMAN PRIMATES SO JOURNAL OF MEDICAL PRIMATOLOGY LA English DT Meeting Abstract C1 [Pandrea, Ivona; Apetrei, Cristian] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA. [Wilson, Cara] Univ Colorado, Denver, CO 80202 USA. [Ribeiro, Ruy] Los Alamos Natl Lab, Los Alamos, NM USA. [Landay, Alan] Rush Univ, Med Ctr, Chicago, IL 60612 USA. [Tracy, Russell] Univ Vermont, Colchester, VT USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0047-2565 J9 J MED PRIMATOL JI J. Med. Primatol. PD AUG PY 2011 VL 40 IS 4 MA 14 BP 253 EP 253 PG 1 WC Veterinary Sciences; Zoology SC Veterinary Sciences; Zoology GA 795YL UT WOS:000293015700021 ER PT J AU Whitney, JB Lacerda, M Luedemann, C Hraber, P Rao, SS Mascola, JR Nabel, GJ Korber, B Seoighe, C Letvin, NL AF Whitney, James B. Lacerda, Miguel Luedemann, Corinne Hraber, Peter Rao, Srinivas S. Mascola, John R. Nabel, Gary J. Korber, Bette Seoighe, Cathal Letvin, Norman L. TI REDUCTION OF FOUNDER/TRANSMITTED VIRUS IN VACCINATED MONKEYS AFTER MUCOSAL SIVE660 CHALLENGE SO JOURNAL OF MEDICAL PRIMATOLOGY LA English DT Meeting Abstract C1 [Whitney, James B.; Luedemann, Corinne; Letvin, Norman L.] Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Div Viral Pathogenesis,Dept Med, Boston, MA 02215 USA. [Lacerda, Miguel; Seoighe, Cathal] Natl Univ Ireland, Sch Math Stat & Appl Math, Galway, Ireland. [Hraber, Peter; Korber, Bette] Los Alamos Natl Lab, Los Alamos, NM USA. [Rao, Srinivas S.; Mascola, John R.; Nabel, Gary J.] NIAID, Vaccine Res Ctr, Bethesda, MD 20892 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0047-2565 J9 J MED PRIMATOL JI J. Med. Primatol. PD AUG PY 2011 VL 40 IS 4 MA 61 BP 268 EP 268 PG 1 WC Veterinary Sciences; Zoology SC Veterinary Sciences; Zoology GA 795YL UT WOS:000293015700068 ER PT J AU Pandrea, I Gaufin, T Gautam, R Mandell, D Ribeiro, RM Landay, A Tracy, R Apetrei, C AF Pandrea, Ivona Gaufin, Thaidra Gautam, Rajeev Mandell, Daniel Ribeiro, Ruy M. Landay, Alan Tracy, Russell Apetrei, Cristian TI CHRONIC LPS ADMINISTRATION BOOSTS SIVAGM REPLICATION IN CHRONICALLY-INFECTED AFRICAN GREEN MONKEYS (AGMS) SO JOURNAL OF MEDICAL PRIMATOLOGY LA English DT Meeting Abstract C1 [Pandrea, Ivona; Gaufin, Thaidra; Gautam, Rajeev; Mandell, Daniel; Apetrei, Cristian] Tulane Natl Primate Res Ctr, Div Comparat Pathol, Covington, LA USA. [Pandrea, Ivona; Gaufin, Thaidra; Gautam, Rajeev; Mandell, Daniel; Apetrei, Cristian] Tulane Natl Primate Res Ctr, Div Microbiol, Covington, LA USA. [Pandrea, Ivona] Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA USA. [Pandrea, Ivona; Apetrei, Cristian] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA. [Ribeiro, Ruy M.] Los Alamos Natl Lab, Los Alamos, NM USA. [Landay, Alan] Rush Univ, Med Ctr, Chicago, IL 60612 USA. [Tracy, Russell] Univ Vermont, Colchester, VT USA. [Apetrei, Cristian] Univ Pittsburgh, Sch Med, Dept Microbiol & Mol, Pittsburgh, PA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0047-2565 J9 J MED PRIMATOL JI J. Med. Primatol. PD AUG PY 2011 VL 40 IS 4 MA 98 BP 279 EP 280 PG 2 WC Veterinary Sciences; Zoology SC Veterinary Sciences; Zoology GA 795YL UT WOS:000293015700105 ER PT J AU Whitney, JB Hraber, P Luedemann, C Bhattacharya, T Rao, SS Mascola, JR Korber, B Nabel, GJ Letvin, NL AF Whitney, James B. Hraber, Peter Luedemann, Corinne Bhattacharya, Tanmoy Rao, Srinivas S. Mascola, John R. Korber, Bette Nabel, Gary J. Letvin, Norman L. TI GENITAL TRACT SEQUESTRATION OF SIV DURING ACUTE INFECTION SO JOURNAL OF MEDICAL PRIMATOLOGY LA English DT Meeting Abstract C1 [Whitney, James B.; Luedemann, Corinne; Letvin, Norman L.] Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Div Viral Pathogenesis,Dept Med, Boston, MA 02215 USA. [Hraber, Peter; Bhattacharya, Tanmoy; Korber, Bette] Los Alamos Natl Lab, Los Alamos, NM USA. [Rao, Srinivas S.; Mascola, John R.; Nabel, Gary J.] NIAID, Vaccine Res Ctr, Bethesda, MD 20892 USA. RI Bhattacharya, Tanmoy/J-8956-2013 OI Bhattacharya, Tanmoy/0000-0002-1060-652X NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0047-2565 J9 J MED PRIMATOL JI J. Med. Primatol. PD AUG PY 2011 VL 40 IS 4 MA 110 BP 283 EP 283 PG 1 WC Veterinary Sciences; Zoology SC Veterinary Sciences; Zoology GA 795YL UT WOS:000293015700117 ER PT J AU Maciejewski, R Livengood, P Rudolph, S Collins, TF Ebert, DS Brigantic, RT Corley, CD Muller, GA Sanders, SW AF Maciejewski, Ross Livengood, Philip Rudolph, Stephen Collins, Timothy F. Ebert, David S. Brigantic, Robert T. Corley, Courtney D. Muller, George A. Sanders, Stephen W. TI A pandemic influenza modeling and visualization tool SO JOURNAL OF VISUAL LANGUAGES AND COMPUTING LA English DT Article DE Pandemic influenza; Visual analytics; Risk assessment; Geovisualization ID UNITED-STATES; INTERVENTIONS; TRANSMISSION; VACCINE; IMPACT; US AB The National Strategy for Pandemic Influenza outlines a plan for community response to a potential pandemic. In this outline, state and local communities are charged with enhancing their preparedness. In order to help public health officials better understand these charges, we have developed a visual analytics toolkit (PanViz) for analyzing the effect of decision measures implemented during a simulated pandemic influenza scenario. Spread vectors based on the point of origin and distance traveled over time are calculated and the factors of age distribution and population density are taken into effect. Healthcare officials are able to explore the effects of the pandemic on the population through a geographical spatiotemporal view, moving forward and backward through time and inserting decision points at various days to determine the impact. Linked statistical displays are also shown, providing county level summaries of data in terms of the number of sick, hospitalized and dead as a result of the outbreak. Currently, this tool has been deployed in Indiana State Department of Health planning and preparedness exercises, and as an educational tool for demonstrating the impact of social distancing strategies during the recent H1N1 (swine flu) outbreak. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Maciejewski, Ross; Livengood, Philip; Rudolph, Stephen; Collins, Timothy F.; Ebert, David S.] Purdue Univ, Visualizat & Analyt Ctr, W Lafayette, IN 47907 USA. [Brigantic, Robert T.; Corley, Courtney D.; Muller, George A.; Sanders, Stephen W.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Maciejewski, R (reprint author), Purdue Univ, Visualizat & Analyt Ctr, W Lafayette, IN 47907 USA. EM rmacieje@purdue.edu OI Ebert, David/0000-0001-6177-1296 FU Purdue University; Indiana State Department of Health; Centers for Disease Control & Prevention (CDC) [5U90TP517024-08]; U.S. Department of Homeland Security's VACCINE Center [2009-ST-061-CI0001] FX This project was conducted by Purdue University under contract with the Indiana State Department of Health and was supported by Grant Award No. 5U90TP517024-08 from the Centers for Disease Control & Prevention (CDC) as well as the U.S. Department of Homeland Security's VACCINE Center under Award Number 2009-ST-061-CI0001. Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the CDC. NR 41 TC 11 Z9 11 U1 2 U2 16 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 1045-926X J9 J VISUAL LANG COMPUT JI J. Vis. Lang. Comput. PD AUG PY 2011 VL 22 IS 4 SI SI BP 268 EP 278 DI 10.1016/j.jvlc.2011.04.002 PG 11 WC Computer Science, Software Engineering SC Computer Science GA 799YW UT WOS:000293324200003 ER PT J AU Michalak, DJ Xu, SJ Lowery, TJ Crawford, CW Ledbetter, M Bouchard, LS Wemmer, DE Budker, D Pines, A AF Michalak, David J. Xu, Shoujun Lowery, Thomas J. Crawford, C. W. Ledbetter, Micah Bouchard, Louis-S Wemmer, David E. Budker, Dmitry Pines, Alexander TI Relaxivity of Gadolinium Complexes Detected by Atomic Magnetometry SO MAGNETIC RESONANCE IN MEDICINE LA English DT Article DE atomic magnetometry; relaxivity; gadolinium ID MRI CONTRAST AGENTS; FLOW; TISSUE; TIME; NMR AB Laser atomic magnetomeby is a portable and low-cost yet highly sensitive method for low magnetic field detection. In this work, the atomic magnetometer was used in a remote-detection geometry to measure the relaxivity of aqueous gadolinium-diethylenetriamine pentaacetic acid Gd(DTPA) at the Earth's magnetic field (40 mu T). The measured relaxivity of 9.7 +/- 2.0 s(-1) mM(-1) is consistent with field-cycling experiments measured at slightly higher magnetic fields, but no cryogens or strong and homogeneous magnetic field were required for this experiment. The field-independent sensitivity of 80 fT Hz(-1/2) allowed an in vitro detection limit of similar to 10 mu M Gd(DTPA) to be measured in aqueous buffer solution. The low detection limit and enhanced relaxivity of Gd-containing complexes at Earth's field motivate continued development of atomic magnetometry toward medical applications. Magn Reson Med 66:605-608, 2011. (C) 2011 Wiley-Liss, Inc. C1 [Michalak, David J.; Xu, Shoujun; Crawford, C. W.; Bouchard, Louis-S; Pines, Alexander] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Dept Chem, Berkeley, CA 94720 USA. [Lowery, Thomas J.; Wemmer, David E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Dept Chem, Berkeley, CA 94720 USA. [Ledbetter, Micah; Budker, Dmitry] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Dept Phys, Berkeley, CA 94720 USA. RP Pines, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Dept Chem, Berkeley, CA 94720 USA. EM pines@berkeley.edu RI Budker, Dmitry/F-7580-2016 OI Budker, Dmitry/0000-0002-7356-4814 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231]; ONR MURI; Nuclear Sciences Division of the U.S. Department of Energy FX Research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-05CH11231 [Dr. Michalak, Dr. Xu, Dr. Crawford, Dr. Bouchard, and Dr. Pines], by the Nuclear Sciences Division of the U.S. Department of Energy, and by an ONR MURI grant. NR 23 TC 6 Z9 6 U1 3 U2 7 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0740-3194 J9 MAGN RESON MED JI Magn. Reson. Med. PD AUG PY 2011 VL 66 IS 2 BP 605 EP 608 DI 10.1002/mrm.22811 PG 4 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA 799AV UT WOS:000293256800033 PM 21433067 ER PT J AU Cao, Q Chumbley, LS AF Cao, Q. Chumbley, L. S. TI Electron microscopy studies of lutetium doped erbium suicide (Er0.9Lu0.1)(5)Si-4 SO MATERIALS CHARACTERIZATION LA English DT Article DE Scanning electron microscopy; Transmission electron microscopy; Rare-earth intermetallics ID R-5(SIXGE1-X)(4) ALLOYS; PHASE-RELATIONSHIPS; GD-5(SIXGE1-X)(4); SYSTEM; IDENTIFICATION; GD5SI4-GD5GE4; PLATES; GD; TB; DY AB Examination of bulk microstructures of lutetium doped erbium suicide (Er0.9Lu0.1)(5)Si-4 (space group: Pnma) using scanning and transmission electron microscopy (SEM, TEM) reveals the existence of thin plates of a hexagonal phase (space group: P6(3)/mcm) where the stoichiometric ratio in moles between the rare earths and Si is 5 to 3, i. e the 5:3 phase. The orientation relationship between the matrix and the plates was determined as [010](m)approximate to parallel to[-1010](p). This observation adds credence to the assumption that all linear features noted in alloys of the rare-earth intermetallic family R-5(SixGe1-x)(4) are of the stoichiometric ratio 5:3 and possess a common orientation relationship with the parent 5:4 alloys. (C) 2011 Elsevier Inc. All rights reserved. C1 [Cao, Q.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Cao, Q (reprint author), Iowa State Univ, Ames Lab, 206 Wilhelm Hall, Ames, IA 50011 USA. EM qcao@iastate.edu FU Ames Laboratory [DE-AC02-07CH11358]; US Department of Energy; Office of Basic Energy Sciences, Materials Science Division of the US DOE FX This work was performed at Ames Laboratory under contract no.DE-AC02-07CH11358 with the US Department of Energy. This research was supported by the Office of Basic Energy Sciences, Materials Science Division of the US DOE. The authors wish to thank N.K. Singh for preparing the arc-melted materials used in this study and also V.K. Pecharsky and K.A. Gschneidner Jr. for their support for this study. NR 18 TC 0 Z9 0 U1 0 U2 5 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 J9 MATER CHARACT JI Mater. Charact. PD AUG PY 2011 VL 62 IS 8 BP 737 EP 741 DI 10.1016/j.matchar.2011.05.003 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA 799WO UT WOS:000293317100001 ER PT J AU Calvert, AJ Preston, LA Farahbod, AM AF Calvert, Andrew J. Preston, Leiph A. Farahbod, Amir M. TI Sedimentary underplating at the Cascadia mantle-wedge corner revealed by seismic imaging SO NATURE GEOSCIENCE LA English DT Article ID SUBDUCTION ZONE; CRUSTAL STRUCTURE; NORTHERN CASCADIA; PUGET LOWLAND; WASHINGTON; TREMOR; PLATE; EARTHQUAKES; INTERFACE; HAZARDS AB Earth's largest earthquakes occur in subduction zones, along the boundary between the subducting and overriding plates(1). Non-volcanic tremor generated by slow slip between the plates is thought to originate on, or near, this boundary(2,3). Earthquakes also occur in the down-going plate as fluids are released(4), and zones of anomalously low seismic velocities observed beneath several subduction zones are interpreted to be the subducting oceanic crust(5-10). Yet, the exact location of the plate boundary remains uncertain(5). Here we interpret a three-dimensional seismic tomography model from the northern Cascadia subduction zone in the northwest USA. We find that the low-velocity zone varies considerably along the Cascadia margin. In places, we observe the low-velocity zone to crop out at the surface and separate from the descending plate at depths of 35-40 km. We argue that the low-velocity zone here cannot represent oceanic crust as previously suggested, and instead the zone mostly represents sediments that have been subducted and underplated beneath the North American continent. We also find that tremor signals correlate with the position of the low-velocity zone, implying that slow slip and tremor may be facilitated by trapped fluids and high pore fluid pressures in subducted sedimentary rocks at, or close to the plate boundary. Our results also imply that the plate boundary beneath Cascadia is much deeper than previously thought. C1 [Calvert, Andrew J.; Farahbod, Amir M.] Simon Fraser Univ, Dept Earth Sci, Burnaby, BC V5A 1S6, Canada. [Preston, Leiph A.] Sandia Natl Labs, Dept Geophys & Atmospher Sci, Albuquerque, NM 87185 USA. RP Calvert, AJ (reprint author), Simon Fraser Univ, Dept Earth Sci, 8888 Univ Dr, Burnaby, BC V5A 1S6, Canada. EM acalvert@sfu.ca FU Natural Sciences and Engineering Research Council of Canada; US Geological Survey [06HQGR0029]; Geological Survey of Canada; National Science Foundation; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank G. Abers for providing the geometry of the CAFE teleseismic profile and H. Kao for providing some tremor locations in Canada. This project was funded by the Natural Sciences and Engineering Research Council of Canada and US Geological Survey through grant 06HQGR0029. The acquisition of the various field data was supported by the US Geological Survey, the Geological Survey of Canada, the National Science Foundation, and several US and Canadian universities. 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 30 TC 27 Z9 27 U1 1 U2 17 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 J9 NAT GEOSCI JI Nat. Geosci. PD AUG PY 2011 VL 4 IS 8 BP 545 EP 548 DI 10.1038/NGEO1195 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 799HJ UT WOS:000293277100017 ER PT J AU Moehring, DL Blinov, BB AF Moehring, David L. Blinov, Boris B. TI QUANTUM OPTICS Exploring remote entanglement SO NATURE PHOTONICS LA English DT News Item C1 [Moehring, David L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Blinov, Boris B.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Moehring, DL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dlmoehr@sandia.gov; blinov@uw.edu NR 4 TC 0 Z9 1 U1 0 U2 4 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 J9 NAT PHOTONICS JI Nat. Photonics PD AUG PY 2011 VL 5 IS 8 BP 454 EP 456 PG 4 WC Optics; Physics, Applied SC Optics; Physics GA 799EF UT WOS:000293265800008 ER PT J AU Kocaman, S Aras, MS Hsieh, P McMillan, JF Biris, CG Panoiu, NC Yu, MB Kwong, DL Stein, A Wong, CW AF Kocaman, S. Aras, M. S. Hsieh, P. McMillan, J. F. Biris, C. G. Panoiu, N. C. Yu, M. B. Kwong, D. L. Stein, A. Wong, C. W. TI Zero phase delay in negative-refractive-index photonic crystal superlattices SO NATURE PHOTONICS LA English DT Article ID EXPERIMENTAL-VERIFICATION; METAMATERIALS; LIGHT; GAP; PROPAGATION; BEHAVIOR; LENS AB We show that optical beams propagating in path-averaged zero-index photonic crystal superlattices can have zero phase delay. The nanofabricated superlattices consist of alternating stacks of negative index photonic crystals and positive index homogeneous dielectric media, where the phase differences corresponding to consecutive primary unit cells are measured with integrated Mach-Zehnder interferometers. These measurements demonstrate that at path-averaged zero-index frequencies the phase accumulation remains constant and equal to zero despite the increase in the physical path length. We further demonstrate experimentally that these superlattice zero-(n) over bar bandgaps remain invariant to geometrical changes of the photonic structure and have a center frequency which is deterministically tunable. The properties of the zero-(n) over bar gap frequencies, optical phase, and effective refractive indices are well described by detailed experimental measurements, rigorous theoretical analysis, and comprehensive numerical simulations. C1 [Kocaman, S.; Aras, M. S.; Hsieh, P.; McMillan, J. F.; Wong, C. W.] Columbia Univ, Ctr Integrated Sci & Engn, Opt Nanostruct Lab, New York, NY 10027 USA. [Biris, C. G.; Panoiu, N. C.] UCL, Dept Elect & Elect Engn, Photon Grp, London WC1E 7JE, England. [Yu, M. B.; Kwong, D. L.] Inst Microelect, Singapore 117685, Singapore. [Stein, A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Kocaman, S (reprint author), Columbia Univ, Ctr Integrated Sci & Engn, Opt Nanostruct Lab, New York, NY 10027 USA. EM sk2927@columbia.edu; cww2104@columbia.edu RI Kocaman, Serdar/F-7582-2013; Panoiu, Nicolae-Coriolan/G-1256-2014 OI Panoiu, Nicolae-Coriolan/0000-0001-5666-2116 FU NSF [0747787]; NSF ECCS [1102257]; DARPA InPho; EPSRC [EP/G030502/1]; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors thank R. Chatterjee for helpful discussions and Ayse Selin Kocaman for the preparation of figures. The authors also acknowledge funding support from a NSF CAREER Award (0747787), NSF ECCS (1102257), DARPA InPho and the EPSRC (EP/G030502/1). Electron-beam nanopatterning was carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences (contract no. DE-AC02-98CH10886). The authors acknowledge the use of the UCL Legion High Performance Computing Facility and associated support services in the completion of this work. NR 50 TC 61 Z9 65 U1 3 U2 51 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 J9 NAT PHOTONICS JI Nat. Photonics PD AUG PY 2011 VL 5 IS 8 BP 499 EP 505 DI 10.1038/NPHOTON.2011.129 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA 799EF UT WOS:000293265800024 ER PT J AU Wang, GJ Geliebter, A Volkow, ND Telang, FW Logan, J Jayne, MC Galanti, K Selig, PA Han, H Zhu, W Wong, CT Fowler, JS AF Wang, Gene-Jack Geliebter, Allan Volkow, Nora D. Telang, Frank W. Logan, Jean Jayne, Millard C. Galanti, Kochavi Selig, Peter A. Han, Hao Zhu, Wei Wong, Christopher T. Fowler, Joanna S. TI Enhanced Striatal Dopamine Release During Food Stimulation in Binge Eating Disorder SO OBESITY LA English DT Article ID TEST MEAL INTAKE; DORSAL STRIATUM; ORBITOFRONTAL CORTEX; HUMAN BRAIN; RAT MODEL; REWARD; OBESITY; RESTRICTION; EATERS; METABOLISM AB Subjects with binge eating disorder (BED) regularly consume large amounts of food in short time periods. The neurobiology of BED is poorly understood. Brain dopamine, which regulates motivation for food intake, is likely to be involved. We assessed the involvement of brain dopamine in the motivation for food consumption in binge eaters. Positron emission tomography (PET) scans with [(11)C]raclopride were done in 10 obese BED and 8 obese subjects without BED. Changes in extracellular dopamine in the striatum in response to food stimulation in food-deprived subjects were evaluated after placebo and after oral methylphenidate (MPH), a drug that blocks the dopamine reuptake transporter and thus amplifies dopamine signals. Neither the neutral stimuli (with or without MPH) nor the food stimuli when given with placebo increased extracellular dopamine. The food stimuli when given with MPH significantly increased dopamine in the caudate and putamen in the binge eaters but not in the nonbinge eaters. Dopamine increases in the caudate were significantly correlated with the binge eating scores but not with BMI. These results identify dopamine neurotransmission in the caudate as being of relevance to the neurobiology of BED. The lack of correlation between BMI and dopamine changes suggests that dopamine release per se does not predict BMI within a group of obese individuals but that it predicts binge eating. C1 [Wang, Gene-Jack; Logan, Jean; Wong, Christopher T.; Fowler, Joanna S.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Wang, Gene-Jack; Fowler, Joanna S.] Mt Sinai Sch Med, Dept Psychiat, New York, NY USA. [Geliebter, Allan; Galanti, Kochavi; Selig, Peter A.] Columbia Univ, St Lukes Roosevelt Hosp, New York Obes Res Ctr, New York, NY USA. [Volkow, Nora D.] NIDA, Bethesda, MD 20892 USA. [Volkow, Nora D.; Telang, Frank W.; Jayne, Millard C.] NIAAA, Bethesda, MD USA. [Han, Hao; Zhu, Wei] SUNY Stony Brook, Dept Stat & Appl Math, Stony Brook, NY 11794 USA. RP Wang, GJ (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. EM gjwang@bnl.gov RI Han, Hao/D-5618-2015; OI Han, Hao/0000-0002-9387-7279; Logan, Jean/0000-0002-6993-9994 FU National Institute of Health [R01DA6278, R01DA06891]; National Institute on Alcoholism and Alcohol Abuse [Z01AA000550, M01RR10710]; Orexigen Therapeutics Inc.; [R01DK068603]; [R001DK074046] FX The positron emission tomography (PET) study was carried out at Brookhaven National Laboratory with infrastructure support from the U.S. Department of Energy OBER (DE-ACO2-76CH00016) and under support in part by the National Institute of Health: R01DA6278 (G.-J.W.), R01DA06891 (G.-J.W), Intramural Research Program of the National Institute on Alcoholism and Alcohol Abuse, Z01AA000550 (N.D.V., F.T., M.J.) and M01RR10710 (the General Clinical Research Center of Stony Brook University). The study components at St Luke's-Roosevelt Hospital were supported in part by R01DK068603 (A.G.) and R001DK074046 (A. G.). The recruitment and psychological screening were at St Luke's-Roosevelt Hospital. We thank David Schlyer and Michael Schueller for cyclotron operations; Donald Warner, David Alexoff and Paul Vaska for PET operations; Richard Ferrieri, Colleen Shea, Youwen Xu, Lisa Muench and Payton King for radiotracer preparation and analysis, Karen Apelskog-Torres for study protocol preparation, and Barbara Hubbard and Pauline Carter for patient care.; G.-J.W. reports having received lecture fees from and research funding from Orexigen Therapeutics Inc.; J.S.F., A.G., K.G., H.H., M.J., J.L., P.S., F.T., N.D.V., C.T.W., W.Z. declared no conflict of interest. NR 40 TC 93 Z9 94 U1 2 U2 16 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1930-7381 J9 OBESITY JI Obesity PD AUG PY 2011 VL 19 IS 8 BP 1601 EP 1608 DI 10.1038/oby.2011.27 PG 8 WC Endocrinology & Metabolism; Nutrition & Dietetics SC Endocrinology & Metabolism; Nutrition & Dietetics GA 797XI UT WOS:000293163000010 PM 21350434 ER PT J AU Zhang, LJ Luo, JW Franceschetti, A Zunger, A AF Zhang, Lijun Luo, Jun-Wei Franceschetti, Alberto Zunger, Alex TI Excitons and excitonic fine structures in Si nanowires: Prediction of an electronic state crossover with diameter changes SO PHYSICAL REVIEW B LA English DT Article ID SILICON QUANTUM DOTS; SOLAR-CELLS; STOKES SHIFT; ABSORPTION; PHOTOLUMINESCENCE; SPECTROSCOPY; PERFORMANCE; MORPHOLOGY; PHOTONICS; TRANSPORT AB Si nanowires have attracted considerable attention as promising candidates for electronic, thermoelectric, photonic, and photovoltaic devices, yet there appears to be only limited understanding of the underlying electronic and excitonic structures on all pertinent energy scales. Using atomistic pseudopotential calculations of single-particle as well as many-body states, we have identified remarkable properties of Si nanowires in three energy scales: (i) In the "high-energy" similar to 1-eV scale, we find an unusual electronic state crossover whereby the nature of the lowest unoccupied molecular orbital (LUMO) state changes its symmetry with wire diameters for [001]-oriented wires but not for [011]-oriented wires. This change leads to orbitally allowed transitions becoming orbitally forbidden below a certain critical diameter for [001] wires. (ii) In the "intermediate-energy" similar to 10(-1)-eV scale, we describe the excitonic binding, finding that in [001] wires the diameter (D) dependence of excitonic gap scales as 1/D-1.9, not as 1/D-1 as expected. The exciton binding energy increases from 52 meV at D = 7.6 nm to 85 meV at D = 3.3 nm and 128 meV at D = 2.2 nm. (iii) In the "low-energy" similar to 10(-3)-eV scale, we describe dark/bright excitonic states and predict how orbitally allowed transitions [in scale (i)] become spin-forbidden due to the electron-hole exchange interaction, whereas the spin-allowed states in the orbitally forbidden diameter region remain dark. The diameter dependence of the fine-structure splitting of excitonic states scales as 1/D-2.3 in [001] wires and as 1/D-2.6 in [011] wires. Surface-polarization effects are found to significantly enhance electron-hole Coulomb interaction, but have a small effect on the exchange fine-structure splitting. The present work provides a road map for a variety of electronic and optical effects in Si nanowires that can guide spectroscopic studies. C1 [Zhang, Lijun; Luo, Jun-Wei; Franceschetti, Alberto; Zunger, Alex] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Zhang, LJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM alex.zunger@gmail.com RI LUO, JUN-WEI/A-8491-2010; Zhang, Lijun/F-7710-2011; Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013 FU US Department of Energy, Office of Science, Basic Energy Sciences [DE-AC36-08GO28308] FX L.Z. acknowledges helpful assistance on calculations from V. Popescu. This work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, under Contract No. DE-AC36-08GO28308 to NREL. NR 51 TC 6 Z9 6 U1 0 U2 15 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 AUG 1 PY 2011 VL 84 IS 7 AR 075404 DI 10.1103/PhysRevB.84.075404 PG 9 WC Physics, Condensed Matter SC Physics GA 800AA UT WOS:000293327600012 ER PT J AU Qiu, JW Schlegel, M Vogelsang, W AF Qiu, Jian-Wei Schlegel, Marc Vogelsang, Werner TI Probing Gluonic Spin-Orbit Correlations in Photon Pair Production SO PHYSICAL REVIEW LETTERS LA English DT Article ID PRODUCTION ASYMMETRIES; TRANSVERSE-MOMENTUM; HARD-SCATTERING; CROSS-SECTIONS; SINGLE; LEPTOPRODUCTION; COLLISIONS; QCD AB We consider photon pair production in hadronic collisions at large mass and small transverse momentum of the pair, assuming that factorization in terms of transverse-momentum dependent parton distributions applies. The unpolarized cross section is found to have azimuthal angular dependencies that are generated by a gluonic version of the Boer-Mulders function. In addition, the single transversely polarized cross section is sensitive to the gluon Sivers function. We present simple numerical estimates for the Boer-Mulders and Sivers effects in diphoton production at RHIC and find that the process would offer unique opportunities for exploring transverse-momentum dependent gluon distributions. C1 [Qiu, Jian-Wei] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Qiu, Jian-Wei] SUNY Stony Brook, CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. [Schlegel, Marc; Vogelsang, Werner] Univ Tubingen, Inst Theoret Phys, D-72076 Tubingen, Germany. RP Qiu, JW (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. FU U.S. Department of Energy [DE-AC02-98CH10886] FX We thank L. Bland, D. Boer, D. de Florian, and A. Metz for helpful discussions. This work has been supported by the U.S. Department of Energy (Contract No. DE-AC02-98CH10886). NR 42 TC 40 Z9 40 U1 0 U2 1 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 AUG 1 PY 2011 VL 107 IS 6 AR 062001 DI 10.1103/PhysRevLett.107.062001 PG 5 WC Physics, Multidisciplinary SC Physics GA 800BX UT WOS:000293334100006 PM 21902314 ER PT J AU Hay, J Schwender, J AF Hay, Jordan Schwender, Joerg TI Computational analysis of storage synthesis in developing Brassica napus L. (oilseed rape) embryos: flux variability analysis in relation to C-13 metabolic flux analysis SO PLANT JOURNAL LA English DT Article DE flux balance analysis; carbon partitioning; constraint-based model; linear program; stoichiometric model ID CENTRAL CARBOHYDRATE-METABOLISM; DEVELOPING SOYBEAN COTYLEDONS; NUCLEAR-MAGNETIC-RESONANCE; SUSPENSION CELL-CULTURES; BALANCE ANALYSIS; GLUTAMATE-DEHYDROGENASE; NITROGEN ASSIMILATION; ESCHERICHIA-COLI; DEVELOPING SEEDS; PLANT AB Plant oils are an important renewable resource, and seed oil content is a key agronomical trait that is in part controlled by the metabolic processes within developing seeds. A large-scale model of cellular metabolism in developing embryos of Brassica napus (bna572) was used to predict biomass formation and to analyze metabolic steady states by flux variability analysis under different physiological conditions. Predicted flux patterns are highly correlated with results from prior C-13 metabolic flux analysis of B. napus developing embryos. Minor differences from the experimental results arose because bna572 always selected only one sugar and one nitrogen source from the available alternatives, and failed to predict the use of the oxidative pentose phosphate pathway. Flux variability, indicative of alternative optimal solutions, revealed alternative pathways that can provide pyruvate and NADPH to plastidic fatty acid synthesis. The nutritional values of different medium substrates were compared based on the overall carbon conversion efficiency (CCE) for the biosynthesis of biomass. Although bna572 has a functional nitrogen assimilation pathway via glutamate synthase, the simulations predict an unexpected role of glycine decarboxylase operating in the direction of NH4+ assimilation. Analysis of the light-dependent improvement of carbon economy predicted two metabolic phases. At very low light levels small reductions in CO2 efflux can be attributed to enzymes of the tricarboxylic acid cycle (oxoglutarate dehydrogenase, isocitrate dehydrogenase) and glycine decarboxylase. At higher light levels relevant to the C-13 flux studies, ribulose-1,5-bisphosphate carboxylase activity is predicted to account fully for the light-dependent changes in carbon balance. C1 [Hay, Jordan; Schwender, Joerg] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Hay, J (reprint author), Brookhaven Natl Lab, Dept Biol, Bldg 463, Upton, NY 11973 USA. EM jhay@bnl.gov RI Schwender, Jorg/P-2282-2014 OI Schwender, Jorg/0000-0003-1350-4171 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy [BO-133] FX This work was funded by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy through Fieldwork Proposal BO-133. The authors would like to thank the anonymous referees and the editor for their comments and suggestions that helped improve the article. NR 59 TC 51 Z9 51 U1 2 U2 25 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0960-7412 J9 PLANT J JI Plant J. PD AUG PY 2011 VL 67 IS 3 BP 513 EP 525 DI 10.1111/j.1365-313X.2011.04611.x PG 13 WC Plant Sciences SC Plant Sciences GA 798BP UT WOS:000293176600011 PM 21501261 ER PT J AU Hay, J Schwender, J AF Hay, Jordan Schwender, Joerg TI Metabolic network reconstruction and flux variability analysis of storage synthesis in developing oilseed rape (Brassica napus L.) embryos SO PLANT JOURNAL LA English DT Article DE flux balance analysis; carbon partitioning; constraint-based model; linear program; stoichiometric model ID FATTY-ACID SYNTHESIS; ESCHERICHIA-COLI; BALANCE ANALYSIS; SYSTEMIC PROPERTIES; CARBON METABOLISM; SCALE; MODEL; ARABIDOPSIS; SEEDS; PATHWAY AB Computational simulation of large-scale biochemical networks can be used to analyze and predict the metabolic behavior of an organism, such as a developing seed. Based on the biochemical literature, pathways databases and decision rules defining reaction directionality we reconstructed bna572, a stoichiometric metabolic network model representing Brassica napus seed storage metabolism. In the highly compartmentalized network about 25% of the 572 reactions are transport reactions interconnecting nine subcellular compartments and the environment. According to known physiological capabilities of developing B. napus embryos, four nutritional conditions were defined to simulate heterotrophy or photoheterotrophy, each in combination with the availability of inorganic nitrogen (ammonia, nitrate) or amino acids as nitrogen sources. Based on mathematical linear optimization the optimal solution space was comprehensively explored by flux variability analysis, thereby identifying for each reaction the range of flux values allowable under optimality. The range and variability of flux values was then categorized into flux variability types. Across the four nutritional conditions, approximately 13% of the reactions have variable flux values and 10-11% are substitutable (can be inactive), both indicating metabolic redundancy given, for example, by isoenzymes, subcellular compartmentalization or the presence of alternative pathways. About one-third of the reactions are never used and are associated with pathways that are suboptimal for storage synthesis. Fifty-seven reactions change flux variability type among the different nutritional conditions, indicating their function in metabolic adjustments. This predictive modeling framework allows analysis and quantitative exploration of storage metabolism of a developing B. napus oilseed. C1 [Hay, Jordan; Schwender, Joerg] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Hay, J (reprint author), Brookhaven Natl Lab, Dept Biol, Bldg 463, Upton, NY 11973 USA. EM jhay@bnl.gov RI Schwender, Jorg/P-2282-2014 OI Schwender, Jorg/0000-0003-1350-4171 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy [BO-133] FX This work was funded by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy through Field Work Proposal BO-133. The authors would like to thank Joachim Lonien for technical assistance and the anonymous referees and the editor for their comments and suggestions that helped to improve the manuscript. NR 79 TC 34 Z9 34 U1 0 U2 21 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0960-7412 J9 PLANT J JI Plant J. PD AUG PY 2011 VL 67 IS 3 BP 526 EP 541 DI 10.1111/j.1365-313X.2011.04613.x PG 16 WC Plant Sciences SC Plant Sciences GA 798BP UT WOS:000293176600012 PM 21501263 ER PT J AU Cress, CD Polly, SJ Hubbard, SM Raffaelle, RP Walters, RJ AF Cress, Cory D. Polly, Stephen J. Hubbard, Seth M. Raffaelle, Ryne P. Walters, Robert J. TI Demonstration of a nipi-diode photovoltaic SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE nipi diode; solar cell modeling; quantum dot solar cell; quantum well solar cell; band structure engineering; ohmic contact; etching GaAs ID DOPING SUPERLATTICES; CRYSTALS; SUPERSTRUCTURE; ELECTRON AB The simulation, growth, processing, and characterization of a three-period GaAs n-type/intrinsic/p-type/intrinsic ... (nipi) doping solar cell is demonstrated. A V-groove etching process is characterized and used to expose the multiple n-type and p-type layers for electrical connection made by interdigitated grid-finger electrodes. A five-layer photolithographic process flow is developed and used to make 1 x 1 cm(2) devices with varying grid-finger separation. Device simulations of the structure indicate that strong rectification can be achieved in the parallel-connected three period nipi GaAs solar cell structure provided the necessary semiconductor doping compensation is achieved in the region near the metal-semiconductor interfaces. Experimentally, the improvements observed in the open circuit voltage, short circuit current, and ideality of the devices following thermal annealing suggests the formation of barriers near the contacts, which support the simulation results. A comparison of the short circuit current and series resistance under illumination indicate a tradeoff between shadowing and series resistance, which may be overcome with modification to the device structure. Ultimately, these results show promise towards the development of high efficiency solar cells or radioisotope batteries, and offer a novel device structure for the incorporation of nano-structures such as quantum wells or quantum dots. Copyright (C) 2011 John Wiley & Sons, Ltd. C1 [Cress, Cory D.; Walters, Robert J.] USN, Div Elect Sci & Technol, Res Lab, Washington, DC 20375 USA. [Cress, Cory D.; Polly, Stephen J.; Hubbard, Seth M.; Raffaelle, Ryne P.] Rochester Inst Technol, NanoPower Res Lab, Rochester, NY 14623 USA. [Raffaelle, Ryne P.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. RP Cress, CD (reprint author), USN, Div Elect Sci & Technol, Res Lab, Washington, DC 20375 USA. EM nanoPV@nrl.navy.mil RI Polly, Stephen/C-1776-2015; OI Polly, Stephen/0000-0002-7563-6738; Cress, Cory/0000-0001-7563-6693 NR 19 TC 8 Z9 8 U1 1 U2 14 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1062-7995 J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD AUG PY 2011 VL 19 IS 5 BP 552 EP 559 DI 10.1002/pip.1071 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 799GK UT WOS:000293273700007 ER PT J AU Green, MA Emery, K Hishikawa, Y Warta, W Dunlop, ED AF Green, Martin A. Emery, Keith Hishikawa, Yoshihiro Warta, Wilhelm Dunlop, Ewan D. TI Solar cell efficiency tables (Version 38) SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE solar cell efficiency; photovoltaic efficiency; energy conversion efficiency ID MULTICRYSTALLINE; CONCENTRATOR AB Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined and new entries since January, 2011 are reviewed. Copyright (C) 2011 John Wiley & Sons, Ltd. C1 [Green, Martin A.] Univ New S Wales, ARC Photovolta Ctr Excellence, Sydney, NSW 2052, Australia. [Emery, Keith] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Hishikawa, Yoshihiro] Natl Inst Adv Ind Sci & Technol, Res Ctr Photovolta RCPV, Tsukuba, Ibaraki 3058568, Japan. [Warta, Wilhelm] Fraunhofer Inst Solar Energy Syst, Dept Solar Cells Mat & Technol, D-79110 Freiburg, Germany. [Dunlop, Ewan D.] Commiss European Communities, Joint Res Ctr, Renewable Energy Unit, Inst Energy, IT-21027 Ispra, VA, Italy. RP Green, MA (reprint author), Univ New S Wales, ARC Photovolta Ctr Excellence, Sydney, NSW 2052, Australia. EM m.green@unsw.edu.au NR 46 TC 225 Z9 228 U1 6 U2 74 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 EI 1099-159X J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD AUG PY 2011 VL 19 IS 5 BP 565 EP 572 DI 10.1002/pip.1150 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 799GK UT WOS:000293273700009 ER PT J AU Algaier, D Baskaran, D Dadmun, M AF Algaier, Dana Baskaran, Durairaj Dadmun, Mark TI The influence of temperature on the polymerization of ethyl cyanoacrylate from the vapor phase SO REACTIVE & FUNCTIONAL POLYMERS LA English DT Article DE Ethyl cyanoacrylate; Temperature; Vapor phase polymerization; Reaction kinetics ID SEPARATED ION PAIRS; ANIONIC-POLYMERIZATION; LATENT FINGERPRINTS; TETRABUTYLAMMONIUM SALTS; BUTYL CYANOACRYLATE; CARBANIONS AB The polymerization of ethyl cyanoacrylate fumes from surface bound initiators is an important step in many novel and mature technologies. Understanding the effect of temperature on the rate of poly(ethyl cyanoacrylate) (PECA) growth and its molecular weight during its polymerization from the vapor phase from surface bound initiators provides insight into the important mechanistic aspects that impact the polymerizations' success. In these studies, it is shown that the amount of PECA formed during the polymerization of ECA from a latent fingerprint increases with decreasing temperature, while the polymer molecular weight varies little. This is interpreted to be the result of the loosening of the ion pair that initiates the polymer chain growth and resides on the end of the growing polymer chain with decreasing temperature. Comparison of temperature effects and counter-ion studies show that in both cases loosening the ion pair results in the formation of more polymer with similar molecular weight, verifying this interpretation. These results further suggest that lowering the temperature may be an effective method to optimize anionic vapor phase polymerizations, including the improvement of the quality of aged latent prints and preliminary results are presented that substantiate this prediction. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Algaier, Dana; Baskaran, Durairaj; Dadmun, Mark] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Dadmun, Mark] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Dadmun, M (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM dad@utk.edu RI Durairaj, Baskaran/C-3692-2009 OI Durairaj, Baskaran/0000-0002-6886-5604 FU Office of Justice of the Department of Justice [2006-DN-BX-K031, 2010-DN-BX-K202] FX Funding for this project by the Office of Justice Programs of the Department of Justice (2006-DN-BX-K031 and 2010-DN-BX-K202) is gratefully acknowledged. NR 19 TC 2 Z9 2 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1381-5148 J9 REACT FUNCT POLYM JI React. Funct. Polym. PD AUG PY 2011 VL 71 IS 8 BP 809 EP 819 DI 10.1016/j.reactfunctpolym.2011.03.015 PG 11 WC Chemistry, Applied; Engineering, Chemical; Polymer Science SC Chemistry; Engineering; Polymer Science GA 799DN UT WOS:000293263800006 ER PT J AU Tan, SW Zhao, D Yuan, DQ Wang, HJ Tu, KH Wang, LQ AF Tan, Songwei Zhao, Dan Yuan, Daqiang Wang, Hongjun Tu, Kehua Wang, Li-Qun TI Influence of indomethacin-loading on the micellization and drug release of thermosensitive dextran-graft-poly(N-isopropylacrylamide) SO REACTIVE & FUNCTIONAL POLYMERS LA English DT Article DE Graft polymers; Drug delivery; Indomethacin; Nanoparticles; Thermosensitive ID POLY N-ISOPROPYLACRYLAMIDE; BLOCK-COPOLYMER MICELLES; POLY(ETHYLENE GLYCOL); POLYMERIC MICELLES; BIOLOGICAL SIGNIFICANCE; DEXTRAN COPOLYMERS; DIBLOCK COPOLYMER; AQUEOUS-SOLUTIONS; ANTICANCER DRUG; DELIVERY AB The influence of loading indomethacin (IMC) on the thermosensitive aggregation of a double hydrophilic graft copolymer dextran-graft-poly(N-isopropylacrylamide) (DgP) was studied. Before IMC-loading, DgP forms loose aggregates of unimers in aqueous solution below the lower critical solution temperature (LCST), while compact nanoparticles appear above the LCST because of the phase transition of the poly(N-isopropylacrylamide) (PNIPAAm) side chains (Topp, 1997 [31]; Motokawa, 2005 [32]; Zhao, 2006 1251). After the loading of IMC, however, uniform nanoparticles were formed even below the LCST. The hydrogen bonding between IMC and the PNIPAAm side chains is proposed as the driving force for the aggregation. The IMC release rate was accelerated at a higher temperature because of the dissociation of the hydrogen bonds. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Zhao, Dan] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Tan, Songwei; Wang, Hongjun; Tu, Kehua; Wang, Li-Qun] Zhejiang Univ, MOE Key Lab Macromol Synth & Functionalizat, Dept Polymer Sci & Engn, Hangzhou 310027, Peoples R China. [Yuan, Daqiang] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. RP Zhao, D (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zhaod@anl.gov; lqwang@zju.edu.cn RI Zhao, Dan/D-5975-2011; Tan, Song-wei/H-1789-2011; Yuan, Daqiang/F-5695-2010 OI Zhao, Dan/0000-0002-4427-2150; Tan, Song-wei/0000-0002-2986-8968; Yuan, Daqiang/0000-0003-4627-072X FU NSFC [21074112] FX The work is financially supported by NSFC (No. 21074112). NR 56 TC 12 Z9 12 U1 2 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1381-5148 J9 REACT FUNCT POLYM JI React. Funct. Polym. PD AUG PY 2011 VL 71 IS 8 BP 820 EP 827 DI 10.1016/j.reactfunctpolym.2011.05.002 PG 8 WC Chemistry, Applied; Engineering, Chemical; Polymer Science SC Chemistry; Engineering; Polymer Science GA 799DN UT WOS:000293263800007 ER PT J AU Masser, TO Wohlbier, JG Lowrie, RB AF Masser, T. O. Wohlbier, J. G. Lowrie, R. B. TI Shock wave structure for a fully ionized plasma SO SHOCK WAVES LA English DT Article DE Plasma shocks; Plasma hydrodynamics; Code verification ID RADIATIVE SHOCK; DIFFUSION AB We study planar shock wave structure in a two-temperature model of a fully ionized plasma that includes electron heat conduction and energy exchange between electrons and ions. For steady flow in a reference frame moving with the shock, the model reduces to an autonomous system of ordinary differential equations which can be numerically integrated. A phase space analysis of the differential equations provides an additional insight into the structure of the solutions. For example, below a threshold Mach number, the model produces continuous solutions, while above another threshold Mach number, the solutions contain embedded hydrodynamic shocks. Between the threshold values, the appearance of embedded shocks depends on the electron diffusivity and the electron-ion coupling term. We also find that the ion temperature may achieve a maximum value between the upstream and downstream states and away from the embedded shock. We summarize the methodology for solving for two-temperature shocks and show results for several values of shock strength and plasma parameters in order to quantify the shock structure and explore the range of possible solutions. Such solutions may be used to verify hydrodynamic codes that use similar plasma physics models. C1 [Masser, T. O.; Wohlbier, J. G.; Lowrie, R. B.] Los Alamos Natl Lab, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA. RP Masser, TO (reprint author), Los Alamos Natl Lab, Computat Phys & Methods CCS 2, Mail Stop D413,POB 1663, Los Alamos, NM 87545 USA. EM tmasser@lanl.gov OI Lowrie, Robert/0000-0001-5537-9183 FU U.S. Department of Energy [DE-AC52-06NA25396] FX This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 20 TC 5 Z9 5 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0938-1287 EI 1432-2153 J9 SHOCK WAVES JI Shock Waves PD AUG PY 2011 VL 21 IS 4 BP 367 EP 381 DI 10.1007/s00193-011-0313-3 PG 15 WC Mechanics SC Mechanics GA 798XZ UT WOS:000293246800007 ER PT J AU Shi, P Chen, C Srinivasan, R Zhang, XS Cai, T Fang, XQ Qu, SM Chen, X Li, QF AF Shi, Peng Chen, Chao Srinivasan, Ragahavan Zhang, Xuesong Cai, Tao Fang, Xiuqin Qu, Simin Chen, Xi Li, Qiongfang TI Evaluating the SWAT Model for Hydrological Modeling in the Xixian Watershed and a Comparison with the XAJ Model SO WATER RESOURCES MANAGEMENT LA English DT Article DE Hydrologic modeling; Multi-site calibration; Huaihe River; SWAT; Xinanjiang model; Water resource ID RIVER-BASIN; CALIBRATION; VALIDATION; ALGORITHMS; SIMULATION; RESOURCES; SYSTEM AB Already declining water availability in Huaihe River, the 6th largest river in China, is further stressed by climate change and intense human activities. There is a pressing need for a watershed model to better understand the interaction between land use activities and hydrologic processes and to support sustainable water use planning. In this study, we evaluated the performance of SWAT for hydrologic modeling in the Xixian River Basin, located at the headwaters of the Huaihe River, and compared its performance with the Xinanjiang (XAJ) model that has been widely used in China. Due to the lack of publicly available data, emphasis has been put on geospatial data collection and processing, especially on developing land use-land cover maps for the study area based on ground-truth information sampling. Ten-year daily runoff data (1987-1996) from four stream stations were used to calibrate SWAT and XAJ. Daily runoff data from the same four stations were applied to validate model performance from 1997 to 2005. The results show that both SWAT and XAJ perform well in the Xixian River Basin, with percentage of bias (PBIAS) less than 15%, Nash-Sutcliffe efficiency (NSE) larger than 0.69 and coefficient of determination (R(2)) larger than 0.72 for both calibration and validation periods at the four stream stations. Both SWAT and XAJ can reasonably simulate surface runoff and baseflow contributions. Comparison between SWAT and XAJ shows that model performances are comparable for hydrologic modeling. For the purposes of flood forecasting and runoff simulation, XAJ requires minimum input data preparation and is preferred to SWAT. The complex, processes-based SWAT can simultaneously simulate water quantity and quality and evaluate the effects of land use change and human activities, which makes it preferable for sustainable water resource management in the Xixian watershed where agricultural activities are intensive. C1 [Shi, Peng; Srinivasan, Ragahavan] Texas A&M Univ, Spatial Sci Lab, Dept Ecosyst Sci & Management, College Stn, TX 77843 USA. [Shi, Peng; Qu, Simin; Chen, Xi] Hohai Univ, State Key Lab Hydrol Water Resources & Hydraul En, Nanjing 210098, Peoples R China. [Shi, Peng; Chen, Chao; Zhang, Xuesong; Qu, Simin; Chen, Xi; Li, Qiongfang] Hohai Univ, Coll Water Resources & Hydrol, Nanjing 210098, Peoples R China. [Zhang, Xuesong] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Zhang, Xuesong] Univ Maryland, College Pk, MD 20740 USA. RP Srinivasan, R (reprint author), Texas A&M Univ, Spatial Sci Lab, Dept Ecosyst Sci & Management, College Stn, TX 77843 USA. EM r-srinivasan@tamu.edu RI zhang, xuesong/B-7907-2009; Zhang, Jianming/A-2994-2011; Srinivasan, R/D-3937-2009 OI Zhang, Jianming/0000-0001-7053-7696; FU Special Fund of State Key Laboratory of China [2009586412]; Ph.D. Programs Foundation of Ministry of Education, China [20090094120008]; Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China [41001011, 40901015, 51079038, 4093063]; Ministry of Water Resources of the People's Republic of China [200701031]; Program for Changjiang Scholars and Innovative Research Team in University [IRT0717]; Ministry of Education of the People's Republic of China [20064] FX The first author thanks the following financial support: the Special Fund of State Key Laboratory of China (2009586412); the Ph.D. Programs Foundation of Ministry of Education, China (20090094120008); the Fundamental Research Funds for the Central Universities; the National Natural Science Foundation of China (No. 41001011/40901015/51079038); the Commonweal Project Granted by the Ministry of Water Resources of the People's Republic of China (No. 200701031); the National Natural Science Foundation of China (No. 40930635); the Program for Changjiang Scholars and Innovative Research Team in University (IRT0717) and the Ground Project Granted by the Ministry of Education of the People's Republic of China (20064). NR 32 TC 24 Z9 25 U1 3 U2 44 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0920-4741 J9 WATER RESOUR MANAG JI Water Resour. Manag. PD AUG PY 2011 VL 25 IS 10 BP 2595 EP 2612 DI 10.1007/s11269-011-9828-8 PG 18 WC Engineering, Civil; Water Resources SC Engineering; Water Resources GA 797OH UT WOS:000293136700013 ER PT J AU Xu, L Shen, XX Xiao, Q Zhong, YJ Ye, SF Ye, XR Zhu, WD AF Xu Ling Shen Xiao-Xu Xiao Qiang Zhong Yi-Jun Ye Su-Fang Ye Xiang-Rong Zhu Wei-Dong TI Preparation, Characterization and Catalytic Properties of Pd/Fe3O4-MCNT Magnetically Recyclable Catalysts SO ACTA PHYSICO-CHIMICA SINICA LA Chinese DT Article DE Multi-walled carbon nanotubes; Magnetic composite catalyst; Polyol method; Cinnamaldehyde; Selective hydrogenation ID WALLED CARBON NANOTUBES; SELECTIVE HYDROGENATION; NANOPARTICLES; CINNAMALDEHYDE; DECORATION; SUPPORT AB A magnetic composite of multi-walled carbon nanotubes (MCNT) decorated with mono-dispersed Fe3O4 nanoparticles was prepared by a polyol method. The structure and composition of the resultant composite were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS) techniques. We found that the size of the Fe3O4 nanoparticles supported on the MCNT could be easily controlled by changing the mass ratio of the Fe3O4 precursor to the MCNT. By a subsequent polyol process, 3% (w) Pd was loaded onto a Fe3O4-MCNT composite to form Pd/Fe3O4-MCNT magnetic catalysts. The results from magnetic measurements indicated that the prepared composites before and after Pd loading possess superparamagnetic characteristics at room temperature. The prepared Pd/Fe3O4-MCNT catalysts were evaluated by the selective hydrogenation of cinnamaldehyde as a probe reaction and it showed high activity toward the conversion of cinnamaldehyde to hydrocinnamaldehyde. Under a magnetic field, the catalyst powder was easily separated from the liquid-phase reaction system. The catalyst did not show any significant degradation after four cycles indicating the good recyclability of the prepared composite catalyst. C1 [Xu Ling; Shen Xiao-Xu; Xiao Qiang; Zhong Yi-Jun; Zhu Wei-Dong] Zhejiang Normal Univ, Inst Phys Chem, Minist Educ Adv Catalysis Mat, Key Lab, Jinhua 321004, Zhejiang, Peoples R China. [Ye Su-Fang] Jinhua Coll Vocat & Technol, Jinhua 321007, Zhejiang, Peoples R China. [Ye Xiang-Rong] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Xiao, Q (reprint author), Zhejiang Normal Univ, Inst Phys Chem, Minist Educ Adv Catalysis Mat, Key Lab, Jinhua 321004, Zhejiang, Peoples R China. EM xiaoq@zjnu.cn; yjzhong@zjnu.cn FU Natural Science Foundation of Zhejiang Province, China [Y4100295]; Key Science and Technology Program of Zhejiang Provincial Colleges, China [ZD2007002]; Young Seeding Talent Plan of Zhejiang Province, China [2009R404014] FX The project was supported by the Natural Science Foundation of Zhejiang Province, China (Y4100295), Key Science and Technology Program of Zhejiang Provincial Colleges, China (ZD2007002), and Young Seeding Talent Plan of Zhejiang Province, China (2009R404014). NR 27 TC 4 Z9 6 U1 1 U2 9 PU PEKING UNIV PRESS PI BEIJING PA PEKING UNIV, CHEMISTRY BUILDING, BEIJING 100871, PEOPLES R CHINA SN 1000-6818 J9 ACTA PHYS-CHIM SIN JI Acta Phys.-Chim. Sin. PD AUG PY 2011 VL 27 IS 8 BP 1956 EP 1960 DI 10.3866/PKU.WHXB20110721 PG 5 WC Chemistry, Physical SC Chemistry GA 794ED UT WOS:000292877400026 ER PT J AU James, SA Myers, DE de Jonge, MD Vogt, S Ryan, CG Sexton, BA Hoobin, P Paterson, D Howard, DL Mayo, SC Altissimo, M Moorhead, GF Wilkins, SW AF James, Simon A. Myers, Damian E. de Jonge, Martin D. Vogt, Stefan Ryan, Chris G. Sexton, Brett A. Hoobin, Pamela Paterson, David Howard, Daryl L. Mayo, Sheridan C. Altissimo, Matteo Moorhead, Gareth F. Wilkins, Stephen W. TI Quantitative comparison of preparation methodologies for x-ray fluorescence microscopy of brain tissue SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE X-ray fluorescence microscopy; Bioinorganic chemistry; Elemental mapping; Maia detector system; Sample preparation ID SYNCHROTRON-RADIATION; NUCLEAR MICROPROBE; WILSONS-DISEASE; CELLS; COPPER; METALS; ZINC; PIXE; LOCALIZATION AB X-ray fluorescence microscopy (XFM) facilitates high-sensitivity quantitative imaging of trace metals at high spatial resolution over large sample areas and can be applied to a diverse range of biological samples. Accurate determination of elemental content from recorded spectra requires proper calibration of the XFM instrument under the relevant operating conditions. Here, we describe the manufacture, characterization, and utilization of multi-element thin-film reference foils for use in calibration of XFM measurements of biological and other specimens. We have used these internal standards to assess the two-dimensional distribution of trace metals in a thin tissue section of a rat hippocampus. The data used in this study was acquired at the XFM beamline of the Australian Synchrotron using a new 384-element array detector (Maia) and at beamline 2-ID-E at the Advanced Photon Source. Post-processing of samples by different fixation techniques was investigated, with the conclusion that differences in solvent type and sample handling can significantly alter elemental content. The present study highlights the quantitative capability, high statistical power, and versatility of the XFM technique for mapping trace metals in biological samples, e.g., brain tissue samples in order to help understand neurological processes, especially when implemented in conjunction with a high-performance detector such as Maia. C1 [James, Simon A.; Ryan, Chris G.; Sexton, Brett A.; Hoobin, Pamela; Mayo, Sheridan C.; Moorhead, Gareth F.; Wilkins, Stephen W.] CSIRO, Clayton, Vic 3168, Australia. [Myers, Damian E.] St Vincents Hosp, Dept Orthopaed Surg, Fitzroy, Vic 3065, Australia. [Myers, Damian E.] Univ Melbourne, Dept Surg, Parkville, Vic 3010, Australia. [de Jonge, Martin D.; Paterson, David; Howard, Daryl L.] Australian Synchrotron, Clayton, Vic 3168, Australia. [Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Ryan, Chris G.; Moorhead, Gareth F.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [Ryan, Chris G.] Univ Tasmania, CODES Ctr Excellence, Hobart, Tas 7001, Australia. [Altissimo, Matteo] Melbourne Ctr Nanofabricat, Clayton, Vic 3168, Australia. [Wilkins, Stephen W.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. RP James, SA (reprint author), CSIRO, Gate 5,Normanby Rd,Private Bag 33,Clayton S 3169, Clayton, Vic 3168, Australia. EM simon.a.james@csiro.au; damianem@unimelb.edu.au RI Ryan, Chris/A-6032-2011; de Jonge, Martin/C-3400-2011; Moorhead, Gareth/B-6634-2009; Mayo, Sheridan/A-4952-2010; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; James, Simon/J-5320-2012 OI Ryan, Chris/0000-0003-2891-3912; Moorhead, Gareth/0000-0002-9299-9549; Mayo, Sheridan/0000-0002-7333-5472; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; James, Simon/0000-0001-9369-3288 FU CSIRO OCE; Transport Accident Commission of Victoria through the Victorian Neurotrauma Initiative; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors would like to acknowledge Ms. Lisa Cardamone of The Department of Medicine at The Royal Melbourne Hospital for assistance with preparation of samples. This work was supported by funds from the CSIRO OCE Postdoctoral Fellowship Program (SAJ) and the Transport Accident Commission of Victoria through the Victorian Neurotrauma Initiative (DEM). This research was undertaken on the XFM beamline at the Australian Synchrotron and at beamline 2-ID-E at the APS. Use of the APS was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 43 TC 28 Z9 28 U1 1 U2 24 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD AUG PY 2011 VL 401 IS 3 BP 853 EP 864 DI 10.1007/s00216-011-4978-3 PG 12 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 795JJ UT WOS:000292970200010 PM 21533642 ER PT J AU van Eyken, JC Ciardi, DR Rebull, LM Stauffer, JR Akeson, RL Beichman, CA Boden, AF von Braun, K Gelino, DM Hoard, DW Howell, SB Kane, SR Plavchan, P Ramirez, SV Bloom, JS Cenko, SB Kasliwal, MM Kulkarni, SR Law, NM Nugent, PE Ofek, EO Poznanski, D Quimby, RM Grillmair, CJ Laher, R Levitan, D Mattingly, S Surace, JA AF van Eyken, Julian C. Ciardi, David R. Rebull, Luisa M. Stauffer, John R. Akeson, Rachel L. Beichman, Charles A. Boden, Andrew F. von Braun, Kaspar Gelino, Dawn M. Hoard, D. W. Howell, Steve B. Kane, Stephen R. Plavchan, Peter Ramirez, Solange V. Bloom, Joshua S. Cenko, S. Bradley Kasliwal, Mansi M. Kulkarni, Shrinivas R. Law, Nicholas M. Nugent, Peter E. Ofek, Eran O. Poznanski, Dovi Quimby, Robert M. Grillmair, Carl J. Laher, Russ Levitan, David Mattingly, Sean Surace, Jason A. TI THE PALOMAR TRANSIENT FACTORY ORION PROJECT: ECLIPSING BINARIES AND YOUNG STELLAR OBJECTS SO ASTRONOMICAL JOURNAL LA English DT Article DE binaries: close; binaries: eclipsing; open clusters and associations: individual (25 Ori); planets and satellites: detection; stars: pre-main sequence; techniques: photometric ID ABSOLUTE MAGNITUDE CALIBRATIONS; SPITZER-SPACE-TELESCOPE; MAJORIS TYPE BINARIES; SKY SURVEY 2MASS; LOW-MASS; CONTACT BINARIES; MONITOR PROJECT; ADDITIONAL COMPONENTS; DETACHED BINARIES; ANGULAR-MOMENTUM AB The Palomar Transient Factory (PTF) Orion project is one of the experiments within the broader PTF survey, a systematic automated exploration of the sky for optical transients. Taking advantage of the wide (3 degrees.5 x 2 degrees.3) field of view available using the PTF camera installed at the Palomar 48 inch telescope, 40 nights were dedicated in 2009 December to 2010 January to perform continuous high-cadence differential photometry on a single field containing the young (7-10 Myr) 25 Ori association. Little is known empirically about the formation of planets at these young ages, and the primary motivation for the project is to search for planets around young stars in this region. The unique data set also provides for much ancillary science. In this first paper, we describe the survey and the data reduction pipeline, and present some initial results from an inspection of the most clearly varying stars relating to two of the ancillary science objectives: detection of eclipsing binaries and young stellar objects. We find 82 new eclipsing binary systems, 9 of which are good candidate 25 Ori or Orion OB1a association members. Of these, two are potential young W UMa type systems. We report on the possible low-mass (M-dwarf primary) eclipsing systems in the sample, which include six of the candidate young systems. Forty-five of the binary systems are close (mainly contact) systems, and one of these shows an orbital period among the shortest known for W UMa binaries, at 0.2156509 +/- 0.0000071 days, with flat-bottomed primary eclipses, and a derived distance that appears consistent with membership in the general Orion association. One of the candidate young systems presents an unusual light curve, perhaps representing a semi-detached binary system with an inflated low-mass primary or a star with a warped disk, and may represent an additional young Orion member. Finally, we identify 14 probable new classical T-Tauri stars in our data, along with one previously known (CVSO 35) and one previously reported as a candidate weak-line T-Tauri star (SDSS J052700.12+010136.8). C1 [van Eyken, Julian C.; Ciardi, David R.; Akeson, Rachel L.; Beichman, Charles A.; von Braun, Kaspar; Gelino, Dawn M.; Kane, Stephen R.; Plavchan, Peter; Ramirez, Solange V.] NASA, Exoplanet Sci Inst, CALTECH, Pasadena, CA 91125 USA. [Rebull, Luisa M.; Stauffer, John R.; Hoard, D. W.] Spitzer Sci Ctr Caltech, Pasadena, CA 91125 USA. [Boden, Andrew F.] CALTECH, Caltech Opt Observ, Pasadena, CA 91125 USA. [Howell, Steve B.] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Howell, Steve B.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Bloom, Joshua S.; Cenko, S. Bradley; Poznanski, Dovi] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Kasliwal, Mansi M.; Kulkarni, Shrinivas R.; Ofek, Eran O.; Quimby, Robert M.] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Law, Nicholas M.] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Nugent, Peter E.; Poznanski, Dovi] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Grillmair, Carl J.; Laher, Russ; Surace, Jason A.] CALTECH, Jet Prop Lab, Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Levitan, David] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Mattingly, Sean] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. RP van Eyken, JC (reprint author), NASA, Exoplanet Sci Inst, CALTECH, Pasadena, CA 91125 USA. EM vaneyken@ipac.caltech.edu RI Kane, Stephen/B-4798-2013; OI Rebull, Luisa/0000-0001-6381-515X; Ciardi, David/0000-0002-5741-3047 FU Richard and Rhoda Goldman Fund; National Aeronautics and Space Administration (NASA) [NNX10AI21G, NNX1OA057G]; National Science Foundation (NSF) [AST-0908886]; JPL/Caltech FX The authors thank Cesar Briceno for providing the reference stars for zero-point calibration, and for his advice regarding field selection; and Tim Lister, Rachel Street, Andrej Prsa, David Bradstreet, Ed Guinan, and Adam Krauss, for valuable discussions and input. S. B. C. wishes to acknowledge generous support from Gary and Cynthia Bengier, the Richard and Rhoda Goldman Fund, National Aeronautics and Space Administration (NASA)/Swift grant NNX10AI21G, NASA/Fermi grant NNX1OA057G, and National Science Foundation (NSF) grant AST-0908886. Observations obtained with the Samuel Oschin Telescope at the Palomar Observatory as part of the PTF project, a scientific collaboration between the California Institute of Technology, Columbia University, Las Cumbres Observatory, the Lawrence Berkeley National Laboratory, the National Energy Research Scientific Computing Center, the University of Oxford, and the Weizmann Institute of Science. This publication makes use of data products from the Two Micron All-Sky Survey, which is a joint project of the University of Massachusetts and the Infrared Processing and Analysis Center/California Institute of Technology, funded by the National Aeronautics and Space Administration and the National Science Foundation. This work is based in part on archival data obtained with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under a contract with NASA. This research has made use of the NASA/IPAC/NExScI Star and Exoplanet Database, which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. This research has made use of the NASA/IPAC Infrared Science Archive, which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. This research has made use of the VizieR catalogue access tool, CDS, Strasbourg, France. Support for this work was provided by an award issued by JPL/Caltech. NR 71 TC 20 Z9 20 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 J9 ASTRON J JI Astron. J. PD AUG PY 2011 VL 142 IS 2 AR 60 DI 10.1088/0004-6256/142/2/60 PG 35 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 794IH UT WOS:000292888200027 ER PT J AU Hanna, S White, J Trolier, J Vernot, R Brown, M Gowardhan, A Kaplan, H Alexander, Y Moussafir, J Wang, YS Williamson, C Hannan, J Hendrick, E AF Hanna, Steven White, John Trolier, James Vernot, Rebecca Brown, Michael Gowardhan, Akshay Kaplan, Hadassah Alexander, Yehuda Moussafir, Jacques Wang, Yansen Williamson, Chatt Hannan, John Hendrick, Elizabeth TI Comparisons of JU2003 observations with four diagnostic urban wind flow and Lagrangian particle dispersion models SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Urban dispersion models; Urban wind flow; JU2003 ID OKLAHOMA-CITY; MANHATTAN; SIMULATIONS AB Urban wind flow and dispersion models are needed that can satisfactorily account for the effects of the three-dimensional (3D) building geometries but which run much faster than Computational Fluid Dynamics (CFD) models. With sufficient speed, the models can be used for rapid response and for applications where many simulations must be performed in a short time period. To satisfy this need, several diagnostic wind flow models have been developed for urban areas, where mass-consistent principles are used in combination with local wind observations to solve for the mean wind flow on domains of size ranging from a few hundred meters to several kilometers on a side, within which detailed 3-D building geometries are defined. Simple assumptions about vortex flow structures are parameterized near buildings and in street canyons. The wind flow results are used as inputs to a Lagrangian particle dispersion model (LPDM), where the needed turbulent velocities and time scales are parameterized using standard boundary layer profile formulas combined with special relations around buildings. As part of a collaborative study, with the intent of advancing each model, the developers of four of these models have run their models for two tracer releases (one daytime and one nighttime) during the Joint Urban 2003 (JU2003) field experiment. The four models are: QUIC by Los Alamos National Laboratory (LANL), 3DWF by the Army Research Laboratory, the urban Lagrangian model by the Israel Institute for Biological Research (IIBR), and Microswift/Spray (MSS) by Aria Technologies and SAIC. The comparison uses nearly identical domains and grid systems, and all models use the same input wind profile. The simulated patterns of wind fields and tracer contours are in good qualitative agreement. For wind speed near the surface, the mean model biases are less than about 20% and RMS errors are about 1-2 m s(-1). For tracer concentrations, the four models give similar quantitative results, where the mean relative biases suggest that the individual models can be sometimes as much as a factor of two high or low, and where the scatter suggests that, for all models, about 30 or 40% of the simulations are within a factor of two of observations. In most cases, the observed plume is broader than the simulated plume, and the models are biased toward slight underestimation of the dispersion of the plumes to the tall rooftops. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Hanna, Steven] Hanna Consultants, Kennebunkport, ME USA. [White, John] USA, Test & Evaluat Command, Dugway Proving Ground, UT USA. [Trolier, James; Vernot, Rebecca] Sci Applicat Int Corp, Allentown, PA USA. [Brown, Michael; Gowardhan, Akshay] Los Alamos Natl Lab, Los Alamos, NM USA. [Kaplan, Hadassah; Alexander, Yehuda] IIBR, Tel Aviv, Israel. [Moussafir, Jacques] ARIA Tech, Paris, France. [Wang, Yansen; Williamson, Chatt] USA, Res Lab, Adelphi, MD USA. [Hannan, John] US Def Threat Reduct Agcy, Alexandria, VA USA. [Hendrick, Elizabeth] Epsilon Assoc, Maynard, MA USA. RP Hanna, S (reprint author), Hanna Consultants, Kennebunkport, ME USA. EM hannaconsult@roadrunner.com OI Brown, Michael J./0000-0002-8069-0835 FU U.S. Defense Threat Reduction Agency (DTRA); LANL; U.S. Army Research Laboratory FX This research was supported by the U.S. Defense Threat Reduction Agency (DTRA). We appreciate the assistance of Rick Fry and Chris Kiley of DTRA. John White of the U.S. Army Dugway Proving Ground provided the JU2003 data archive that was used, as well as specialized plots of meteorological inputs. The QUIC model runs were supported by LANL, the 3DWF model runs were supported by the U.S. Army Research Laboratory, and the IIBR model runs were supported by that agency. NR 33 TC 13 Z9 13 U1 2 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2011 VL 45 IS 24 BP 4073 EP 4081 DI 10.1016/j.atmosenv.2011.03.058 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 796IU UT WOS:000293045800018 ER PT J AU Bahadur, R Feng, Y Russell, LM Ramanathan, V AF Bahadur, Ranjit Feng, Yan Russell, Lynn M. Ramanathan, V. TI Response to comments on "Impact of California's air pollution laws on black carbon and their implications for direct radiative forcing" by R. Bahadur et al. SO ATMOSPHERIC ENVIRONMENT LA English DT Article ID AEROSOLS AB We address possible sampling biases reported in an earlier work (Bahadur et al., 2011) relating decreases in black carbon (BC) measurements from the IMPROVE monitoring network to diesel emissions in California. A decrease in average BC concentration of between 40 and 60% is found at each site between 1988 and 2007, consistent with the statewide average of 50%. No significant regional biases are found to drive these trends, which are independent of latitude as well as mean BC concentration. We find no reason to revise the conclusions of Bahadur et al, in response to the methodological issues raised by Schichtel et al. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Bahadur, Ranjit; Feng, Yan; Russell, Lynn M.; Ramanathan, V.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Feng, Yan] Argonne Natl Labs, Argonne, IL 60439 USA. RP Bahadur, R (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. EM rbahadur@ucsd.edu NR 9 TC 1 Z9 1 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD AUG PY 2011 VL 45 IS 24 BP 4119 EP 4121 DI 10.1016/j.atmosenv.2011.04.043 PG 3 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 796IU UT WOS:000293045800025 ER PT J AU Hall, JV Schell, M Dessus-Babus, S Moore, CG Whittimore, JD Sal, M Dill, BD Wyrick, PB AF Hall, Jennifer Vanover Schell, Maria Dessus-Babus, Sophie Moore, Cheryl G. Whittimore, Judy D. Sal, Melanie Dill, Brian D. Wyrick, Priscilla B. TI The multifaceted role of oestrogen in enhancing Chlamydia trachomatis infection in polarized human endometrial epithelial cells SO CELLULAR MICROBIOLOGY LA English DT Article ID FEMALE REPRODUCTIVE-TRACT; GUINEA-PIG MODEL; IN-VITRO; GENITAL-INFECTION; STROMAL CELLS; HELA-CELLS; RECEPTOR; PROTEIN; ESTRADIOL; GROWTH AB The oestrogen receptor (ER) alpha-beta+ HEC-1B and the ER alpha+beta+ Ishikawa (IK) cell lines were investigated to dissect the effects of oestrogen exposure on several parameters of Chlamydia trachomatis infection. Antibody blockage of ER alpha or ER beta alone or simultaneously significantly decreased C. trachomatis infectivity (45-68%). Addition of the ER beta antagonist, tamoxifen, to IK or HEC-1B prior to or after chlamydial infection caused a 30-90% decrease in infectivity, the latter due to disrupted eukaryotic organelles. In vivo, endometrial glandular epithelial cells are stimulated by hormonally influenced stromal signals. Accordingly, chlamydial infectivity was significantly increased by 27% and 21% in IK and HEC-1B cells co-cultured with SHT-290 stromal cells exposed to oestrogen. Endometrial stromal cell/epithelial cell co-culture revealed indirect effects of oestrogen on phosphorylation of extracellular signal-regulated kinase and calcium-dependant phospholipase A2 and significantly increased production of interleukin (IL)-8 and IL-6 in both uninfected and chlamydiae-infected epithelial cells. These results indicate that oestrogen and its receptors play multiple roles in chlamydial infection: (i) membrane oestrogen receptors (mERs) aid in chlamydial entry into host cells, and (ii) mER signalling may contribute to inclusion development during infection. Additionally, enhancement of chlamydial infection is affected by hormonally influenced stromal signals in conjunction with direct oestrogen stimulation of the human epithelia. C1 [Hall, Jennifer Vanover; Schell, Maria; Moore, Cheryl G.; Whittimore, Judy D.; Wyrick, Priscilla B.] Tennessee State Univ, James H Quillen Coll Med, Dept Microbiol, Johnson City, TN USA. [Dessus-Babus, Sophie] Friedrich Miescher Inst Biomed Res, Basel, Switzerland. [Sal, Melanie] W Virginia Wesleyan Coll, Dept Biol & Environm Sci, Buckhannon, WV USA. [Dill, Brian D.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Wyrick, PB (reprint author), Tennessee State Univ, James H Quillen Coll Med, Dept Microbiol, Johnson City, TN USA. EM pbwyrick@etsu.edu OI Dill, Brian/0000-0002-4532-3044 NR 54 TC 9 Z9 9 U1 0 U2 9 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-5814 J9 CELL MICROBIOL JI Cell Microbiol. PD AUG PY 2011 VL 13 IS 8 BP 1183 EP 1199 DI 10.1111/j.1462-5822.2011.01608.x PG 17 WC Cell Biology; Microbiology SC Cell Biology; Microbiology GA 793TI UT WOS:000292845700007 PM 21615662 ER PT J AU Li, YL Konhauser, KO Cole, DR Phelps, TJ AF Li, Yi-Liang Konhauser, Kurt O. Cole, David R. Phelps, Tommy J. TI Mineral ecophysiological data provide growing evidence for microbial activity in banded-iron formations SO GEOLOGY LA English DT Article ID WESTERN-AUSTRALIA; FE(III) REDUCTION; BACTERIA; MAGNETITE; DECOMPOSITION; GEOCHEMISTRY; DEPOSITION; STRONTIUM; PETROLOGY; APATITE AB The phosphorus composition of banded-iron formations (BIFs) has been used as a proxy for Precambrian seawater composition and the paleoeredox state of Earth's surface environment. However, it is unclear whether the phosphorus in BIFs originally entered the sediment as a sorbed component of the iron oxyhydroxide particles, or whether it was incorporated into the biomass of marine phytoplankton. We conducted high-resolution mineral analyses and report here the first detection of an Fe(III) acetate salt, as well as nanocrystals of apatite in association with magnetite, in the 2.48 Ga Dales Gorge Member of the Brockman Iron Formation (a BIF), Hamersley, Western Australia. The clusters of apatite are similar in size and morphology to biogenic apatite crystals resulting from biomass decay in Phanerozoic marine sediments, while the formation of an Fe(III) acetate salt and magnetite not only implies the original presence of biomass in the BIF sediments, but also that organic carbon likely served as an electron donor during bacterial Fe(III) reduction. This study is important because it suggests that phytoplankton may have played a key role in the transfer of phosphorus (and other trace elements) from the photic zone to the seafloor. C1 [Li, Yi-Liang] Univ Hong Kong, Dept Earth Sci, Hong Kong, Hong Kong, Peoples R China. [Li, Yi-Liang] Univ Hong Kong, Sch Biol Sci, Hong Kong, Hong Kong, Peoples R China. [Konhauser, Kurt O.] Univ Alberta, Dept Earth & Atmospher Sci, Edmonton, AB T6G 2E3, Canada. [Cole, David R.] Ohio State Univ, Sch Earth Sci, Columbus, OH 43210 USA. [Phelps, Tommy J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Li, YL (reprint author), Univ Hong Kong, Dept Earth Sci, Hong Kong, Hong Kong, Peoples R China. OI Konhauser, Kurt/0000-0001-7722-7068 FU Hong Kong General Research Fund [HKU703008P]; Division of Chemical Sciences, Geosciences and Bio-sciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725]; Natural Sciences and Engineering Research Council of Canada FX Li was supported by the Hong Kong General Research Fund (HKU703008P). Cole was supported by the Division of Chemical Sciences, Geosciences and Bio-sciences, Office of Basic Energy Sciences, U.S. Department of Energy, contract DE-AC05-00OR22725 to Oak Ridge National Laboratory (managed and operated by UT-Battelle, LLC). Konhauser was supported by a Natural Sciences and Engineering Research Council of Canada grant. NR 43 TC 35 Z9 42 U1 0 U2 29 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 J9 GEOLOGY JI Geology PD AUG PY 2011 VL 39 IS 8 BP 707 EP 710 DI 10.1130/G32003.1 PG 4 WC Geology SC Geology GA 793LM UT WOS:000292824100001 ER PT J AU Shi, XB Ghose, S Zhong, Z Rehak, ML Kaznatcheev, K Takacs, PZ Dooryhee, E AF Shi, Xianbo Ghose, Sanjit Zhong, Zhong Rehak, Margareta L. Kaznatcheev, Konstantine Takacs, Peter Z. Dooryhee, Eric TI Surface curvatures and diffraction profiles of sagittally bent Laue crystals SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID SYNCHROTRON X-RAYS; PERFECT CRYSTALS; REFLECTIVITY; MONOCHROMATORS; GEOMETRY; OPTICS AB The performance of a bent Laue crystal monochromator crucially depends on the sagittal and meridional bending curvatures of the crystal. To optimize the design of monochromator crystals, the surface curvatures and diffraction profiles of a set of sagittally bent Laue crystals with different aspect ratios have been studied experimentally by optical metrology and X-ray measurements. The results were confirmed with finite-element analysis using large-deformation theory. The nonlinear relationship between the curvatures necessitates an experimentally determined parameter in the theoretical modeling of the diffraction profiles. By taking into account the local stress and the aspect ratio of the sagittally bent Laue crystal, the modified analytical approach successfully predicts the rocking-curve width and the integrated reflecting power. The effect of extreme sagittal bending on the rocking curve is also discussed. To retain high reflectivity, the bending curvature should not exceed its critical value for the specified crystal geometry. Furthermore, the uniformity of the bending curvatures across the crystal surface has been examined, which suggests that the minimum crystal dimension should be approximately twice the size of the beam footprint. C1 [Shi, Xianbo; Ghose, Sanjit; Zhong, Zhong; Rehak, Margareta L.; Kaznatcheev, Konstantine; Dooryhee, Eric] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Takacs, Peter Z.] Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. RP Shi, XB (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. EM xshi@bnl.gov RI dooryhee, eric/D-6815-2013 FU US Department of Energy [DE-AC02-98CH10886] FX This work was funded under contract No. DE-AC02-98CH10886 from the US Department of Energy. The authors thank Veijo Honkimaki and Manuel Sanchez del Rio from the European Synchrotron Radiation Facility for helpful discussions about this work. NR 21 TC 5 Z9 7 U1 1 U2 16 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2011 VL 44 BP 665 EP 671 DI 10.1107/S0021889811018711 PN 4 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 794SV UT WOS:000292922500001 ER PT J AU Stepanov, S Hilgart, M Yoder, DW Makarov, O Becker, M Sanishvili, R Ogata, CM Venugopalan, N Aragao, D Caffrey, M Smith, JL Fischetti, RF AF Stepanov, Sergey Hilgart, Mark Yoder, Derek W. Makarov, Oleg Becker, Michael Sanishvili, Ruslan Ogata, Craig M. Venugopalan, Nagarajan Aragao, David Caffrey, Martin Smith, Janet L. Fischetti, Robert F. TI Fast fluorescence techniques for crystallography beamlines SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID X-RAY-ABSORPTION; PROTEIN CRYSTALLOGRAPHY; MACROMOLECULAR CRYSTALLOGRAPHY; PHASE DETERMINATION; DATA-COLLECTION; CONTROL-SYSTEM; DIFFRACTION; CRYSTALS; BEAM AB This paper reports on several developments of X-ray fluorescence techniques for macromolecular crystallography recently implemented at the National Institute of General Medical Sciences and National Cancer Institute beamlines at the Advanced Photon Source. These include (i) three-band on-the-fly energy scanning around absorption edges with adaptive positioning of the fine-step band calculated from a coarse pass; (ii) on-the-fly X-ray fluorescence rastering over rectangular domains for locating small and invisible crystals with a shuttle-scanning option for increased speed; (iii) fluorescence rastering over user-specified multi-segmented polygons; and (iv) automatic signal optimization for reduced radiation damage of samples. C1 [Stepanov, Sergey; Hilgart, Mark; Yoder, Derek W.; Makarov, Oleg; Becker, Michael; Sanishvili, Ruslan; Ogata, Craig M.; Venugopalan, Nagarajan; Fischetti, Robert F.] Argonne Natl Lab, Biosci Div, GM CA CAT APS, Argonne, IL 60439 USA. [Aragao, David; Caffrey, Martin] Trin Coll Dublin, Sch Biochem & Immunol, Dublin 2, Ireland. [Smith, Janet L.] Univ Michigan, Dept Biol Chem, Inst Life Sci, Ann Arbor, MI 48109 USA. RP Stepanov, S (reprint author), Argonne Natl Lab, Biosci Div, GM CA CAT APS, 9700 S Cass Ave,Bldg 436D, Argonne, IL 60439 USA. EM sstepanov@anl.gov RI Aragao, David/A-1695-2012; OI Aragao, David/0000-0002-6551-4657; Caffrey, Martin/0000-0002-2931-4551 FU National Cancer Institute [Y1-CO-1020]; National Institute of General Medical Sciences of the NIH [Y1-GM-1104]; US Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357]; Marie Curie Intra-European Fellowship [PIEF-GA-2009-235612] FX We thank Mark Rivers (University of Chicago) for help interfacing Canberra electronics, and GM/CA CAT users for providing valuable feedback and ideas. GM/CA CAT is supported with Federal funds from the National Cancer Institute (grant No. Y1-CO-1020) and the National Institute of General Medical Sciences (grant No. Y1-GM-1104) of the NIH. Use of the Advanced Photon Source was supported by the US Department of Energy, Basic Energy Sciences, Office of Science, under contract No. DE-AC02-06CH11357. DA is supported by a Marie Curie Intra-European Fellowship (grant No. PIEF-GA-2009-235612). NR 35 TC 9 Z9 9 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2011 VL 44 BP 772 EP 778 DI 10.1107/S0021889811016748 PN 4 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 794SV UT WOS:000292922500013 PM 21808424 ER PT J AU Rademacher, N Bayarjargal, L Friedrich, A Morgenroth, W Avalos-Borja, M Vogel, SC Proffen, T Winkler, B AF Rademacher, Nadine Bayarjargal, Lkhamsuren Friedrich, Alexandra Morgenroth, Wolfgang Avalos-Borja, Miguel Vogel, Sven C. Proffen, Thomas Winkler, Bjoern TI Decomposition of W(CO)(6) at high pressures and temperatures SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID PAIR DISTRIBUTION FUNCTION; CHEMICAL-VAPOR-DEPOSITION; X-RAY-DIFFRACTION; TUNGSTEN HEXACARBONYL; TOF DIFFRACTOMETER; CRYSTAL-STRUCTURE; TEXTURE ANALYSIS; HIGH-RESOLUTION; THIN-FILMS; RAMAN AB The decomposition of hexacarbonyltungsten, W(CO)(6), has been studied. The decomposition was induced by heating W(CO)(6) in an autoclave at 523 K and pressures up to 1.8 MPa, and by laser heating in a diamond anvil cell at pressures between 5 and 18 GPa. The products have been characterized using synchrotron X-ray diffraction, pair distribution function analysis, Raman spectroscopy and scanning electron microscopy. Decomposition in the autoclave at the lower pressures resulted in the formation of a metastable tungsten carbide, W2C, with an average particle size of 1-2 nm, and an unidentified nanocrystalline tungsten oxide and nanocrystalline graphite with average particle sizes of 1-2 and 11 nm, respectively. The existence of nanocrystalline graphite was deduced from micro-Raman spectra and the graphite particle size was extracted from the intensities of the Raman modes. The high-pressure decomposition products obtained in the diamond anvil cell are the monoclinic tungsten oxide phase WO2 and the high-pressure phase W3O8(I). The approximate average size of the graphite particles formed here was 6-8 nm. The bulk modulus of W(CO)(6) is B-0 similar or equal to 13 GPa. C1 [Rademacher, Nadine; Bayarjargal, Lkhamsuren; Friedrich, Alexandra; Morgenroth, Wolfgang; Winkler, Bjoern] Goethe Univ Frankfurt, Inst Geowissensch, D-60438 Frankfurt, Germany. [Rademacher, Nadine; Vogel, Sven C.; Proffen, Thomas; Winkler, Bjoern] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Avalos-Borja, Miguel] UNAM, Ctr Nanociencias & Nanotecnol, Ensenada, BC, Mexico. [Avalos-Borja, Miguel] LINAN, Div Mat Avanzados, IPICyT, San Luis Potosi, SLP, Mexico. RP Rademacher, N (reprint author), Goethe Univ Frankfurt, Inst Geowissensch, D-60438 Frankfurt, Germany. EM rademacher@kristall.uni-frankfurt.de RI Lujan Center, LANL/G-4896-2012; Schrodt, Nadine/D-4756-2015; Proffen, Thomas/B-3585-2009; OI Schrodt, Nadine/0000-0001-6110-8320; Proffen, Thomas/0000-0002-1408-6031; Morgenroth, Wolfgang/0000-0001-8921-0052 FU Office of Science, Office of Basic Energy Sciences, US Department of Energy [DE-AC02-05CH11231, DE-AC02-06CH11357]; Los Alamos National Security LLC [DE-AC52-06NA25396]; COMPRES; Consortium for Materials Properties Research in Earth Sciences, under NSF [EAR 06-49658]; Goethe University Frankfurt; Vereinigung der Freunde und Forderer der Goethe-Universitat; LANL; BMBF [05KS7RF1] FX The authors acknowledge Dr Katherine Page, Dr Hyunjeong Kim, Dr Simon M. Clark, Dr Erick Juarez-Arellano, Florian Schroder, Jasmin Biehler and Doris Ceglarek for experimental support, and Professor Dr Alan Woodland for access to the micro-Raman spectrometer. This research has benefited from the use of the Advanced Light Source (ALS), the Advanced Photon Source (APS) and the Lujan Neutron Scattering Center. The ALS is supported by the Director, Office of Science, Office of Basic Energy Sciences, US Department of Energy, under contract No. DE-AC02-05CH11231. The APS is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357. The Lujan Center is funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. The Los Alamos National Laboratory is operated by Los Alamos National Security LLC under contract No. DE-AC52-06NA25396. This work was partially supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences, under NSF Cooperative Agreement No. EAR 06-49658, by the Goethe University Frankfurt, and by the Vereinigung der Freunde und Forderer der Goethe-Universitat. The work of NR at the Lujan Neutron Scattering Center and the Wheatley Scholar stay of BW were funded by LANL. MAB thanks Dr Arturo Ponce for providing access to the CIQA laboratory and Dr Esmeralda Saucedo for technical help. WM acknowledges financial support by the BMBF (project 05KS7RF1). NR 37 TC 1 Z9 1 U1 4 U2 23 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2011 VL 44 BP 820 EP 830 DI 10.1107/S0021889811021285 PN 4 PG 11 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 794SV UT WOS:000292922500019 ER PT J AU Allix, M Alba, MD Florian, P Fernandez-Carrion, AJ Suchomel, MR Escudero, A Suard, E Becerro, AI AF Allix, M. Alba, M. D. Florian, P. Fernandez-Carrion, A. J. Suchomel, M. R. Escudero, A. Suard, E. Becerro, A. I. TI Structural elucidation of beta-(Y,Sc)(2)Si2O7: combined use of Y-89 MAS NMR and powder diffraction SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID THORTVEITITE SC2SI2O7; CRYSTAL-STRUCTURE; SPECTROSCOPY; DISILICATE; STRENGTH; BEHAVIOR; ALUMINA; SYSTEM; GLASS AB Although the structures of pure Sc2Si2O7 and beta-Y2Si2O7 have been described in the literature using the C2/m space group, Si-29 magic angle spinning (MAS) NMR measurements of the intermediate members of the Sc2Si2O7-beta-Y2Si2O7 system indicate a lowering of the symmetry to the C2 space group. Indeed, these compositions exhibit a unique Si crystallographic site and an Si-O-Si angle lower than 180 degrees, incompatible with the C2/m space group. C2 is the only possible alternative. Space group Cm can be discarded with regard to its two different Si sites per unit cell. Moreover, Y-89 MAS NMR data have revealed the existence of two different Y sites in the structure of the intermediate members of the Sc2Si2O7-beta-Y2Si2O7 system, confirming the lowering of the symmetry to the C2 space group. The viability of the C2 model has therefore been tested and confirmed by refinement of synchrotron and neutron powder diffraction data for the different members of the system. The structural evolutions across the Sc2Si2O7-beta-Y2Si2O7 system are discussed. C1 [Alba, M. D.; Fernandez-Carrion, A. J.; Escudero, A.; Becerro, A. I.] Univ Seville, CSIC, Inst Ciencia Mat Sevilla, Seville 41092, Spain. [Allix, M.; Florian, P.] CNRS, CEMHTI UPR3079, F-45071 Orleans 2, France. [Allix, M.; Florian, P.] Univ Orleans, F-45067 Orleans 2, France. [Suchomel, M. R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Suard, E.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. RP Becerro, AI (reprint author), Univ Seville, CSIC, Inst Ciencia Mat Sevilla, Calle Amer Vespucio 49, Seville 41092, Spain. EM anieto@icmse.csic.es RI SUARD, Emmanuelle/E-9579-2012; D2B, Instrument/F-1072-2012; Florian, Pierre/C-1840-2008; BECERRO, ANA /K-3804-2014; ALBA, MD/J-6831-2014; Allix, Mathieu/C-1679-2008; Escudero, Alberto/I-2320-2016 OI SUARD, Emmanuelle/0000-0001-5966-5929; BECERRO, ANA /0000-0003-2243-5438; ALBA, MD/0000-0003-0025-3078; Allix, Mathieu/0000-0001-9317-1316; Escudero, Alberto/0000-0002-0850-6589 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Junta de Andalucia [JA FQM 06090]; European Union [MRTN-CT-2006-035957]; DGICYT [CTQ2010-14874/BQU] FX ILL beamtime was obtained using the EASY access system (http://www.ill.eu/users/applying-for-beamtime/easy-easy-access-system/; proposals EASY57 and EASY58 on D2B). Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357. AJF-C gratefully acknowledges an FPDI grant from Junta de Andalucia. This work is also supported by the European Union VI Framework Programme as an HRM Activity (contract No. MRTN-CT-2006-035957), DGICYT (project No. CTQ2010-14874/BQU) and Junta de Andalucia JA FQM 06090. NR 25 TC 9 Z9 9 U1 0 U2 12 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2011 VL 44 BP 846 EP 852 DI 10.1107/S0021889811021303 PN 4 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 794SV UT WOS:000292922500022 ER PT J AU Vogel, SC AF Vogel, Sven C. TI gsaslanguage: a GSAS script language for automated Rietveld refinements of diffraction data SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Software Review ID PROTEIN CRYSTAL-STRUCTURE; TEXTURE ANALYSIS; X-RAY AB A description of the gsaslanguage software is presented. The software provides input to and processes output from the GSAS package. It allows the development of scripts for the automatic evaluation of large numbers of data sets and provides documentation of the refinement strategies employed, thus fostering the development of efficient refinement strategies. Use of the bash shell and standard Unix text-processing tools, available natively on Linux and Mac OSX platforms and via the free cygwin software on Windows systems, make this software platform independent. C1 Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Vogel, SC (reprint author), Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, MS H805, Los Alamos, NM 87545 USA. EM sven@lanl.gov RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 NR 21 TC 16 Z9 16 U1 0 U2 13 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD AUG PY 2011 VL 44 BP 873 EP 877 DI 10.1107/S0021889811023181 PN 4 PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 794SV UT WOS:000292922500026 ER PT J AU Thomson, RK Graves, CR Scott, BL Kiplinger, JL AF Thomson, Robert K. Graves, Christopher R. Scott, Brian L. Kiplinger, Jaqueline L. TI Synthesis and Molecular Structure of (C5Me5)(2)U((OBu)-Bu-t)(SePh): A Mixed-Ligand Alkoxide-Selenide Uranium(IV) Metallocene Complex Resulting from tert-Butoxy-Trimethylsilane Elimination SO JOURNAL OF CHEMICAL CRYSTALLOGRAPHY LA English DT Article DE Single-crystal X-ray study; Uranium; Mixed-ligand; Metallocene; Selenium; Alkoxide ID ELECTRONIC-STRUCTURE; CHEMISTRY; HYDROCARBYLS; HYDRIDES AB The title compound (C5Me5)(2)U((OBu)-Bu-t)(SePh) (1) was synthesized and characterized by NMR spectroscopy, elemental analysis, and X-ray crystallography. This system represents a unique example of an actinide complex with two different group 16 elements coordinated to the metal center and the first mixed-ligand actinide alkoxide-selenide complex. The complex crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 17.830(7) , b = 14.973(6) , c = 21.254(8) , V = 5674(4) (3), Z = 8, D (calc) = 1.727 Mg/m(3). The uranium(IV) mixed-ligand alkoxide-selenide complex adopts a pseudo-tetrahedral geometry, with the tert-butoxide and phenylselenide ligands occupying the plane bisecting the metallocene unit. Structural comparisons of the complex (C5Me5)(2)U((OBu)-Bu-t)(SePh) (1) are made with related selenide and alkoxide uranium(IV) complexes. Reaction of (C5Me5)(2)U((OBu)-Bu-t)(2) with Me3Si-SePh affords the unusual alkoxide-selenide uranium(IV) complex (C5Me5)(2)U((OBu)-Bu-t)(SePh), which has been characterized by a combination of NMR spectroscopy, elemental analysis, and X-ray crystallography. C1 [Thomson, Robert K.; Graves, Christopher R.; Scott, Brian L.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Mail Stop J514, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Kiplinger, Jaqueline/B-9158-2011; G, Neela/H-3016-2014; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 FU Division of Chemical Sciences; Office of Basic Energy Science; Heavy Element Chemistry program; LANL G.T. Seaborg Institute for Transactinium Science; Los Alamos National Laboratory FX For financial support of this work, we acknowledge the Division of Chemical Sciences, Office of Basic Energy Science, Heavy Element Chemistry program, the LANL G.T. Seaborg Institute for Transactinium Science (postdoctoral fellowships to R. K. T. and C. R. G.) and the Los Alamos National Laboratory LDRD program. NR 22 TC 6 Z9 6 U1 0 U2 5 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1074-1542 J9 J CHEM CRYSTALLOGR JI J. Chem. Crystallogr. PD AUG PY 2011 VL 41 IS 8 BP 1241 EP 1244 DI 10.1007/s10870-011-0093-8 PG 4 WC Crystallography; Spectroscopy SC Crystallography; Spectroscopy GA 793QT UT WOS:000292838900029 ER PT J AU Ganguly, K Wu, RL Ollivault-Shiflett, M Goodwin, PM Silks, LA Iyer, R AF Ganguly, Kumkum Wu, Ruilian Ollivault-Shiflett, Morgane Goodwin, Peter M. Silks, Louis A., III Iyer, Rashi TI Design, synthesis, and a novel application of quorum-sensing agonists as potential drug-delivery vehicles SO JOURNAL OF DRUG TARGETING LA English DT Article DE Quorum sensing: QS; acyl-homoserine lactones: AHLs; Pseudomonas aeruginosa; biofilm; drug-delivery ID PSEUDOMONAS-AERUGINOSA BIOFILMS; HOMOSERINE LACTONE; BACTERIAL BIOFILMS; INHIBITION; EXPRESSION; ANALOGS; GENES AB Surface adhered bacterial colonies or biofilms are an important problem in medical and food industries. Bacteria use a chemical language to monitor their quorum and to express virulence factors, which eventually help them in colonization and manifestation of an infection. The LasR-LasI and RhlR-RhlI quorum-sensing (QS) systems of Pseudomonas aeruginosa control expression of virulence factors in a population density-dependent fashion. In this study we investigated the role of synthetic analogs to RhlR-RhlI system of P. aeruginosa strains (PAO-1; wild-type and mutants JP-1, PDO-100, and JP-2) responsible for production of acyl-homoserine lactones-2; butanol homoserine lactone (AHL-2; C(4) -HSL). We synthesized double (QS1207) and single (QS0108) sulfur analogs against (C(4) -HSL; AHL-2), an autoinducer of Pseudomonas QS system. Extensive biological investigation of these analogs suggested a growth promoting activity for these analogs in Pseudomonas controlling biofilm production and exo-protease secretion. We hypothesized that these thiolactone analogs could be potentially utilized as potent drug-delivery vehicles against biofilm-producing pathogens. As a proof of principle we conjugated the single sulfur analog QS0108 with the broad-spectrum antibiotic, ciprofloxacin (QS0108-Cip). The QS analog-antibiotic conjugate was significantly more effective at disrupting both the nascent and mature biofilms of P. aeruginosa than the free antibiotic. C1 [Ganguly, Kumkum; Wu, Ruilian; Ollivault-Shiflett, Morgane; Silks, Louis A., III; Iyer, Rashi] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Goodwin, Peter M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Iyer, R (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663,Mail Stop M888, Los Alamos, NM 87545 USA. EM rashi@lanl.gov OI Silks, Pete/0000-0002-2993-5630 FU Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory [DE-AC52-06NA25396]; Los Alamos National Laboratory [12/551,994] FX The authors would like to thank Dr. B. Iglewski, University of Rochester, NY, for providing the Pseudomonas mutant strains. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory (contract DE-AC52-06NA25396).; This work was supported by Los Alamos National Laboratory, LDRD-ER program (US patent number 12/551,994). NR 28 TC 4 Z9 4 U1 0 U2 13 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND SN 1061-186X J9 J DRUG TARGET JI J. Drug Target. PD AUG PY 2011 VL 19 IS 7 BP 528 EP 539 DI 10.3109/1061186X.2010.519032 PG 12 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA 793RO UT WOS:000292841000006 PM 20883084 ER PT J AU Wesolowski, DE Rodriguez, MA Mckenzie, BB Papenguth, HW AF Wesolowski, D. E. Rodriguez, M. A. Mckenzie, B. B. Papenguth, H. W. TI Low-hazard metallography of moisture-sensitive electrochemical cells SO JOURNAL OF MICROSCOPY LA English DT Article DE Lithium battery; metallography; molten salt ID BATTERY AB A low-hazard approach is presented to prepare metallographic cross-sections of moisture-sensitive battery components. The approach is tailored for evaluation of thermal (molten salt) batteries composed of thin pressed-powder pellets, but has general applicability to other battery electrochemistries. Solution-cast polystyrene is used to encapsulate cells before embedding in epoxy. Nonaqueous grinding and polishing are performed in an industrial dry room to increase throughput. Lapping oil is used as a lubricant throughout grinding. Hexane is used as the solvent throughout processing; occupational exposure levels are well below the limits. Light optical and scanning electron microscopy on cross-sections are used to analyse a thermal battery cell. Spatially resolved X-ray diffraction on oblique angle cut cells complement the metallographic analysis. C1 [Wesolowski, D. E.; Papenguth, H. W.] Sandia Natl Labs, Power Sources Technol Grp, Livermore, CA 94550 USA. RP Wesolowski, DE (reprint author), Sandia Natl Labs, Power Sources Technol Grp, Livermore, CA 94550 USA. EM dewesol@sandia.gov FU U.S. 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 Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 15 TC 2 Z9 2 U1 2 U2 5 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0022-2720 J9 J MICROSC-OXFORD JI J. Microsc.. PD AUG PY 2011 VL 243 IS 2 BP 197 EP 205 DI 10.1111/j.1365-2818.2011.03494.x PG 9 WC Microscopy SC Microscopy GA 793TD UT WOS:000292845200009 PM 21477264 ER PT J AU Volkow, ND Tomasi, D Wang, GJ Fowler, JS Telang, F Goldstein, RZ Alia-Klein, N Woicik, P Wong, C Logan, J Millard, J Alexoff, D AF Volkow, N. D. Tomasi, D. Wang, G-J Fowler, J. S. Telang, F. Goldstein, R. Z. Alia-Klein, N. Woicik, P. Wong, C. Logan, J. Millard, J. Alexoff, D. TI Positive emotionality is associated with baseline metabolism in orbitofrontal cortex and in regions of the default network SO MOLECULAR PSYCHIATRY LA English DT Article DE brain glucose metabolism; brain imaging; personality; prefrontal cortex; substance use disorder; vulnerability ID ANTERIOR CINGULATE CORTEX; POSITRON-EMISSION-TOMOGRAPHY; CEREBRAL GLUCOSE-METABOLISM; NEUROBIOLOGICAL BASIS; DECISION-MAKING; SUBSTANCE USE; DRUG-ABUSE; BRAIN; ADDICTION; COCAINE AB Positive emotionality (PEM) (personality construct of well-being, achievement/motivation, social and closeness) has been associated with striatal dopamine D2 receptor availability in healthy controls. As striatal D2 receptors modulate activity in orbitofrontal cortex (OFC) and cingulate (brain regions that process natural and drug rewards), we hypothesized that these regions underlie PEM. To test this, we assessed the correlation between baseline brain glucose metabolism (measured with positron emission tomography and [(18)F] fluoro-deoxyglucose) and scores on PEM (obtained from the multidimensional personality questionnaire or MPQ) in healthy controls (n = 47). Statistical parametric mapping (SPM) analyses revealed that PEM was positively correlated (P(c) < 0.05, voxel corrected) with metabolism in various cortical regions that included orbitofrontal (Brodman area, BA 11, 47) and cingulate (BA 23, 32) and other frontal (BA 10, 9), parietal (precuneus, BA 40) and temporal (BA 20, 21) regions that overlap with the brain's default mode network (DMN). Correlations with the other two main MPQ personality dimensions (negative emotionality and constraint) were not significant (SPM P(c) < 0.05). Our results corroborate an involvement of orbitofrontal and cingulate regions in PEM, which is considered a trait that protects against substance use disorders. As dysfunction of OFC and cingulate is a hallmark of addiction, these findings support a common neural basis underlying protective personality factors and brain dysfunction underlying substance use disorders. In addition, we also uncovered an association between PEM and baseline metabolism in regions from the DMN, which suggests that PEM may relate to global cortical processes that are active during resting conditions (introspection, mind wandering). Molecular Psychiatry (2011) 16, 818-825; doi:10.1038/mp.2011.30; published online 12 April 2011 C1 [Volkow, N. D.] Natl Inst Drug Abuse, Bethesda, MD 20892 USA. [Volkow, N. D.; Tomasi, D.; Telang, F.; Millard, J.] NIAAA, Bethesda, MD USA. [Wang, G-J; Fowler, J. S.; Goldstein, R. Z.; Alia-Klein, N.; Woicik, P.; Wong, C.; Logan, J.; Alexoff, D.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Volkow, ND (reprint author), Natl Inst Drug Abuse, 6001 Execut Blvd,Room 5274,MSC 9581, Bethesda, MD 20892 USA. EM nvolkow@nida.nih.gov RI Tomasi, Dardo/J-2127-2015 FU National Institutes of Health [AA 09481] FX This research was supported by the National Institutes of Health (Intramural Research Program of the National Institute on Alcoholism and Alcohol Abuse and Grant AA 09481). We thank David Schlyer for cyclotron operations, Colleen Shea and Youwen Xu for radiotracer synthesis, Pauline Carter for nursing care, Karen Apelskog for protocol coordination and Ruben Baler and Linda Thomas for editorial assistance. NR 44 TC 22 Z9 22 U1 1 U2 10 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1359-4184 J9 MOL PSYCHIATR JI Mol. Psychiatr. PD AUG PY 2011 VL 16 IS 8 BP 818 EP 825 DI 10.1038/mp.2011.30 PG 8 WC Biochemistry & Molecular Biology; Neurosciences; Psychiatry SC Biochemistry & Molecular Biology; Neurosciences & Neurology; Psychiatry GA 795UQ UT WOS:000293001800007 PM 21483434 ER PT J AU Chandler, DW AF Chandler, David W. TI ATOM-MOLECULE INTERACTIONS Beyond billiard-ball collisions SO NATURE CHEMISTRY LA English DT News Item ID DIFFERENTIAL CROSS-SECTIONS; NO; DYNAMICS C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Chandler, DW (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. EM chand@sandia.gov NR 11 TC 0 Z9 0 U1 3 U2 21 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 J9 NAT CHEM JI Nat. Chem. PD AUG PY 2011 VL 3 IS 8 BP 574 EP 575 DI 10.1038/nchem.1098 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 795TQ UT WOS:000292999100004 PM 21778971 ER PT J AU Qiao, BT Wang, AQ Yang, XF Allard, LF Jiang, Z Cui, YT Liu, JY Li, J Zhang, T AF Qiao, Botao Wang, Aiqin Yang, Xiaofeng Allard, Lawrence F. Jiang, Zheng Cui, Yitao Liu, Jingyue Li, Jun Zhang, Tao TI Single-atom catalysis of CO oxidation using Pt-1/FeOx SO NATURE CHEMISTRY LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; LOW-TEMPERATURE OXIDATION; PLATINUM CLUSTERS; SELECTIVE OXIDATION; GOLD NANOPARTICLES; CARBON-MONOXIDE; ACTIVE GOLD; ADSORPTION; SURFACES; HYDROGEN AB Platinum-based heterogeneous catalysts are critical to many important commercial chemical processes, but their efficiency is extremely low on a per metal atom basis, because only the surface active-site atoms are used. Catalysts with single-atom dispersions are thus highly desirable to maximize atom efficiency, but making them is challenging. Here we report the synthesis of a single-atom catalyst that consists of only isolated single Pt atoms anchored to the surfaces of iron oxide nanocrystallites. This single-atom catalyst has extremely high atom efficiency and shows excellent stability and high activity for both CO oxidation and preferential oxidation of CO in H-2. Density functional theory calculations show that the high catalytic activity correlates with the partially vacant 5d orbitals of the positively charged, high-valent Pt atoms, which help to reduce both the CO adsorption energy and the activation barriers for CO oxidation. C1 [Qiao, Botao; Wang, Aiqin; Liu, Jingyue; Zhang, Tao] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China. [Yang, Xiaofeng; Li, Jun] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China. [Allard, Lawrence F.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Jiang, Zheng] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China. [Cui, Yitao] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China. [Liu, Jingyue] Univ Missouri, Dept Phys & Astron, Ctr Nanosci, St Louis, MO 63121 USA. [Liu, Jingyue] Univ Missouri, Dept Chem & Biochem, St Louis, MO 63121 USA. RP Qiao, BT (reprint author), Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China. EM liuj@umsl.edu; junli@tsinghua.edu.cn; taozhang@dicp.ac.cn RI Li, Jun/E-5334-2011; Cui, Yitao/C-5704-2008 OI Li, Jun/0000-0002-8456-3980; Cui, Yitao/0000-0001-7104-0059 FU National Science Foundation of China [20325620, 20773124]; Ministry of Science and Technology of China [NKBRSF 2007CB815200, 2011CB932400]; US Department of Energy, Office of Energy Efficiency and Renewable Energy FX We thank Y. Huang, S. Zhang, T. Hu, J. Zhang, Y. Xie and L. Zheng for their help in the EXAFS measurements and data analysis, and L. Li for infrared measurements and discussion. We also acknowledge E. Okunishi for assistance on operating the JEM ARM-200F TEM/STEM. Particularly, we thank Jeffrey T. Miller for his suggestions and comments on EXAFS analysis during the manuscript revision process. Financial support for this research work from the National Science Foundation of China (20325620, 20773124) and the Ministry of Science and Technology of China (NKBRSF 2007CB815200, 2011CB932400) is also acknowledged. Part of the electron microscopy work was conducted at the Oak Ridge National Laboratory's High Temperature Materials Laboratory, sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. The calculations were performed at the Shanghai Supercomputing Center and the Computer Network Information Center, Chinese Academy of Sciences. NR 50 TC 472 Z9 479 U1 220 U2 1018 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 J9 NAT CHEM JI Nat. Chem. PD AUG PY 2011 VL 3 IS 8 BP 634 EP 641 DI 10.1038/NCHEM.1095 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 795TQ UT WOS:000292999100017 PM 21778984 ER PT J AU Kiener, D Hosemann, P Maloy, SA Minor, AM AF Kiener, D. Hosemann, P. Maloy, S. A. Minor, A. M. TI In situ nanocompression testing of irradiated copper SO NATURE MATERIALS LA English DT Article ID STACKING-FAULT TETRAHEDRON; MOLECULAR-DYNAMICS; SINGLE-CRYSTALS; FCC METALS; NEUTRON-IRRADIATION; DEFORMATION; PLASTICITY; NANOINDENTATION; SIMULATIONS; STRENGTH AB Increasing demand for energy and reduction of carbon dioxide emissions has revived interest in nuclear energy. Designing materials for radiation environments necessitates a fundamental understanding of how radiation-induced defects alter mechanical properties. Ion beams create radiation damage efficiently without material activation, but their limited penetration depth requires small-scale testing. However, strength measurements of nanoscale irradiated specimens have not been previously performed. Here we show that yield strengths approaching macroscopic values are measured from irradiated similar to 400 nm-diameter copper specimens. Quantitative in situ nanocompression testing in a transmission electron microscope reveals that the strength of larger samples is controlled by dislocation-irradiation defect interactions, yielding size-independent strengths. Below similar to 400 nm, size-dependent strength results from dislocation source limitation. This transition length-scale should be universal, but depends on material and irradiation conditions. We conclude that for irradiated copper, and presumably related materials, nanoscale in situ testing can determine bulk-like yield strengths and simultaneously identify deformation mechanisms. C1 [Kiener, D.; Minor, A. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Hosemann, P.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Kiener, D.; Minor, A. M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Maloy, S. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiener, D (reprint author), Univ Leoben, Dept Mat Phys, A-8700 Leoben, Austria. EM daniel.kiener@unileoben.ac.at RI Kiener, Daniel/B-2202-2008; Maloy, Stuart/A-8672-2009; OI Kiener, Daniel/0000-0003-3715-3986; Maloy, Stuart/0000-0001-8037-1319; Hosemann, Peter/0000-0003-2281-2213 FU Berkeley Nuclear Research Centre (BNRC), established by the University of California Office of the President; UC-National Laboratory; Austrian Science Fund (FWF) through the Erwin Schrodinger fellowship [J2834-N20]; US Department of Energy [DE-AC02-05CH11231] FX Funding was provided by the Berkeley Nuclear Research Centre (BNRC), established by the University of California Office of the President and the UC-National Laboratory Fee Research Program. D.K. gratefully acknowledges the financial support of the Austrian Science Fund (FWF) through the Erwin Schrodinger fellowship J2834-N20 and help with high-resolution imaging from Z. Zhang at the Erich Schmid Institute. The in situ TEM experiments were performed at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, which is supported by the US Department of Energy under Contract # DE-AC02-05CH11231. The ion-beam irradiation was performed with the support of the staff at the Ion Beam Materials Laboratory at Los Alamos National Laboratory. The authors acknowledge inspiring discussions with T. E. Mitchell. NR 36 TC 96 Z9 98 U1 14 U2 141 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 J9 NAT MATER JI Nat. Mater. PD AUG PY 2011 VL 10 IS 8 BP 608 EP 613 DI 10.1038/NMAT3055 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 795TY UT WOS:000293000000021 PM 21706011 ER PT J AU Delaire, O Ma, J Marty, K May, AF McGuire, MA Du, MH Singh, DJ Podlesnyak, A Ehlers, G Lumsden, MD Sales, BC AF Delaire, O. Ma, J. Marty, K. May, A. F. McGuire, M. A. Du, M-H. Singh, D. J. Podlesnyak, A. Ehlers, G. Lumsden, M. D. Sales, B. C. TI Giant anharmonic phonon scattering in PbTe SO NATURE MATERIALS LA English DT Article ID THERMOELECTRIC-MATERIALS; MODES AB Understanding the microscopic processes affecting the bulk thermal conductivity is crucial to develop more efficient thermoelectric materials. PbTe is currently one of the leading thermoelectric materials, largely thanks to its low thermal conductivity. However, the origin of this low thermal conductivity in a simple rocksalt structure has so far been elusive. Using a combination of inelastic neutron scattering measurements and first-principles computations of the phonons, we identify a strong anharmonic coupling between the ferroelectric transverse optic mode and the longitudinal acoustic modes in PbTe. This interaction extends over a large portion of reciprocal space, and directly affects the heat-carrying longitudinal acoustic phonons. The longitudinal acoustic-transverse optic anharmonic coupling is likely to play a central role in explaining the low thermal conductivity of PbTe. The present results provide a microscopic picture of why many good thermoelectric materials are found near a lattice instability of the ferroelectric type. C1 [Delaire, O.; Ma, J.; Marty, K.; Podlesnyak, A.; Ehlers, G.; Lumsden, M. D.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [May, A. F.; McGuire, M. A.; Du, M-H.; Singh, D. J.; Sales, B. C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Delaire, O (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM delaireoa@ornl.gov RI May, Andrew/E-5897-2011; McGuire, Michael/B-5453-2009; Instrument, CNCS/B-4599-2012; Du, Mao-Hua/B-2108-2010; Singh, David/I-2416-2012; Podlesnyak, Andrey/A-5593-2013; Ma, Jie/C-1637-2013; Ehlers, Georg/B-5412-2008; Lumsden, Mark/F-5366-2012 OI May, Andrew/0000-0003-0777-8539; McGuire, Michael/0000-0003-1762-9406; Du, Mao-Hua/0000-0001-8796-167X; Podlesnyak, Andrey/0000-0001-9366-6319; Ehlers, Georg/0000-0003-3513-508X; Lumsden, Mark/0000-0002-5472-9660 FU US Department of Energy (DOE), Office of Basic Energy Sciences, as part of the S3TEC Energy Frontier Research Center [DOE DE-SC0001299]; Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE; US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division FX We thank M. E. Hagen, J. L. Robertson and S. E. Nagler for discussions. The neutron scattering and theory work was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences, as part of the S3TEC Energy Frontier Research Center, DOE DE-SC0001299. The Research at Oak Ridge National Laboratory's Spallation Neutron Source and High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE. B.C.S., A.F.M. and M.A.M. acknowledge support from the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 29 TC 179 Z9 179 U1 8 U2 202 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 J9 NAT MATER JI Nat. Mater. PD AUG PY 2011 VL 10 IS 8 BP 614 EP 619 DI 10.1038/NMAT3035 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 795TY UT WOS:000293000000022 PM 21642983 ER PT J AU Liu, N Tang, ML Hentschel, M Giessen, H Alivisatos, AP AF Liu, Na Tang, Ming L. Hentschel, Mario Giessen, Harald Alivisatos, A. Paul TI Nanoantenna-enhanced gas sensing in a single tailored nanofocus SO NATURE MATERIALS LA English DT Article ID PALLADIUM MESOWIRE ARRAYS; METAL NANOPARTICLES; SURFACE-PLASMONS; RAMAN-SPECTROSCOPY; HYDROGEN SENSORS; THIN-FILMS; NANOSTRUCTURES; SCATTERING; NANOSCALE; SWITCHES AB Metallic nanostructures possess plasmonic resonances that spatially confine light on the nanometre scale. In the ultimate limit of a single nanostructure, the electromagnetic field can be strongly concentrated in a volume of only a few hundred nm(3) or less. This optical nanofocus is ideal for plasmonic sensing. Any object that is brought into this single spot will influence the optical nanostructure resonance with its dielectric properties. Here, we demonstrate antenna-enhanced hydrogen sensing at the single-particle level. We place a single palladium nanoparticle near the tip region of a gold nanoantenna and detect the changing optical properties of the system on hydrogen exposure by dark-field microscopy. Our method avoids any inhomogeneous broadening and statistical effects that would occur in sensors based on nanoparticle ensembles. Our concept paves the road towards the observation of single catalytic processes in nanoreactors and biosensing on the single-molecule level. C1 [Liu, Na; Tang, Ming L.; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Liu, Na; Tang, Ming L.; Alivisatos, A. Paul] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Hentschel, Mario; Giessen, Harald] Univ Stuttgart, Inst Phys, D-70569 Stuttgart, Germany. [Hentschel, Mario; Giessen, Harald] Univ Stuttgart, Res Ctr SCoPE, D-70569 Stuttgart, Germany. RP Liu, N (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM APAlivisatos@lbl.gov RI Liu, Na/C-8190-2014; Hentschel, Mario/N-2093-2015; Alivisatos , Paul /N-8863-2015 OI Alivisatos , Paul /0000-0001-6895-9048 FU Molecular Foundry at the National Center for Electron Microscopy at Lawrence Berkeley National Laboratory; US Department of Energy [DE-AC03-76SF00098]; Air Force Office of Science Research [FA9550-10-1-0504]; Deutsche Forschungsgemeinschaft [SPP1391, FOR557]; BMBF [13N9048, 13N10146]; Landesstiftung BW FX We would like to thank X. Meng for help with the metal deposition at the Microlab Facility of the Electrical Engineering and Computer Science Department, University of California, Berkeley. The SEM studies were supported by the Molecular Foundry at the National Center for Electron Microscopy at Lawrence Berkeley National Laboratory. The experimental set-up was funded by the grant "A Synergistic Approach to the Development of New Classes of Hydrogen Storage Materials" from the US Department of Energy, DE-AC03-76SF00098. We acknowledge S. Hein for his material visualizations. We thank Th. Schumacher and M. Lippitz for discussions and comments. We thank A. Tittl and N. Strohfeldt for help with the measurements and data analysis. N.L., M.L.T. and A.P.A. acknowledge financial support through the Plasmonic-Enhanced Catalysis Project of the Air Force Office of Science Research, award number FA9550-10-1-0504. M.H. and H.G. were financially supported by Deutsche Forschungsgemeinschaft (SPP1391 and FOR557), by BMBF (13N9048 and 13N10146) and by Landesstiftung BW. NR 59 TC 417 Z9 420 U1 31 U2 421 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 AUG PY 2011 VL 10 IS 8 BP 631 EP 636 DI 10.1038/NMAT3029 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 795TY UT WOS:000293000000025 PM 21572410 ER PT J AU Qian, HJ Murphy, JB Shen, Y Tang, CX Wang, XJ AF Qian, H. J. Murphy, J. B. Shen, Y. Tang, C. X. Wang, X. J. TI Experimental optimization of the 6-dimentional electron beam emittance at the NSLS SDL SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE RF gun; High-brightness electron beam; Photocathode; Timing jitter; Free-electron laser ID LASER; GENERATION; OPERATION; RF AB Experimental optimization of the 6-dimensional electron beam emittance generated by a Magnesium (Mg) photocathode RF gun is presented in this report. A new electron beam optimization algorithm for a low charge ( < 100 pC) beam was experimentally demonstrated: where the electron beam velocity bunching inside the RF gun plays a critical role, and the transverse emittance as a function of the laser-RF timing jitter was experimentally characterized for the first time. A 20 pC electron beam was optimized to have a normalized slice emittance of 0.15 mm mrad and a longitudinal projected emittance of 3.9 ps key. Furthermore, the upper limit of the measured thermal emittance-0.5 mm mrad per mm of the rms laser size, is about 50% lower than the theoretical prediction for a Mg cathode (Qian et al., 2010) [1]. (C) 2011 Elsevier B.V. All rights reserved. C1 [Qian, H. J.; Murphy, J. B.; Shen, Y.; Wang, X. J.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Qian, H. J.; Tang, C. X.] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. RP Wang, XJ (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source, Bldg 725C, Upton, NY 11973 USA. EM wangx@bnl.gov FU NSLS; US Department of Energy (DOE) [DE-AC02-98CH1-886]; BNL Laboratory Directed Research and Development (LDRD) [08-037]; National Natural Science Foundation of China [10735050] FX We would like to acknowledge technical support from M. Fulkerson. We are grateful for support from the NSLS. This work is supported in part by US Department of Energy (DOE) under Contract no. DE-AC02-98CH1-886, BNL Laboratory Directed Research and Development (LDRD) 08-037, and the National Natural Science Foundation of China Grant no 10735050. NR 24 TC 0 Z9 0 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2011 VL 646 IS 1 BP 22 EP 26 DI 10.1016/j.nima.2011.05.012 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 792AP UT WOS:000292713200004 ER PT J AU Anderson, W Azmoun, B Cherlin, A Chi, CY Citron, Z Connors, M Dubey, A Durham, JM Fraenkel, Z Hemmick, T Kamin, J Kozlov, A Lewis, B Makek, M Milov, A Naglis, M Pantuev, V Pisani, R Proissl, M Ravinovich, I Rolnick, S Sakaguchi, T Sharma, D Stoll, S Sun, J Tserruya, I Woody, C AF Anderson, W. Azmoun, B. Cherlin, A. Chi, C. Y. Citron, Z. Connors, M. Dubey, A. Durham, J. M. Fraenkel, Z. Hemmick, T. Kamin, J. Kozlov, A. Lewis, B. Makek, M. Milov, A. Naglis, M. Pantuev, V. Pisani, R. Proissl, M. Ravinovich, I. Rolnick, S. Sakaguchi, T. Sharma, D. Stoll, S. Sun, J. Tserruya, I. Woody, C. TI Design, construction, operation and performance of a Hadron Blind Detector for the PHENIX experiment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE HBD; GEM; Csl photocathode; UV-photon detector; CF(4) ID RICH DETECTOR; CF4; SYSTEM; GAS; GEM; NM AB A Hadron Blind Detector (HBD) has been developed, constructed and successfully operated within the PHENIX detector at RHIC. The HBD is a Cherenkov detector operated with pure CF(4). It has a 50 cm long radiator directly coupled in a windowless configuration to a readout element consisting of a triple GEM stack, with a Csl photocathode evaporated on the top surface of the top GEM and pad readout at the bottom of the stack. This paper gives a comprehensive account of the construction, operation and in-beam performance of the detector. (C) 2011 Elsevier B.V. All rights reserved. C1 [Cherlin, A.; Dubey, A.; Fraenkel, Z.; Kozlov, A.; Makek, M.; Milov, A.; Naglis, M.; Ravinovich, I.; Sharma, D.; Tserruya, I.] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Azmoun, B.; Pisani, R.; Sakaguchi, T.; Stoll, S.; Woody, C.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Chi, C. Y.] Columbia Univ, New York, NY 10027 USA. [Chi, C. Y.] Nevis Labs, Irvington, NY 10533 USA. [Rolnick, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Anderson, W.; Citron, Z.; Connors, M.; Durham, J. M.; Hemmick, T.; Kamin, J.; Lewis, B.; Pantuev, V.; Proissl, M.; Sun, J.] SUNY Stony Brook, Stony Brook, NY 11794 USA. RP Tserruya, I (reprint author), Weizmann Inst Sci, IL-76100 Rehovot, Israel. EM Itzhak.Tserruya@weizmann.ac.il OI Durham, J. Matthew/0000-0002-5831-3398 FU US Department of Energy, Division of Nuclear Physics at Columbia University's Nevis Labs [DE-AC02-98CH10886]; US Department of Energy. Division of Nuclear Physics, at Stony Brook University [DE-FG02-86ER40281]; US National Science Foundation [PHY-0521536]; US Department of Energy, Division of Nuclear Physics [DEFG-0296ER40980]; Weizmann Institute of Science; Israeli Science Foundation; Minerva Foundation; Federal German Ministry for Education and Research; Leon and Nella Benoziyo Center for High Energy Physics FX We are grateful to the PHENIX Collaboration for their support and help during the various phases of the HBD upgrade project. We are grateful to Franco Garibaldi and his group from INFN, Roma for their CsI evaporation facility. We are grateful for the technical support of Mr. Richard Hutter, Mr. Richard Lefferts and Mrs. Lilia Goffer. We acknowledge the support of the work at Brookhaven National Laboratory by the US Department of Energy, Division of Nuclear Physics, under Prime Contract no. DE-AC02-98CH10886, at Columbia University's Nevis Labs by the US Department of Energy. Division of Nuclear Physics, under Prime Contract no. DE-FG02-86ER40281, at Stony Brook University by the US National Science Foundation under Contract PHY-0521536 and by the US Department of Energy, Division of Nuclear Physics under Contract DEFG-0296ER40980, and at the Weizmann Institute of Science by the Israeli Science Foundation, the Minerva Foundation with funding from the Federal German Ministry for Education and Research and the Leon and Nella Benoziyo Center for High Energy Physics. NR 28 TC 45 Z9 45 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2011 VL 646 IS 1 BP 35 EP 58 DI 10.1016/j.nima.2011.04.015 PG 24 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 792AP UT WOS:000292713200006 ER PT J AU Androic, D Armstrong, DS Arvieux, J Asaturyan, R Averett, TD Bailey, SL Batigne, G Beck, DH Beise, EJ Benesch, J Benmokhtar, F Bimbot, L Birchall, J Biselli, A Bosted, P Breuer, H Brindza, P Capuano, CL Carlini, RD Carr, R Chant, N Chao, YC Clark, R Coppens, A Covrig, SD Cowley, A Dale, D Davis, CA Ellis, C Falk, WR Fenker, H Finn, JM Forest, T Franklin, G Frascari, R Furget, C Gaskell, D Gericke, MTW Grames, J Griffioen, KA Grimm, K Guillard, G Guillon, B Guler, H Gustafsson, K Hannelius, L Hansknecht, J Hasty, RD Allen, AMH Horn, T Ito, TM Johnston, K Jones, M Kammel, P Kazimi, R King, PM Kolarkar, A Korkmaz, E Korsch, W Kox, S Kuhn, J Lachniet, J Laszewski, R Lee, L Lenoble, J Liatard, E Liu, J Lung, A MacLachlan, GA Mammei, J Marchand, D Martin, JW Mack, DJ McFarlane, KW McKee, DW McKeown, RD Merchez, F Mihovilovic, M Micherdzinska, A Mkrtchyan, H Moffit, B Morlet, M Muether, M Musson, J Nakahara, K Neveling, R Niccolai, S Nilsson, D Ong, S Page, SA Papavassiliou, V Pate, SF Phillips, SK Pillot, P Pitt, ML Poelker, M Porcelli, TA Quemener, G Quinn, BP Ramsay, WD Rauf, AW Real, JS Ries, T Roche, J Roos, P Rutledge, GA Schaub, J Secrest, J Seva, T Simicevic, N Smith, GR Spayde, DT Stepanyan, S Stutzman, M Suleiman, R Tadevosyan, V Tieulent, R van de Wiele, J van Oers, WTH Versteegen, M Voutier, E Vulcan, WF Wells, SP Warren, G Williamson, SE Woo, RJ Wood, SA Yan, C Yun, J Zeps, V AF Androic, D. Armstrong, D. S. Arvieux, J. Asaturyan, R. Averett, T. D. Bailey, S. L. Batigne, G. Beck, D. H. Beise, E. J. Benesch, J. Benmokhtar, F. Bimbot, L. Birchall, J. Biselli, A. Bosted, P. Breuer, H. Brindza, P. Capuano, C. L. Carlini, R. D. Carr, R. Chant, N. Chao, Y. -C. Clark, R. Coppens, A. Covrig, S. D. Cowley, A. Dale, D. Davis, C. A. Ellis, C. Falk, W. R. Fenker, H. Finn, J. M. Forest, T. Franklin, G. Frascari, R. Furget, C. Gaskell, D. Gericke, M. T. W. Grames, J. Griffioen, K. A. Grimm, K. Guillard, G. Guillon, B. Guler, H. Gustafsson, K. Hannelius, L. Hansknecht, J. Hasty, R. D. Allen, A. M. Hawthorne Horn, T. Ito, T. M. Johnston, K. Jones, M. Kammel, P. Kazimi, R. King, P. M. Kolarkar, A. Korkmaz, E. Korsch, W. Kox, S. Kuhn, J. Lachniet, J. Laszewski, R. Lee, L. Lenoble, J. Liatard, E. Liu, J. Lung, A. MacLachlan, G. A. Mammei, J. Marchand, D. Martin, J. W. Mack, D. J. McFarlane, K. W. McKee, D. W. McKeown, R. D. Merchez, F. Mihovilovic, M. Micherdzinska, A. Mkrtchyan, H. Moffit, B. Morlet, M. Muether, M. Musson, J. Nakahara, K. Neveling, R. Niccolai, S. Nilsson, D. Ong, S. Page, S. A. Papavassiliou, V. Pate, S. F. Phillips, S. K. Pillot, P. Pitt, M. L. Poelker, M. Porcelli, T. A. Quemener, G. Quinn, B. P. Ramsay, W. D. Rauf, A. W. Real, J. -S. Ries, T. Roche, J. Roos, P. Rutledge, G. A. Schaub, J. Secrest, J. Seva, T. Simicevic, N. Smith, G. R. Spayde, D. T. Stepanyan, S. Stutzman, M. Suleiman, R. Tadevosyan, V. Tieulent, R. van de Wiele, J. van Oers, W. T. H. Versteegen, M. Voutier, E. Vulcan, W. F. Wells, S. P. Warren, G. Williamson, S. E. Woo, R. J. Wood, S. A. Yan, C. Yun, J. Zeps, V. TI The G0 experiment: Apparatus for parity-violating electron scattering measurements at forward and backward angles SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Magnetic spectrometer; Liquid hydrogen target; Polarized electron beam; Parity-violation; Electron scattering ID PROTON-SCATTERING; NUCLEON AB In the GO experiment, performed at Jefferson Lab, the parity-violating elastic scattering of electrons from protons and quasi-elastic scattering from deuterons is measured in order to determine the neutral weak currents of the nucleon. Asymmetries as small as 1 part-per-million in the scattering of a polarized electron beam are determined using a dedicated apparatus. It consists of specialized beam monitoring and control systems, a cryogenic hydrogen (or deuterium) target, and a superconducting, toroidal magnetic spectrometer equipped with plastic scintillation and aerogel Cherenkov detectors, as well as fast readout electronics for the measurement of individual events. The overall design and performance of this experimental system is discussed. (C) 2011 Elsevier B.V. All rights reserved. C1 [Beck, D. H.; Hasty, R. D.; Kammel, P.; King, P. M.; Laszewski, R.; Muether, M.; Nakahara, K.; Neveling, R.; Nilsson, D.; Spayde, D. T.; Williamson, S. E.] Univ Illinois, Loomis Lab Phys, Urbana, IL 61801 USA. [Carr, R.; Covrig, S. D.; Gustafsson, K.; Hannelius, L.; Ito, T. M.; Liu, J.; Martin, J. W.; McKeown, R. D.] CALTECH, Kellogg Radiat Lab, Pasadena, CA 91125 USA. [Benmokhtar, F.; Biselli, A.; Clark, R.; Franklin, G.; Kuhn, J.; Lachniet, J.; Quinn, B. P.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Armstrong, D. S.; Averett, T. D.; Bailey, S. L.; Capuano, C. L.; Finn, J. M.; Griffioen, K. A.; Grimm, K.; Moffit, B.; Phillips, S. K.; Roche, J.; Secrest, J.] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [McFarlane, K. W.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [Arvieux, J.; Bimbot, L.; Frascari, R.; Guler, H.; Lenoble, J.; Marchand, D.; Morlet, M.; Niccolai, S.; Ong, S.; van de Wiele, J.] Inst Phys Nucl, F-91406 Orsay, France. [Mihovilovic, M.] Joz Widehatef Stefan Inst, Ljubljana 1000, Slovenia. [Batigne, G.; Furget, C.; Guillard, G.; Guillon, B.; Kox, S.; Liatard, E.; Merchez, F.; Pillot, P.; Quemener, G.; Real, J. -S.; Tieulent, R.; Versteegen, M.; Voutier, E.] Univ Grenoble 1, CNRS, IN2P3, LPSC,Inst Polytech Grenoble, Grenoble, France. [Forest, T.; Johnston, K.; Simicevic, N.; Wells, S. P.] Louisiana Tech Univ, Dept Phys, Ruston, LA 71272 USA. [MacLachlan, G. A.; McKee, D. W.; Papavassiliou, V.; Pate, S. F.; Schaub, J.] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. [King, P. M.; Roche, J.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. [Benesch, J.; Bosted, P.; Brindza, P.; Carlini, R. D.; Chao, Y. -C.; Fenker, H.; Gaskell, D.; Grames, J.; Hansknecht, J.; Jones, M.; Kazimi, R.; Lung, A.; Mack, D. J.; Musson, J.; Poelker, M.; Roche, J.; Smith, G. R.; Stutzman, M.; Vulcan, W. F.; Warren, G.; Wood, S. A.; Yan, C.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Davis, C. A.; Lee, L.; Ramsay, W. D.; Ries, T.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Dale, D.; Kolarkar, A.; Korsch, W.; Zeps, V.] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. [Birchall, J.; Coppens, A.; Falk, W. R.; Gericke, M. T. W.; Lee, L.; Page, S. A.; Ramsay, W. D.; Rauf, A. W.; Rutledge, G. A.; van Oers, W. T. H.; Woo, R. J.] Univ Manitoba, Dept Phys, Winnipeg, MB R3T 2N2, Canada. [Korkmaz, E.; Porcelli, T. A.] Univ No British Columbia, Dept Phys, Prince George, BC V2N 4Z9, Canada. [Allen, A. M. Hawthorne; Mammei, J.; Pitt, M. L.; Suleiman, R.; Yun, J.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA. [Martin, J. W.; Micherdzinska, A.] Univ Winnipeg, Dept Phys, Winnipeg, MB R3B 2E9, Canada. [Androic, D.; Seva, T.] Univ Zagreb, Dept Phys, HR-41001 Zagreb, Croatia. [Asaturyan, R.; Mkrtchyan, H.; Stepanyan, S.; Tadevosyan, V.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Beise, E. J.; Benmokhtar, F.; Breuer, H.; Chant, N.; Cowley, A.; Ellis, C.; Horn, T.; King, P. M.; Liu, J.; Roos, P.] Univ Maryland, Dept Phys, College Pk, MD 20472 USA. RP Beck, DH (reprint author), Univ Illinois, Loomis Lab Phys, 1110 W Green St, Urbana, IL 61801 USA. EM dhbeck@illinois.edu RI Androic, Darko/A-7482-2008; Franklin, Gregg/N-7743-2014; Quinn, Brian/N-7343-2014; Liu, Jianglai/P-2587-2015; OI Franklin, Gregg/0000-0003-4176-1378; Quinn, Brian/0000-0003-2800-986X; Liu, Jianglai/0000-0002-4563-3157; Quemener, Gilles/0000-0001-6703-6655; King, Paul/0000-0002-3448-2306 FU U.S. DOE; North American electronics; U.S. NSF; French CNRS; Canadian NSERC FX This work is supported in part by grants from several agencies. The U.S. DOE provided support for the construction of the North American detectors, the North American electronics, for the infrastructure and operation of Jefferson Lab, as well as for the activities of some collaborating groups. The U.S. NSF provided funding for the superconducting magnet and the cryogenic target, as well as for the activities of some collaborating groups. The French CNRS provided support for the French detectors and electronics, as well as for the activities of the French collaborators. The Canadian NSERC provided support for the North American detectors and electronics as well as for the activities of the Canadian groups. We thank all the funding agencies for their support to the experiment. NR 47 TC 11 Z9 11 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2011 VL 646 IS 1 BP 59 EP 86 DI 10.1016/j.nima.2011.04.031 PG 28 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 792AP UT WOS:000292713200007 ER PT J AU Choong, WS Bizarri, G Cherepy, NJ Hull, G Moses, WW Payne, SA AF Choong, W-S Bizarri, G. Cherepy, N. J. Hull, G. Moses, W. W. Payne, S. A. TI Measuring the dependence of the decay curve on the electron energy deposit in NaI(Tl) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE NaI(Tl); Scintillator electron response; Scintillator decay curve; Non-proportionality; Energy resolution ID SCINTILLATOR NON-PROPORTIONALITY; LIGHT-PULSE SHAPE; RESOLUTION; CRYSTALS; NONPROPORTIONALITY; EXCITATION; DETECTORS; PARTICLES; FACILITY; CSI(TL) AB We report on the first measurement of the decay times of NaI(Tl) as a function of the deposited electron energy. It has been suggested that the decay curve depends on the ionization density, which is correlated with the electron energy deposit in the scintillator. The ionization creates excitation states, which can decay radiatively and non-radiatively through a number of competing processes. As a result, the rate at which the excitation decays depends on the ionization density. A measurement of the decay curve as a function of the ionization density will allow us to probe the kinetic rates of the competing processes. The Scintillator Light Yield Non-proportionality Characterization Instrument (SLYNCI) measures the electron response of scintillators utilizing fast sampling ADCs to digitize the raw signals from the detectors, and so can provide a measurement of the light pulse shape from the scintillator. Using data collected with the SLYNCI instrument, the intrinsic scintillation profile is extracted on an event-by-event basis by deconvolving the raw signal with the impulse response of the system. Scintillation profiles with the same electron energy deposit are summed to obtain decay curves as a function of the deposited electron energy. The decay time constants are obtained by fitting the decay curves with a two-component exponential decay. While a slight dependence of the decay time constants on the electron energy deposit is observed, the results are not statistically significant. Published by Elsevier B.V. C1 [Choong, W-S; Bizarri, G.; Moses, W. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Cherepy, N. J.; Hull, G.; Payne, S. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Choong, WS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM wschoong@lbl.gov RI Cherepy, Nerine/F-6176-2013 OI Cherepy, Nerine/0000-0001-8561-923X FU National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Office of Nuclear Nonproliferation Research and Engineering of the US Department of Energy [DE-AC02-05CH11231, DE-AC52-07NA27344] FX This work was supported by the National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Office of Nuclear Nonproliferation Research and Engineering (NA-22) of the US Department of Energy under contracts DE-AC02-05CH11231 (Lawrence Berkeley National Laboratory) and DE-AC52-07NA27344 (Lawrence Livermore National Laboratory). NR 22 TC 5 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2011 VL 646 IS 1 BP 95 EP 99 DI 10.1016/j.nima.2011.04.053 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 792AP UT WOS:000292713200009 ER PT J AU Ham, YS Sitaraman, S AF Ham, Young S. Sitaraman, Shivakumar TI PARTIAL DEFECT TESTER: A NOVEL APPROACH TO DETECT PARTIAL DEFECTS IN PRESSURIZED WATER REACTOR SPENT FUEL SO NUCLEAR TECHNOLOGY LA English DT Article DE PWR; partial defects; safeguards AB A novel methodology to detect diversion of spent fuel from pressurized water reactors (PWRs) has been developed in order to address a long unsolved safeguards verification problem for an international safeguards organization such as the International Atomic Energy Agency (IAEA) or European Atomic Energy Community (EUR-ATOM). The concept involves inserting tiny neutron and gamma detectors into the guide tubes of a spent fuel assembly (SFA) and measuring the signals. The guide tubes form a quadrant symmetric pattern in the various PWR fuel product lines, and the neutron and gamma signals from these various locations are processed to obtain a unique signature for an undisturbed SFA. Signatures based on the neutron and gamma signals individually or in a combination can be developed. Removal of fuel pins from the SFA will cause the signatures to be visibly perturbed thus enabling the detection of diversion. All of the required signal processing to obtain signatures can be performed on standard laptop computers. Monte Carlo simulation studies and a set of controlled experiments with actual commercial PWR SFAs were performed, and they validated this novel methodology. Based on the simulation studies and benchmarking measurements, the methodology promises to be a powerful and practical way to detect partial defects that constitute 10% or more of the total active fuel pins. This far exceeds the IAEA goal that for SFAs that can be dismantled at the facility which is essentially the case Pr most PWR fuel the partial defect test used should assure that at least half the fuel pins are present in each SFA. The methodology does not rely on any operator-provided data like burnup or cooling time and does not require movement of the SFA from the storage rack in the spent-fuel pool. C1 [Ham, Young S.; Sitaraman, Shivakumar] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ham, YS (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM ham4@llnl.gov FU U.S. Department of Energy by LLNL [DE-AC52-07NA27344]; National Nuclear Security Agency Office of Research and Development [NA-22] FX This work was performed under the auspices of the U.S. Department of Energy by LLNL under contract DE-AC52-07NA27344. The authors wish to thank the National Nuclear Security Agency Office of Research and Development NA-22 for funding this effort. The authors also wish to thank KAERI for providing the facilities to perform measurements. NR 15 TC 1 Z9 1 U1 2 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 J9 NUCL TECHNOL JI Nucl. Technol. PD AUG PY 2011 VL 175 IS 2 BP 401 EP 418 PG 18 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 795RR UT WOS:000292994000004 ER PT J AU Berger, J Benedict, R AF Berger, John Benedict, Robert TI AN INTEGRATED MASS BALANCE MODEL FOR PYROCHEMICAL PROCESSING SO NUCLEAR TECHNOLOGY LA English DT Article DE used fuel separations; electrochemical processing; pyroprocessing ID SPENT NUCLEAR-FUEL; SALT SEPARATION; SOLID CATHODE; REACTOR-FUEL; MOLTEN-SALT; URANIUM; METAL AB GE Hitachi Nuclear Energy proposes the use of the pyroprocessing techniques to effectively close the nuclear fuel cycle. In order to better understand the quantities of inputs and their effect on the outputs (waste packages, product, etc.) of the process, an integrated process model was designed to track mass flows and aid in sizing and quantifying the amount of equipment needed for different desired throughputs. The flowchart that was modeled is discussed, and each process is explained in detail from the front-end fuel preparation through waste generation and product accumulation. The chemical, electrochemical, and mechanical operations of these processes are also identified and explained. Process parameters that the model allows the user to vary are also identified, and the effects of changing these parameters are also discussed. C1 [Berger, John] GE Hitachi Nucl Energy, Wilmington, NC 28402 USA. [Benedict, Robert] Idaho Natl Lab, Victor, ID 83455 USA. RP Berger, J (reprint author), GE Hitachi Nucl Energy, 3901 Castle Hayne Rd MC A50, Wilmington, NC 28402 USA. EM John.Berger@gnf.com FU U.S. Department of Energy (DOE) [DE-FC01-07NE24504] FX This material is based upon work supported by the U.S. Department of Energy (DOE) under Award No. DE-FC01-07NE24504. This work was sponsored by DOE's Global Nuclear Energy Partnership program. The authors would like to thank the insights of M. Williamson, Argonne National Laboratory (ANL), and S. Herrmann and B. Westphal, INL. We also appreciate the many years of research at ANL; INL; Central Research Institute of Electric Power Industry, Japan; and Korea Atomic Energy Research Institute. Without the many years of research and dedication to the pyroprocess, this work would not be possible. NR 28 TC 0 Z9 0 U1 2 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 J9 NUCL TECHNOL JI Nucl. Technol. PD AUG PY 2011 VL 175 IS 2 BP 450 EP 459 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 795RR UT WOS:000292994000008 ER PT J AU Moisseytsev, A Tang, Y Majumdar, S Grandy, C Natesan, K AF Moisseytsev, A. Tang, Y. Majumdar, S. Grandy, C. Natesan, K. TI IMPACT FROM THE ADOPTION OF ADVANCED MATERIALS ON A SODIUM FAST REACTOR DESIGN SO NUCLEAR TECHNOLOGY LA English DT Article DE advanced materials; sodium-cooled fast reactors AB To improve the economic characteristics of fast reactors, researchers are developing advanced structural materials for application to reactor components. These advanced materials provide higher strength at elevated temperatures. Coupled thermal-hydraulic and structural analyses have been carried out to investigate the benefits of the advanced structural materials for a specific fast reactor design: the Advanced Burner Reactor (ABR) developed at Argonne National Laboratory. The benefits of the advanced materials, in terms of increased design margins, possible longer lifetime, thinner structures, and higher operating temperatures, were calculated for the major ABR structural components, including the reactor vessel, the core support structure, the intermediate heat exchanger, the intermediate heat transport system piping, and the steam generator. For each structure, the possible reduction in the component thickness was calculated and was converted into estimates of the commodities savings provided by the use of the advanced materials. Overall, a significant material mass saving of similar to 40% was calculated for the considered fast reactor structures. C1 [Moisseytsev, A.; Tang, Y.; Majumdar, S.; Grandy, C.; Natesan, K.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Moisseytsev, A (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 8 TC 2 Z9 2 U1 0 U2 0 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 J9 NUCL TECHNOL JI Nucl. Technol. PD AUG PY 2011 VL 175 IS 2 BP 468 EP 479 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 795RR UT WOS:000292994000010 ER PT J AU Mihalczo, JT AF Mihalczo, John T. TI PROMPT NEUTRON DECAY FOR DELAYED CRITICAL BARE AND NATURAL-URANIUM-REFLECTED METAL SPHERES OF PLUTONIUM AND HIGHLY ENRICHED URANIUM SO NUCLEAR TECHNOLOGY LA English DT Article DE uranium; plutonium; prompt decay AB Prompt neutron decay at delayed criticality was measured by Oak Ridge National Laboratory for uranium-reflected highly enriched uranium (HEU) and Pu metal spheres (FLATTOP), for an unreflected Pu metal (4.5% (240)Pu) sphere (JEZEBEL) at Los Alamos National Laboratory (LANL) and for an unreflected HEU metal sphere at Oak Ridge Critical Experiments Facility. The average prompt neutron decay constants from hundreds of Rossi-alpha and randomly pulsed neutron measurements with (252)Cf at delayed criticality are as follows: 3.8458 +/- 0.0016 X 10(5) s(-1), 2.2139 +/- 0.0022 X 10(5) s(-1), 6.3126 +/- 0.0100 X 105 s(-1), and 1.1061 +/- 0.0009 X 106 s(-1), respectively. These values agree with previous measurements by LANL for FLATTOP, JEZEBEL, and GODIVA I as follows: 3.82 +/- 0.02 X 10(5) s(-1) for a uranium core; 2.14 +/- 0.05 X 10(5) s(-1) and 2.29 X 10(5) s(-1) (uncertainty not reported) for a plutonium core; 6.4 +/- 0.1 X 10(5) s(-1), and 1.1 +/- 0.1 X 10(6) s(-1), respectively, but have smaller uncertainties because of the larger number of measurements. For the FLATTOP and JEZEBEL assemblies, the measurements agree with calculations. Traditionally, the calculated decay constants for the bare uranium metal sphere GODIVA I and the Oak Ridge Uranium Metal Sphere were higher than experimental by similar to 10%. Other energy-dependent quantities for the bare uranium sphere agree within 1%. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Mihalczo, JT (reprint author), Oak Ridge Natl Lab, POB 2008,MS 6010, Oak Ridge, TN 37831 USA. EM mihalczojt@ornl.gov NR 14 TC 1 Z9 1 U1 0 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 J9 NUCL TECHNOL JI Nucl. Technol. PD AUG PY 2011 VL 175 IS 2 BP 498 EP 508 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 795RR UT WOS:000292994000012 ER PT J AU Boto, AN Xu, WL Jakoncic, J Pannuri, A Romeo, T Bessman, MJ Gabelli, SB Amzel, LM AF Boto, Agedi N. Xu, Wenlian Jakoncic, Jean Pannuri, Archana Romeo, Tony Bessman, Maurice J. Gabelli, Sandra B. Amzel, L. Mario TI Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE GDP-mannose hydrolase; Nudix; biofilm; yffH; ADP-ribose hydrolase; markless knockout ID ADP-RIBOSE PYROPHOSPHATASE; ESCHERICHIA-COLI; BIOFILM FORMATION; MOLECULAR-MECHANISM; MUTT FAMILY; PROTEINS; IDENTIFICATION; SUBSTRATE; GRAPHICS; ENZYMES AB The Nudix hydrolase superfamily, characterized by the presence of the signature sequence GX(5)EX(7)REUXEEXGU (where U is I, L, or V), is a well-studied family in which relations have been established between primary sequence and substrate specificity for many members. For example, enzymes that hydrolyze the diphosphate linkage of ADP-ribose are characterized by having a proline 15 amino acids C-terminal of the Nudix signature sequence. GDPMK is a Nudix enzyme that conserves this characteristic proline but uses GDP-mannose as the preferred substrate. By investigating the structure of the GDPMK alone, bound to magnesium, and bound to substrate, the structural basis for this divergent substrate specificity and a new rule was identified by which ADPribose pyrophosphatases can be distinguished from purine-DP-mannose pyrophosphatases from primary sequence alone. Kinetic and mutagenesis studies showed that GDPMK hydrolysis does not rely on a single glutamate as the catalytic base. Instead, catalysis is dependent on residues that coordinate the magnesium ions and residues that position the substrate properly for catalysis. GDPMK was thought to play a role in biofilm formation because of its upregulation in response to RcsC signaling; however, GDPMK knockout strains show no defect in their capacity of forming biofilms. C1 [Boto, Agedi N.; Gabelli, Sandra B.; Amzel, L. Mario] Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. [Xu, Wenlian; Bessman, Maurice J.] Johns Hopkins Univ, Dept Biol, Sch Arts & Sci, Baltimore, MD 21218 USA. [Jakoncic, Jean] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Pannuri, Archana; Romeo, Tony] Univ Florida, Dept Microbiol & Cell Sci, Gainesville, FL 32611 USA. RP Amzel, LM (reprint author), Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, 725 N Wolfe St, Baltimore, MD 21205 USA. EM gabelli@jhmi.edu; mamzel1@jhmi.edu RI Gabelli, Sandra/A-3705-2008; OI Gabelli, Sandra/0000-0003-1205-5204; Amzel, L. Mario/0000-0002-0129-9572 FU National Institute of Health [GM-0080, NS061827, GM066794]; US Department of Energy [DE AC02-98CH10886]; Gustavus and Louis Pfeiffer Research Foundation; University of Florida [FLA-MCS-004949] FX Data collection was carried out in part at X6A beam line, funded by the National Institute of Health under agreement GM-0080. The NSLS, Brookhaven National Laboratory is supported by the US Department of Energy under contract No. DE AC02-98CH10886. The support of Gustavus and Louis Pfeiffer Research Foundation (A.N.B.), NIH grant NS061827 (L.M.A.), and NIH GM066794 and FLA-MCS-004949 from the University of Florida CRIS project (T.R.) is acknowledged. NR 34 TC 5 Z9 5 U1 0 U2 3 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0887-3585 J9 PROTEINS JI Proteins PD AUG PY 2011 VL 79 IS 8 BP 2455 EP 2466 DI 10.1002/prot.23069 PG 12 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 794TW UT WOS:000292925200009 PM 21638333 ER PT J AU Filippova, EV Shuvalova, L Minasov, G Kiryukhina, O Zhang, Y Clancy, S Radhakrishnan, I Joachimiak, A Anderson, WF AF Filippova, E. V. Shuvalova, L. Minasov, G. Kiryukhina, O. Zhang, Y. Clancy, S. Radhakrishnan, I. Joachimiak, A. Anderson, W. F. TI Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE GNAT acetyltransferase; pai operon; degradative enzyme production; sporulation; acetyl coenzyme A; spermidine/spermine; P-loop ID HUMAN SPERMIDINE/SPERMINE N-1-ACETYLTRANSFERASE; MULTIPLE SEQUENCE ALIGNMENT; X-RAY-DIFFRACTION; PROTEIN DATA-BANK; BACILLUS-SUBTILIS; SPERMINE N1-ACETYLTRANSFERASE; MACROMOLECULAR STRUCTURES; POLYAMINE METABOLISM; DENSITY MODIFICATION; MOLECULAR-GRAPHICS AB GCN5-related N-acetyltransferases (GNATs) are the most widely distributed acetyltransferase systems among all three domains of life. GNATs appear to be involved in several key processes, including microbial antibiotic resistance, compacting eukaryotic DNA, controlling gene expression, and protein synthesis. Here, we report the crystal structure of a putative GNAT Ta0374 from Thermoplasma acidophilum, a hyperacidophilic bacterium, that has been determined in an apo-form, in complex with its natural ligand (acetyl coenzyme A), and in complex with a product of reaction (coenzyme A) obtained by cocrystallization with spermidine. Sequence and structural analysis reveals that Ta0374 belongs to a novel protein family, PaiA, involved in the negative control of sporulation and degradative enzyme production. The crystal structure of Ta0374 confirms that it binds acetyl coenzyme A in a way similar to other GNATs and is capable of acetylating spermidine. Based on structural and docking analysis, it is expected that Glu53 and Tyr93 are key residues for recognizing spermidine. Additionally, we find that the purification His-Tag in the apo-form structure of Ta0374 prevents binding of acetyl coenzyme A in the crystal, though not in solution, and affects a chain-flip rotation of "motif A" which is the most conserved sequence among canonical acetyltransferases. C1 [Filippova, E. V.; Shuvalova, L.; Minasov, G.; Kiryukhina, O.; Anderson, W. F.] Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Feinberg Sch Med, Chicago, IL 60611 USA. [Filippova, E. V.; Shuvalova, L.; Minasov, G.; Kiryukhina, O.; Clancy, S.; Joachimiak, A.; Anderson, W. F.] Argonne Natl Lab, Biosci Div, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Zhang, Y.; Radhakrishnan, I.] Northwestern Univ, Dept Mol Biosci, Evanston, IL 60208 USA. RP Anderson, WF (reprint author), Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Feinberg Sch Med, 303 E Chicago Ave, Chicago, IL 60611 USA. EM wf-anderson@northwestern.edu OI Minasov, George/0000-0001-5460-3462 FU U.S. Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357]; NIH [GM074942] FX The results are based on work performed at Argonne National Laboratory, at the Advanced Photon Source (APS); University of Chicago Argonne, LLC, for the U.S. Department of Energy, Office of Biological and Environmental Research under contract DE-AC02-06CH11357. The authors thank members of the Midwest Center for Structural Genomics and Life Sciences Collaborative Access Team at the APS for their help in the development of the project.; Grant sponsor: NIH PSI; Grant number: GM074942 NR 61 TC 6 Z9 7 U1 2 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-3585 EI 1097-0134 J9 PROTEINS JI Proteins PD AUG PY 2011 VL 79 IS 8 BP 2566 EP 2577 DI 10.1002/prot.23062 PG 12 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 794TW UT WOS:000292925200018 PM 21633970 ER PT J AU Filippova, EV Brunzelle, JS Cuff, ME Li, H Joachimiak, A Anderson, WF AF Filippova, E. V. Brunzelle, J. S. Cuff, M. E. Li, H. Joachimiak, A. Anderson, W. F. TI Crystal structure of the novel PaiB transcriptional regulator from Geobacillus stearothermophilus SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE transcriptional regulator; pai operon; degradative enzyme production; sporulation; spo genes; FMN binding ID PYRIDOXINE 5'-PHOSPHATE OXIDASE; ELECTRON-DENSITY MAPS; MYCOBACTERIUM-TUBERCULOSIS; MACROMOLECULAR STRUCTURES; STATIONARY-PHASE; GENE-EXPRESSION; PROTEIN; REFINEMENT; IMPROVEMENT; TRANSITION C1 [Filippova, E. V.; Brunzelle, J. S.; Anderson, W. F.] Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Feinberg Sch Med, Chicago, IL 60611 USA. [Filippova, E. V.; Cuff, M. E.; Li, H.; Joachimiak, A.; Anderson, W. F.] Argonne Natl Lab, Midwest Ctr Struct Genom, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. [Brunzelle, J. S.; Anderson, W. F.] Argonne Natl Lab, Adv Photon Source, Life Sci Collaborat Access Team, Argonne, IL 60439 USA. RP Anderson, WF (reprint author), Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Feinberg Sch Med, 303 E Chicago Ave, Chicago, IL 60611 USA. EM wf-anderson@northwestern.edu FU U.S. Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357]; NIH [GM074942] FX The X-ray data collection was performed at the Argonne National Laboratory, at the Advanced Photon Source (APS). Argonne is operated by University of Chicago Argonne, LLC, for the U.S. Department of Energy, Office of Biological and Environmental Research under contract DE-AC02-06CH11357. The authors would like to thank Shu Moy, George Minasov, Ludmila Shuvalova for help and discussions.; Grant sponsor: NIH; Grant number: PSI grant GM074942 (to the Midwest Center for Structural Genomics). NR 27 TC 1 Z9 1 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-3585 EI 1097-0134 J9 PROTEINS JI Proteins PD AUG PY 2011 VL 79 IS 8 BP 2578 EP 2582 DI 10.1002/prot.23061 PG 5 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 794TW UT WOS:000292925200019 PM 21633969 ER PT J AU Pokkuluri, PR Duke, NEC Wood, SJ Cotta, MA Li, XL Biely, P Schiffer, M AF Pokkuluri, Phani Raj Duke, Norma E. C. Wood, Stephen J. Cotta, Michael A. Li, Xin-Liang Biely, Peter Schiffer, Marianne TI Structure of the catalytic domain of glucuronoyl esterase Cip2 from Hypocrea jecorina SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE glucuronoyl esterase; catalytic domain; catalytic triad; lignocellulose; Hypocrea jecorina ID SCHIZOPHYLLUM-COMMUNE; DERIVATIVES; LINKAGE; LIGNIN; MODEL C1 [Pokkuluri, Phani Raj; Duke, Norma E. C.; Wood, Stephen J.; Schiffer, Marianne] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Cotta, Michael A.; Li, Xin-Liang] ARS, Bioenergy Res Unit, Natl Ctr Agr Utilizat Res, USDA, Peoria, IL 61604 USA. [Biely, Peter] Slovak Acad Sci, Inst Chem, Dept Enzymol Carbohydrates, Bratislava 84538, Slovakia. RP Pokkuluri, PR (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rajp@anl.gov OI Cotta, Michael/0000-0003-4565-7754 FU U.S. Department of Energy's Office of Science, Office of Biological and Environmental Research; Office of Basic Energy Sciences [DE-AC02-06CH11357]; Slovak Grant Agency [VEGA 2/0001/10] FX Grant sponsors: U.S. Department of Energy's Office of Science, Office of Biological and Environmental Research GTL program, Office of Basic Energy Sciences; Grant number: DE-AC02-06CH11357; Grant sponsor: Slovak Grant Agency; Grant number: VEGA 2/0001/10 NR 18 TC 18 Z9 19 U1 0 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-3585 J9 PROTEINS JI Proteins PD AUG PY 2011 VL 79 IS 8 BP 2588 EP 2592 DI 10.1002/prot.23088 PG 5 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 794TW UT WOS:000292925200021 PM 21661060 ER PT J AU Miller, JH Chrisler, WB Wang, XH Sowa, MB AF Miller, John H. Chrisler, William B. Wang, Xihai Sowa, Marianne B. TI Confocal microscopy for modeling electron microbeam irradiation of skin SO RADIATION AND ENVIRONMENTAL BIOPHYSICS LA English DT Article ID LOW-LET RADIATION; BYSTANDER RESPONSE; IN-VITRO; TISSUE; CELLS AB For radiation exposures employing targeted sources such as particle microbeams, the deposition of energy and dose will depend on the spatial heterogeneity of the sample. Although cell structural variations are relatively minor for two-dimensional cell cultures, they can vary significantly for fully differentiated tissues. Employing high-resolution confocal microscopy, we have determined the spatial distribution, size, and shape of epidermal keratinocyte nuclei for the full-thickness EpiDerm (TM) skin model (MatTek, Ashland, VA). Application of these data to calculate the microdosimetry and microdistribution of energy deposition by an electron microbeam is discussed. C1 [Miller, John H.] Washington State Univ Tri Cities, Sch Elect Engn & Comp Sci, Richland, WA 99354 USA. [Chrisler, William B.; Wang, Xihai; Sowa, Marianne B.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Miller, JH (reprint author), Washington State Univ Tri Cities, Sch Elect Engn & Comp Sci, 2710 Univ Dr, Richland, WA 99354 USA. EM jhmiller@tricity.wsu.edu FU US Department of Energy [DE-AC05-76RLO1830] FX This work was supported by the Biological and Environmental Research Program (BER), US Department of Energy under contract DE-AC05-76RLO1830. NR 14 TC 5 Z9 5 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0301-634X J9 RADIAT ENVIRON BIOPH JI Radiat. Environ. Biophys. PD AUG PY 2011 VL 50 IS 3 BP 365 EP 369 DI 10.1007/s00411-011-0371-z PG 5 WC Biology; Biophysics; Environmental Sciences; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Environmental Sciences & Ecology; Radiology, Nuclear Medicine & Medical Imaging GA 794VV UT WOS:000292930300005 PM 21604000 ER PT J AU Tolstykh, EI Shagina, NB Degteva, MO Anspaugh, LR Napier, BA AF Tolstykh, Evgenia I. Shagina, Natalia B. Degteva, Marina O. Anspaugh, Lynn R. Napier, Bruce A. TI Does the cortical bone resorption rate change due to Sr-90-radiation exposure? Analysis of data from Techa Riverside residents SO RADIATION AND ENVIRONMENTAL BIOPHYSICS LA English DT Article ID DOSE RECONSTRUCTION SYSTEM; MINERAL DENSITY; STRONTIUM METABOLISM; CALCIUM HOMEOSTASIS; DOSIMETRY SYSTEM; BIOKINETIC MODEL; NORMAL CHINESE; AGE; OSTEOPOROSIS; OSTEOCLASTS AB The Mayak Production Association released large amounts of Sr-90 into the Techa River (Southern Urals, Russia) with peak amounts in 1950-1951. Techa Riverside residents ingested an average of about 3,000 kBq of Sr-90. The Sr-90-body burden of approximately 15,000 individuals has been measured in the Urals Research Center for Radiation Medicine in 1974-1997 with use of a special whole-body counter (WBC). Strontium-90 had mainly deposited in the cortical part of the skeleton by 25 years following intake, and Sr-90 elimination occurs as a result of cortical bone resorption. The effect of Sr-90-radiation exposure on the rate of cortical bone resorption was studied. Data on 2,022 WBC measurements were selected for 207 adult persons, who were measured three or more times before they were 50-55 years old. The individual-resorption rates were calculated with the rate of strontium recirculation evaluated as 0.0018 year(-1). Individual absorbed doses in red bone marrow (RBM) and bone surface (BS) were also calculated. Statistically significant negative relationships of cortical bone resorption rate were discovered related to Sr-90-body burden and dose absorbed in the RBM or the BS. The response appears to have a threshold of about 1.5-Gy RBM dose. The radiation-induced decrease in bone resorption rate may not be significant in terms of health. However, a decrease in bone remodeling rate can be among several causes of an increased level of degenerative dystrophic bone pathology in exposed persons. C1 [Tolstykh, Evgenia I.; Shagina, Natalia B.; Degteva, Marina O.] Urals Res Ctr Radiat Med, Chelyabinsk 454076, Russia. [Anspaugh, Lynn R.] Univ Utah, Div Radiobiol, Dept Radiol, Salt Lake City, UT 84112 USA. [Napier, Bruce A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Tolstykh, EI (reprint author), Urals Res Ctr Radiat Med, Vorovskogo 68A, Chelyabinsk 454076, Russia. EM evgenia@urcrm.ru FU US Department of Energy's Office of International Health Studies; Russian Foundation for Basic Research [04-04-96085] FX This work has been partially funded by the US Department of Energy's Office of International Health Studies and the Russian Foundation for Basic Research Grant 04-04-96085. We thank the now deceased Dr. Olga V. Vyushkova (URCRM) for her analysis of morbidity in the studied population. NR 64 TC 6 Z9 6 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0301-634X EI 1432-2099 J9 RADIAT ENVIRON BIOPH JI Radiat. Environ. Biophys. PD AUG PY 2011 VL 50 IS 3 BP 417 EP 430 DI 10.1007/s00411-011-0363-z PG 14 WC Biology; Biophysics; Environmental Sciences; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Environmental Sciences & Ecology; Radiology, Nuclear Medicine & Medical Imaging GA 794VV UT WOS:000292930300010 PM 21523463 ER PT J AU Miller, DC Kurtz, SR AF Miller, David C. Kurtz, Sarah R. TI Durability of Fresnel lenses: A review specific to the concentrating photovoltaic application SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Review DE Fresnel lens; PMMA; Accelerated life testing; Reliability; Durability ID FATIGUE CRACK-PROPAGATION; POLY METHYL-METHACRYLATE; ELECTRON-SPIN-RESONANCE; ISOTACTIC POLY(METHYL METHACRYLATE); THERMAL VOLATILIZATION ANALYSIS; DYNAMIC-MECHANICAL-PROPERTIES; SOLAR ULTRAVIOLET-RADIATION; MAIN-CHAIN SCISSION; LIME-SILICA GLASS; MOLECULAR-WEIGHT AB The durability of Fresnel lenses used in the concentrating photovoltaic (CPV) application is reviewed from the literature. The examination here primarily concerns monolithic lenses constructed of poly(methyl methacrylate) (PMMA), with supplemental examination of silicone-on-glass (SOG) composite lenses. For PMMA, the review includes the topics of: optical durability (loss of transmittance with age); discoloration (the wavelength-specific loss of transmittance); microcrazing and hazing; fracture and mechanical fatigue; physical aging, creep, shape change, buckling, and warping; and solid erosion. Soiling, or the accumulation of particulate matter, is examined in the following contexts: its magnitude of reduction in transmittance; variation with time, module tilt, and wavelength; the processes of adhesion and accumulation; particle size, distribution, composition, and morphology; and its prevention. Photodegradation and thermal decomposition, mechanisms enabling aging, are examined relative to the CPV-specific environment. Aspects specific to SOG lenses include: solarization of the glass superstrate; corrosion of glass; delamination of the silicone/glass interface; change in focus due to thermal misfit between the laminate layers; and the chemical stability of poly(dimethylsiloxane) (PDMS). Recommendations for future research are provided, based on the most important and the least explored topics. (C) 2011 Published by Elsevier B.V. C1 [Miller, David C.; Kurtz, Sarah R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Miller, DC (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM David.Miller@nrel.gov NR 383 TC 58 Z9 61 U1 3 U2 65 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD AUG PY 2011 VL 95 IS 8 SI SI BP 2037 EP 2068 DI 10.1016/j.solmat.2011.01.031 PG 32 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 795BE UT WOS:000292945700010 ER PT J AU Liu, FD Jiang, CS Guthrey, H Johnston, S Romero, MJ Gorman, BP Al-Jassim, MM AF Liu, Fude Jiang, C. -S. Guthrey, H. Johnston, S. Romero, M. J. Gorman, B. P. Al-Jassim, M. M. TI Optical response of grain boundaries in upgraded metallurgical-grade silicon for photovoltaics SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Upgraded metallurgical-grade silicon (UMG-Si); Photovoltaics; Grain boundaries; Light emission; Impurities; Characterization ID BEAM-INDUCED CURRENT; POLYCRYSTALLINE SILICON; MULTICRYSTALLINE SILICON; SOLAR-CELLS; THIN-FILMS; MICROSCOPY; WAFERS AB Using upgraded metallurgical-grade silicon (UMG-Si) is a cost-effective and energy-efficient approach for the production of solar cells. Grain boundaries (GBs) play a major role in determining the device performance of multicrystalline Si (mc-Si) solar cells. In this study two UMG-Si wafers, one from the middle part of a brick and the other from the top part of the same brick, were investigated. An excellent correlation was found between the grain misorientation and the corresponding optical response of GBs as indicated by photoluminescence (PL) imaging, electron backscattered diffraction (EBSD), and cross-sectional transmission electron microscopy (TEM). In addition, the PL features at random GBs depend also on the impurity levels in the wafer. In particular the PL emission was greatly enhanced in the narrow regions close to the random GB in the top wafer, which is an interesting phenomenon that may have potential application in high efficiency light-emission diodes (LEDs) based on Si. (C) 2011 Elsevier B.V. All rights reserved. C1 [Liu, Fude] Univ Hong Kong, Dept Mech Engn, Hong Kong, Hong Kong, Peoples R China. [Jiang, C. -S.; Guthrey, H.; Johnston, S.; Romero, M. J.; Al-Jassim, M. M.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. [Guthrey, H.; Gorman, B. P.] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. RP Liu, FD (reprint author), Univ Hong Kong, Dept Mech Engn, Pokfulam Rd, Hong Kong, Hong Kong, Peoples R China. EM fordliu@hku.hk RI Gorman, Brian/F-4999-2011; jiang, chun-sheng/F-7839-2012 OI Gorman, Brian/0000-0002-1837-564X; FU Seed Funding Programme for Basic Research at HKU [200910159016]; HKU Initiative on Clean Energy and Environment (HKU-ICEE); US Department of Energy [DE-AC36-08-GO28308] FX F. Liu thanks the financial support from the Seed Funding Programme for Basic Research at HKU (Project Code 200910159016) and the HKU Initiative on Clean Energy and Environment (HKU-ICEE) funding. At NREL, this work is supported by the US Department of Energy under Contract no. DE-AC36-08-GO28308. NR 23 TC 4 Z9 4 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD AUG PY 2011 VL 95 IS 8 SI SI BP 2497 EP 2501 DI 10.1016/j.solmat.2011.04.039 PG 5 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 795BE UT WOS:000292945700074 ER PT J AU Kunert, J Backer, M Brunkahl, O Wesolowski, D Edney, C Clem, P Thomas, N Liersch, A AF Kunert, J. Baecker, M. Brunkahl, O. Wesolowski, D. Edney, C. Clem, P. Thomas, N. Liersch, A. TI Advanced titania buffer layer architectures prepared by chemical solution deposition SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID YBA2CU3O7-DELTA-COATED CONDUCTORS; COATED CONDUCTORS; FILMS; DIFFUSION; SRTIO3 AB Chemical solution deposition (CSD) was used to grow high-quality (100) oriented films of SrTiO(3) (STO) on CSD CaTiO(3) (CTO), Ba(0.1)Ca(0.9)TiO(3) (BCT) and STO seed and template layers. These template films bridge the lattice misfit between STO and the nickel-tungsten (NiW) substrate, assisting in dense growth of textured STO. Additional niobium (Nb) doping of the STO buffer layer reduces oxygen diffusion which is necessary to avoid undesired oxidation of the NiW. The investigated templates offer suitable alternatives to established standard buffer systems like La(2)Zr(2)O(7) (LZO) and CeO(2) for coated conductors. C1 [Kunert, J.; Baecker, M.; Brunkahl, O.] Zenergy Power GmbH, D-53359 Rheinbach, Nrw, Germany. [Wesolowski, D.; Edney, C.; Clem, P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Thomas, N.; Liersch, A.] Univ Appl Sci Koblenz, D-56203 Hohr Grenzhausen RPL, Germany. RP Kunert, J (reprint author), Zenergy Power GmbH, D-53359 Rheinbach, Nrw, Germany. FU US Department of Energy, Office of Electricity Delivery and Energy Reliability; Zenergy Power plc [CRADA SC06/01723]; Sandia Corporation, a wholly owned subsidiary of the Lockheed Martin Corporation [DE-AC04-94AL85000] FX This work was supported in part by the US Department of Energy, Office of Electricity Delivery and Energy Reliability, and by Zenergy Power plc under contract CRADA SC06/01723. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of the Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 11 TC 5 Z9 5 U1 0 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2011 VL 24 IS 8 AR 085018 DI 10.1088/0953-2048/24/8/085018 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 794QZ UT WOS:000292917500020 ER PT J AU Zhou, N Ohshita, S Price, L Zheng, NN AF Zhou, Nan Ohshita, Stephanie Price, Lynn Zheng, Nina TI A low carbon development guide for local government actions in China SO CARBON MANAGEMENT LA English DT Article AB Local level actions are crucial for achieving energy saving and GHG emission reduction targets. Yet it can be challenging to implement new policies and actions owing to a lack of information, funding and capacity at the local level - especially in developing countries such as China. Even though the Chinese government has set national energy and carbon intensity reduction targets, most local governments do not have sufficient knowledge regarding the necessary actions to achieve the targets, as well as the effectiveness and cost of policies; nor do they know how to design and implement a low carbon development plan. This article presents information for local governments on how to create an action plan to tackle climate change and increase energy efficiency. The research examines indicators that can be used to define low carbon development and to evaluate the effectiveness of the actions taken. The guidance provides a step-by-step description of how action plans can be established and essential elements that should be included - from preparing a GHG emission inventory to implementation of the plan. It also provides a menu of policies and best practices found internationally and in China to encourage low carbon development in industry, buildings, transportation, power, agriculture and forestry. C1 [Zhou, Nan; Ohshita, Stephanie; Price, Lynn; Zheng, Nina] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Zhou, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM sbohshita@lbl.gov FU China Sustainable Energy Program of the Energy Foundation through the US Department of Energy [DE-AC02-05CH11231]; US National Science Foundation [CMMI-1045411] FX This work was supported by the China Sustainable Energy Program of the Energy Foundation through the US Department of Energy under Contract No. DE-AC02-05CH11231. An earlier version of this paper was presented at a US China Workshop on Pathways Toward Low Carbon Cities held in Hong Kong (December 2010), sponsored by the US National Science Foundation grant CMMI-1045411. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed. No writing assistance was utilized in the production of this manuscript. NR 39 TC 1 Z9 2 U1 1 U2 10 PU FUTURE SCI LTD PI LONDON PA UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND SN 1758-3004 J9 CARBON MANAG JI Carbon Manag. PD AUG PY 2011 VL 2 IS 4 BP 455 EP 469 DI 10.4155/CMT.11.39 PG 15 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA V27ZF UT WOS:000208650400015 ER PT J AU Kim, TH Nicholson, DM Zhang, XG Evans, BM Kulkarni, NS Kenik, EA Meyer, HM Radhakrishnan, B Li, AP AF Kim, Tae-Hwan Nicholson, Don M. Zhang, X. -G. Evans, Boyd M. Kulkarni, Nagraj S. Kenik, Edward A. Meyer, Harry M. Radhakrishnan, Balasubramaniam Li, An-Ping TI Structural Dependence of Grain Boundary Resistivity in Copper Nanowires SO JAPANESE JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRICAL-RESISTIVITY; POLYCRYSTALLINE FILMS; EXTERNAL SURFACES; REFLECTION; CONDUCTIVITY; SCATTERING; NANOFILMS; TRANSPORT; METALS; MODEL AB We report the direct measurement of individual grain boundary (GB) resistances and the critical role of GB structure in the increased resistivity in copper nanowires. By measuring both intra-and inter-grain resistance with a four-probe scanning tunneling microscope, large resistance jumps are revealed owing to successive scattering across high-angle random GBs, while the resistance changes at twin and other coincidence boundaries are negligibly small. The impurity distributions in the nanowires are characterized in correlating to the microstructures. The resistance of high symmetry coincidence GBs and the impurity contributions are then calculated using a first-principle method which confirms that the coincidence GBs have orders of magnitude smaller resistance than the high-angle random GBs. (C) 2011 The Japan Society of Applied Physics C1 [Kim, Tae-Hwan; Zhang, X. -G.; Li, An-Ping] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Nicholson, Don M.; Zhang, X. -G.; Radhakrishnan, Balasubramaniam] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Evans, Boyd M.; Kulkarni, Nagraj S.] Oak Ridge Natl Lab, Measurement Sci & Syst Engn Div, Oak Ridge, TN 37831 USA. [Kenik, Edward A.; Meyer, Harry M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Kim, TH (reprint author), POSTECH, Dept Phys, Pohang 790784, Gyeongbuk, South Korea. EM apli@ornl.gov RI Kim, Tae-Hwan/A-5636-2010; Li, An-Ping/B-3191-2012 OI Kim, Tae-Hwan/0000-0001-5328-0913; Li, An-Ping/0000-0003-4400-7493 FU Office of Basic Energy Sciences, U.S. Department of Energy; Division of Materials Sciences and Engineering, U.S. DOE FX Research was performed at Center for Nanophase Materials Sciences (A. P. L., T. H. K., and X.G.Z.) and Shared Research Equipment User Facility (E. A. K. and H. M. M.) at Oak Ridge National Laboratory, which are sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. This work was also partially sponsored by the Division of Materials Sciences and Engineering (D.M.N.), U.S. DOE. We thank Drs. Boyan Boyanov and C. Michael Garner at Intel Corporation for providing the electroplated Cu wafers and for stimulating discussions. NR 26 TC 2 Z9 2 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0021-4922 EI 1347-4065 J9 JPN J APPL PHYS JI Jpn. J. Appl. Phys. PD AUG PY 2011 VL 50 IS 8 SI SI AR 08LB09 DI 10.1143/JJAP.50.08LB09 PN 4 PG 4 WC Physics, Applied SC Physics GA 813BS UT WOS:000294342100014 ER PT J AU Perry, WL Gunderson, JA Glover, BB Dattelbaum, DM AF Perry, W. Lee Gunderson, Jake A. Glover, Brian B. Dattelbaum, Dana M. TI Electromagnetically induced localized ignition in secondary high explosives: Experiments and numerical verification SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB In order to more fully understand the factors that influence the thermal "hot-spot" initiation of high explosives, we have chosen a model system for study that uses the internal and localized dissipation of long wavelength electromagnetic energy (microwaves). High purity organic crystals generally interact weakly with microwave energy. Therefore, the addition of electromagnetically absorbing inclusions of silicon carbide provides a tractable system for the study of hot-spot ignition phenomena. Previously, we developed a simple analytic model that illuminates the important physical factors. In this work, we verify the relationships of the analytic model using a series of experiments and a numerical model. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3606409] C1 [Perry, W. Lee; Gunderson, Jake A.; Glover, Brian B.; Dattelbaum, Dana M.] Los Alamos Natl Lab, Weap Expt Div, Los Alamos, NM 87545 USA. RP Gunderson, JA (reprint author), Los Alamos Natl Lab, Weap Expt Div, POB 1663, Los Alamos, NM 87545 USA. EM gunderson@lanl.gov OI Perry, William/0000-0003-1993-122X NR 15 TC 10 Z9 10 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD AUG 1 PY 2011 VL 110 IS 3 AR 034902 DI 10.1063/1.3606409 PG 8 WC Physics, Applied SC Physics GA 808DN UT WOS:000293956600154 ER PT J AU Allison, DP Sullivan, CJ Mortensen, NP Retterer, ST Doktycz, M AF Allison, David P. Sullivan, Claretta J. Mortensen, Ninell Pollas Retterer, Scott T. Doktycz, Mitchel TI Bacterial Immobilization for Imaging by Atomic Force Microscopy SO JOVE-JOURNAL OF VISUALIZED EXPERIMENTS LA English DT Article DE Bioengineering; Issue 54; Bacteria; AFM imaging; Liquid imaging; Gelatin; Bacterial Immobilization AB AFM is a high-resolution (nm scale) imaging tool that mechanically probes a surface. It has the ability to image cells and biomolecules, in a liquid environment, without the need to chemically treat the sample. In order to accomplish this goal, the sample must sufficiently adhere to the mounting surface to prevent removal by forces exerted by the scanning AFM cantilever tip. In many instances, successful imaging depends on immobilization of the sample to the mounting surface. Optimally, immobilization should be minimally invasive to the sample such that metabolic processes and functional attributes are not compromised. By coating freshly cleaved mica surfaces with porcine (pig) gelatin, negatively charged bacteria can be immobilized on the surface and imaged in liquid by AFM. Immobilization of bacterial cells on gelatin-coated mica is most likely due to electrostatic interaction between the negatively charged bacteria and the positively charged gelatin. Several factors can interfere with bacterial immobilization, including chemical constituents of the liquid in which the bacteria are suspended, the incubation time of the bacteria on the gelatin coated mica, surface characteristics of the bacterial strain and the medium in which the bacteria are imaged. Overall, the use of gelatin-coated mica is found to be generally applicable for imaging microbial cells. C1 [Allison, David P.; Mortensen, Ninell Pollas; Retterer, Scott T.; Doktycz, Mitchel] Oak Ridge Natl Lab, Biosci Div, Biol & Nanoscale Syst Grp, Oak Ridge, TN 37831 USA. [Allison, David P.; Mortensen, Ninell Pollas] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Sullivan, Claretta J.] Eastern Virginia Med Sch, Dept Surg, Norfolk, VA 23507 USA. [Retterer, Scott T.; Doktycz, Mitchel] Oak Ridge Natl Lab, Ctr Nanophase Mat, Div Sci, Oak Ridge, TN 37831 USA. RP Doktycz, M (reprint author), Oak Ridge Natl Lab, Biosci Div, Biol & Nanoscale Syst Grp, Oak Ridge, TN 37831 USA. EM doktyczmj@ornl.gov RI Retterer, Scott/A-5256-2011; Doktycz, Mitchel/A-7499-2011 OI Retterer, Scott/0000-0001-8534-1979; Doktycz, Mitchel/0000-0003-4856-8343 FU Office of Biological and Environmental Research, U.S. Department of Energy; Virginia's Commonwealth Health Research Board; U.S. Department of Energy [DE-AC05-00OR22725] FX This research is sponsored by the Office of Biological and Environmental Research, U.S. Department of Energy and by grant funding from Virginia's Commonwealth Health Research Board. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 7 TC 0 Z9 0 U1 5 U2 11 PU JOURNAL OF VISUALIZED EXPERIMENTS PI CAMBRIDGE PA 1 ALEWIFE CENTER, STE 200, CAMBRIDGE, MA 02140 USA SN 1940-087X J9 JOVE-J VIS EXP JI J. Vis. Exp. PD AUG PY 2011 IS 54 AR UNSP e2880 DI 10.3791/2880 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA V36MD UT WOS:000209215100023 ER PT J AU Heidbrink, WW Austin, ME Fisher, RK Garcia-Munoz, M Matsunaga, G McKee, GR Moyer, RA Muscatello, CM Okabayashi, M Pace, DC Shinohara, K Solomon, WM Strait, EJ Van Zeeland, MA Zhu, YB AF Heidbrink, W. W. Austin, M. E. Fisher, R. K. Garcia-Munoz, M. Matsunaga, G. McKee, G. R. Moyer, R. A. Muscatello, C. M. Okabayashi, M. Pace, D. C. Shinohara, K. Solomon, W. M. Strait, E. J. Van Zeeland, M. A. Zhu, Y. B. TI Characterization of off-axis fishbones SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article ID POLOIDAL DIVERTOR EXPERIMENT; CHARGE-EXCHANGE MEASUREMENTS; DIII-D TOKAMAK; BEAM IONS; PLASMA; INSTABILITY; PDX; SPECTROSCOPY; STABILITY; SYSTEM AB Repetitive bursting instabilities with strong frequency chirping occur in high-beta, beam-heated plasmas with safety factor q > 1 in the DIII-D tokamak. Although the mode structures differ, in many ways, the off-axis fishbones are similar to the q = 1 fishbones first observed on the Poloidal Divertor Experiment (PDX). The modes are driven by energetic trapped ions at the fastion precession frequency. During a burst, the frequency changes most rapidly as the mode reaches its maximum amplitude. Larger amplitude bursts have larger growth rates and frequency chirps. Unlike PDX fishbones, the decay phase is highly variable and is usually shorter than the growth phase. Also, the waveform is highly distorted by higher harmonics during the latter portion of a burst. The radial mode structure alters its shape during the burst. Like PDX fishbones, the modes expel trapped ions in a 'beacon' with a definite phase relationship relative to the mode. Seven types of loss detectors measure the beacon. The losses scale linearly with mode amplitude. The neutron rate changes most rapidly at maximum mode amplitude but, depending on the loss diagnostic, the losses often peak a few cycles later. The non-ambipolar fast-ion losses cause a sudden change in toroidal rotation frequency across the entire plasma. In addition to an overall drop, the neutron signal oscillates in response to the wave. Unlike the beacon of lost particles, which maintains a fixed phase relative to the mode, the phase of the neutron oscillations steadily increases throughout the burst, with the greatest phase slippage occurring in the highly nonlinear phase near maximum mode amplitude. C1 [Heidbrink, W. W.; Muscatello, C. M.; Zhu, Y. B.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92717 USA. [Austin, M. E.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. [Fisher, R. K.; Strait, E. J.; Van Zeeland, M. A.] Gen Atom Co, San Diego, CA USA. [Garcia-Munoz, M.] EURATOM, Max Planck Inst Plasmaphys, D-8046 Garching, Germany. [Matsunaga, G.; Shinohara, K.] Japan Atom Energy Agcy, Naka, Ibaraki, Japan. [McKee, G. R.] Univ Wisconsin, Dept Engn Phys, Madison, WI USA. [Moyer, R. A.] Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92103 USA. [Okabayashi, M.; Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Pace, D. C.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Heidbrink, WW (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92717 USA. OI Solomon, Wayne/0000-0002-0902-9876 NR 41 TC 37 Z9 38 U1 3 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2011 VL 53 IS 8 AR 085028 DI 10.1088/0741-3335/53/8/085028 PG 23 WC Physics, Fluids & Plasmas SC Physics GA 019GR UT WOS:000309726100021 ER PT J AU White, RB AF White, R. B. TI Modification of particle distributions by magnetohydrodynamic instabilities II SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article AB A new method of determining domains of phase space in which good KAM surfaces do not exist is further developed and investigated. The technique permits the rapid calculation of the modification of a particle distribution in a toroidal confinement device due to instabilities. We use the method to examine a well documented case of profile modification by Alfven modes in a tokamak. C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP White, RB (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI White, Roscoe/D-1773-2013 OI White, Roscoe/0000-0002-4239-2685 NR 17 TC 12 Z9 12 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2011 VL 53 IS 8 AR 085018 DI 10.1088/0741-3335/53/8/085018 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 019GR UT WOS:000309726100011 ER PT J AU Yakimenko, V Katsouleas, T AF Yakimenko, Vitaly Katsouleas, Tom TI Proton-based driver for the plasma wakefield accelerator with TeV reach SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article AB Many orders of magnitude increase in accelerating gradients were achieved in plasma with laser or charge particle beams, when compared with traditional RF accelerators. The energy depletion of the driving beam ultimately limits energy gain in the single acceleration stage. It was suggested that acceleration to teravolt scale energies is feasible in the single acceleration stage with a proton beam that is similar to one used at the Large Hadron Collider. Existing proton accelerators are unsuitable for driving a linear collider beam due to their average beam power that entails very low luminosity. Here, we discuss the high average power requirement and possible design solutions to overcome these limitations. C1 [Yakimenko, Vitaly] Brookhaven Natl Lab, Upton, NY 11973 USA. [Katsouleas, Tom] Duke Univ, Pratt Sch Engn, Durham, NC 27708 USA. RP Yakimenko, V (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 2 TC 1 Z9 1 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2011 VL 53 IS 8 AR 085010 DI 10.1088/0741-3335/53/8/085010 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 019GR UT WOS:000309726100004 ER PT J AU Olshen, AB Bengtsson, H Neuvial, P Spellman, PT Olshen, RA Seshan, VE AF Olshen, Adam B. Bengtsson, Henrik Neuvial, Pierre Spellman, Paul T. Olshen, Richard A. Seshan, Venkatraman E. TI Parent-specific copy number in paired tumor-normal studies using circular binary segmentation SO BIOINFORMATICS LA English DT Article ID ARRAY CGH DATA; COMPARATIVE GENOMIC HYBRIDIZATION; HIDDEN-MARKOV MODEL; SNP GENOTYPING DATA; MICROARRAYS; HETEROZYGOSITY; SAMPLES; DETECT AB Motivation: High-throughput techniques facilitate the simultaneous measurement of DNA copy number at hundreds of thousands of sites on a genome. Older techniques allow measurement only of total copy number, the sum of the copy number contributions from the two parental chromosomes. Newer single nucleotide polymorphism ( SNP) techniques can in addition enable quantifying parent-specific copy number (PSCN). The raw data from such experiments are two-dimensional, but are unphased. Consequently, inference based on them necessitates development of new analytic methods. Methods: We have adapted and enhanced the circular binary segmentation (CBS) algorithm for this purpose with focus on paired test and reference samples. The essence of paired parent-specific CBS (Paired PSCBS) is to utilize the original CBS algorithm to identify regions of equal total copy number and then to further segment these regions where there have been changes in PSCN. For the final set of regions, calls are made of equal parental copy number and loss of heterozygosity (LOH). PSCN estimates are computed both before and after calling. Results: The methodology is evaluated by simulation and on glioblastoma data. In the simulation, PSCBS compares favorably to established methods. On the glioblastoma data, PSCBS identifies interesting genomic regions, such as copy-neutral LOH. C1 [Olshen, Adam B.; Bengtsson, Henrik] Univ Calif San Francisco, Dept Epidemiol & Biostat, San Francisco, CA 94143 USA. [Olshen, Adam B.] Univ Calif San Francisco, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA. [Bengtsson, Henrik; Neuvial, Pierre] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. [Neuvial, Pierre] Univ dEvry Val dEssonne, Lab Stat & Genome, UMR CNRS 8071, USC INRA, Evry, France. [Spellman, Paul T.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Olshen, Richard A.] Stanford Univ, Sch Med, Dept Hlth Res & Policy, Stanford, CA 94305 USA. [Seshan, Venkatraman E.] Mem Sloan Kettering Canc Ctr, Dept Epidemiol & Biostat, New York, NY 10021 USA. RP Olshen, AB (reprint author), Univ Calif San Francisco, Dept Epidemiol & Biostat, San Francisco, CA 94143 USA. EM olshena@biostat.ucsf.edu FU National Institutes of Health [1U24 CA143840-01, 4R37EB002784-35, 1U24 CA126551, 1U24 CA143799, P30 CA82103, CA124504] FX National Institutes of Health (1U24 CA143840-01 to A.B.O., 4R37EB002784-35 to R.A.O., 1U24 CA126551 to H. B., P.N. and P. S., 1U24 CA143799 to P. S., P30 CA82103 to H. B., and CA124504 to V. E. S.). NR 39 TC 31 Z9 32 U1 0 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD AUG 1 PY 2011 VL 27 IS 15 BP 2038 EP 2046 DI 10.1093/bioinformatics/btr329 PG 9 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 792VO UT WOS:000292778700003 PM 21666266 ER PT J AU Gao, DH Chundawat, SPS Uppugundla, N Balan, V Dale, BE AF Gao, Dahai Chundawat, Shishir P. S. Uppugundla, Nirmal Balan, Venkatesh Dale, Bruce E. TI Binding Characteristics of Trichoderma reesei Cellulases on Untreated, Ammonia Fiber Expansion (AFEX), and Dilute-Acid Pretreated Lignocellulosic Biomass SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE cellulase; enzyme binding; lignocellulosic biomass; AFEX; dilute acid pretreatment; corn stover; Langmuir adsorption ID ENZYMATIC-HYDROLYSIS; MICROCRYSTALLINE CELLULOSE; CELLOBIOHYDROLASE-I; SULFURIC-ACID; ADSORPTION; COMPONENTS; SYNERGISM; SOLIDS; ENDOGLUCANASE; ACCESSIBILITY AB Studying the binding properties of cellulases to lignocellulosic substrates is critical to achieving a fundamental understanding of plant cell wall saccharification. Lignin auto-fluorescence and degradation products formed during pretreatment impede accurate quantification of individual glycosyl hydrolases (GH) binding to pretreated cell walls. A high-throughput fast protein liquid chromatography (HT-FPLC)-based method has been developed to quantify cellobiohydrolase I (CBH I or Cel7A), cellobiohydrolase II (CBH II or Cel6A), and endoglucanase I (EG I or Cel7B) present in hydrolyzates of untreated, ammonia fiber expansion (AFEX), and dilute-acid pretreated corn stover (CS). This method can accurately quantify individual enzymes present in complex binary and ternary protein mixtures without interference from plant cell wall-derived components. The binding isotherms for CBH I, CBH II, and EG I were obtained after incubation for 2 h at 4 degrees C. Both AFEX and dilute acid pretreatment resulted in increased cellulase binding compared with untreated CS. Cooperative binding of CBH I and/or CBH II in the presence of EG I was observed only for AFEX treated CS. Competitive binding between enzymes was found for certain other enzyme-substrate combinations over the protein loading range tested (i.e., 25-450 mg/g glucan). Langmuir single-site adsorption model was fitted to the binding isotherm data to estimate total available binding sites E(bm) (mg/g glucan) and association constant K(a) (L/mg). Our results clearly demonstrate that the characteristics of cellulase binding depend not only on the enzyme GH family but also on the type of pretreatment method employed. Biotechnol. Bioeng. 2011;108: 1788-1800. (C) 2011 Wiley Periodicals, Inc. C1 [Gao, Dahai; Chundawat, Shishir P. S.; Uppugundla, Nirmal; Balan, Venkatesh; Dale, Bruce E.] Michigan State Univ, Dept Chem Engn & Mat Sci, Biomass Convers Res Lab, Lansing, MI 48910 USA. [Gao, Dahai; Chundawat, Shishir P. S.; Uppugundla, Nirmal; Balan, Venkatesh; Dale, Bruce E.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. RP Gao, DH (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, Biomass Convers Res Lab, Univ Corp Res Pk,3900 Collins Rd, Lansing, MI 48910 USA. EM gaodahai@msu.edu OI Chundawat, Shishir/0000-0003-3677-6735 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-FC02-07ER64494]; Board of Regents of the University of Wisconsin System [DE-FC02-07ER64494]; US Department of Energy [DE-FC02-07ER64494] FX Contract grant sponsor: US Department of Energy, Office of Science, Office of Biological and Environmental Research; Contract grant number: DE-FC02-07ER64494; This work was part of the DOE Great Lakes Bioenergy Research Center (supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through Cooperative Agreement DE-FC02-07ER64494 between The Board of Regents of the University of Wisconsin System and the US Department of Energy). We would like to acknowledge Dr. Charles Wyman laboratory (UC Riverside) and Dr. Ming Lau (MSU) for providing dilute acid pretreated corn stover and Dr. Bryan Bals for valuable suggestions. Special thanks to Genencor Division of Danisco (USA), for their generous gift of enzymes. We would like to thank Michigan Biotechnology Institute (MBI) for access to their FPLC system. NR 44 TC 23 Z9 23 U1 0 U2 34 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD AUG PY 2011 VL 108 IS 8 BP 1788 EP 1800 DI 10.1002/bit.23140 PG 13 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 790PV UT WOS:000292602600006 PM 21437882 ER PT J AU Baver, DA Myra, JR Umansky, MV AF Baver, D. A. Myra, J. R. Umansky, M. V. TI Linear eigenvalue code for edge plasma in full tokamak X-point geometry SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Plasma; Eigenvalue; Benchmarking; Validation and verification; Toroidal; X-point ID RESISTIVE BALLOONING MODES; TURBULENCE; SIMULATIONS; PHYSICS; TRANSITION; TRANSPORT; DYNAMICS; DEVICE; DESIGN; WAVES AB A new code is presented for solving linear eigenvalue problems from fluid models of the edge plasma of tokamaks. The 2DX code solves linearized fluid equations in a 2D cross-section of the plasma, with toroidal mode number resolving the third dimension. Geometry capabilities include both closed and open field lines, allowing solution of X-point problems as well as a variety of other toroidal and cylindrical systems. The code generates a pair of sparse matrices forming a generalized eigenvalue problem which is then solved using a standard sparse eigensolver package. Use of a specialized equation parser permits a high degree of flexibility in both equations and coordinate systems. Both analytic and full geometry benchmark cases are presented. (C) 2011 Elsevier B.V. All rights reserved. C1 [Baver, D. A.; Myra, J. R.] Lodestar Res Corp, Boulder, CO 80301 USA. [Umansky, M. V.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Baver, DA (reprint author), Lodestar Res Corp, Boulder, CO 80301 USA. EM dabaver@lodestar.com FU U.S. Department of Energy [DE-FG02-07ER84718]; LLNL under DOE [DE-AC52-07NA27344] FX This work was supported by the U.S. Department of Energy under grant DE-FG02-07ER84718 and by LLNL under DOE contract DE-AC52-07NA27344. NR 25 TC 6 Z9 6 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD AUG PY 2011 VL 182 IS 8 BP 1610 EP 1620 DI 10.1016/j.cpc.2011.04.007 PG 11 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 788IE UT WOS:000292437800005 ER PT J AU Collette, NM Yee, C Murugesh, D Harland, R Loots, G AF Collette, Nicole M. Yee, Cristal Murugesh, Deepa Harland, Richard Loots, Gabriela TI Preaxial polydactyly caused by hyperactive WNT signaling in Sclerostin/Sostdc1 double knockouts SO DEVELOPMENTAL BIOLOGY LA English DT Meeting Abstract CT 70th Annual Meeting of the Society-for-Developmental-Biology CY JUL 21-25, 2011 CL Chicago, IL SP Soc Dev Biol C1 [Collette, Nicole M.; Murugesh, Deepa; Loots, Gabriela] Lawrence Livermore Natl Lab, Livermore, CA USA. [Harland, Richard] Univ Calif Berkeley, Berkeley, CA 94720 USA. OI Loots, Gabriela/0000-0001-9546-5561 NR 0 TC 0 Z9 0 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 0012-1606 J9 DEV BIOL JI Dev. Biol. PD AUG 1 PY 2011 VL 356 IS 1 MA 548 BP 264 EP 264 DI 10.1016/j.ydbio.2011.05.513 PG 1 WC Developmental Biology SC Developmental Biology GA 792XT UT WOS:000292784400525 ER PT J AU Smith, JN Timchalk, C Bartels, MJ Poet, TS AF Smith, Jordan Ned Timchalk, Charles Bartels, Michael J. Poet, Torka S. TI In Vitro Age-Dependent Enzymatic Metabolism of Chlorpyrifos and Chlorpyrifos-Oxon in Human Hepatic Microsomes and Chlorpyrifos-Oxon in Plasma SO DRUG METABOLISM AND DISPOSITION LA English DT Article ID HUMAN LIVER-MICROSOMES; ORGANOPHOSPHATE PESTICIDES; PARAOXONASE ARYLESTERASE; INSECTICIDE CHLORPYRIFOS; DEVELOPMENTAL EXPRESSION; CYTOCHROMES P450; PARATHION; RAT; CLEARANCE; ONTOGENY AB Age-dependent chlorpyrifos (CPF) metabolism was quantified by in vitro product formation in human hepatic microsomes (ages 13 days to 75 years) and plasma (ages 3 days to 43 years) with gas chromatography-mass spectrometry. Hepatic CPF cytochrome P450 desulfuration [CPF to chlorpyrifos-oxon (CPF-oxon)] and dearylation (CPF to 3,5,6-trichloro-2-pyridinol) V(max) values were 0.35 +/- 0.21 and 0.73 +/- 0.38 nmol . min(-1) . mg microsomal protein (-1) (mean +/- S. D.), respectively. The mean (+/- S.D.) hepatic CPF-oxon hydrolysis (chlorpyrifos-oxonase [CPFOase]) V(max) was 78 +/- 44 nmol . min(-1) . mg microsomal protein (-1). None of these hepatic measures demonstrated age-dependent relationships on a per microsomal protein basis using linear regression models. Ratios of CPF bioactivation to detoxification (CPF desulfuration to dearylation) V(max) values were consistent across ages. CPFOase in plasma demonstrated age-dependent increases on a volume of plasma basis, as did total plasma protein levels. Mean (+/- S.D.) CPF-oxon hydrolysis V(max) values for children <6 months of age and adults (>= 16 years) were 1900 +/- 660 and 6800 +/- 1600 nmol . min(-1) . ml(-1), respectively, and at environmental exposure levels, this high-capacity enzyme is likely to be sufficient even in infants. Plasma samples were phenotyped for paraoxonase status, and frequencies were 0.5, 0.4, and 0.1 for QQ, QR, and RR phenotypes, respectively. These results will be integrated into a physiologically based pharmacokinetic and pharmacodynamic model for CPF and, once integrated, will be useful for assessing biological response to CPF exposures across life stages. C1 [Smith, Jordan Ned; Timchalk, Charles; Poet, Torka S.] Battelle Mem Inst, Pacific NW Div, Richland, WA USA. [Bartels, Michael J.] Dow Chem Co USA, Midland, MI 48674 USA. RP Smith, JN (reprint author), POB 999, Richland, WA 99352 USA. EM jordan.smith@pnl.gov FU Dow AgroSciences, LLC FX This work was supported by Dow AgroSciences, LLC. NR 39 TC 15 Z9 15 U1 3 U2 12 PU AMER SOC PHARMACOLOGY EXPERIMENTAL THERAPEUTICS PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3995 USA SN 0090-9556 J9 DRUG METAB DISPOS JI Drug Metab. Dispos. PD AUG PY 2011 VL 39 IS 8 BP 1353 EP 1362 DI 10.1124/dmd.111.038745 PG 10 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA 793JJ UT WOS:000292817100007 PM 21521795 ER PT J AU Sherman, MH Walker, IS AF Sherman, Max H. Walker, Iain S. TI Meeting residential ventilation standards through dynamic control of ventilation systems SO ENERGY AND BUILDINGS LA English DT Article DE Mechanical ventilation; Ventilation effectiveness; Residential ventilation AB Existing ventilation standards, including American Society of Heating, Refrigerating, and Air-conditioning Engineers (ASHRAE) Standard 62.2, specify continuous operation of a defined mechanical ventilation system to provide minimum ventilation, with time-based intermittent operation as an option. This requirement ignores several factors and concerns including: other equipment such as household exhaust fans that might incidentally provide ventilation, negative impacts of ventilation when outdoor pollutant levels are high, the importance of minimizing energy use particularly during times of peak electricity demand, and how the energy used to condition air as part of ventilation system operation changes with outdoor conditions. Dynamic control of ventilation systems can provide ventilation equivalent to or better than what is required by standards while minimizing energy costs and can also add value by shifting load during peak times and reducing intake of outdoor air contaminants. This article describes the logic that enables dynamic control of whole-house ventilation systems to meet the intent of ventilation standards and demonstrates the dynamic ventilation system control concept through simulations and field tests of the Residential Integrated Ventilation-Energy Controller (RIVEC). (C) 2011 Elsevier B.V. All rights reserved. C1 [Sherman, Max H.; Walker, Iain S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Sherman, MH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mhsherman@lbl.gov FU Office of the Building Technologies Program, U.S. Department of Energy [DE-AC02-05CH11231]; EPB Consulting group of the California Energy Commission and through PIER [55044A/06-27, 500-08-061] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of the Building Technologies Program, U.S. Department of Energy under Contract No. DE-AC02-05CH11231.; The RIVEC technology described was produced by the authors through the EPB Consulting group under an Energy Innovation Small Grant (#: 55044A/06-27) of the California Energy Commission and through PIER contract 500-08-061. NR 10 TC 11 Z9 11 U1 1 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PD AUG PY 2011 VL 43 IS 8 BP 1904 EP 1912 DI 10.1016/j.enbuild.2011.03.037 PG 9 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 792YO UT WOS:000292786500012 ER PT J AU Al-Hashmi, S Gok, R Al-Toubi, K Al-Shijbi, Y El-Hussain, I Rodgers, AJ AF Al-Hashmi, S. Goek, R. Al-Toubi, K. Al-Shijbi, Y. El-Hussain, I. Rodgers, A. J. TI Seismic velocity structure at the southeastern margin of the Arabian Peninsula SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Coda waves; Continental margins: convergent; Continental margins: divergent; Crustal structure ID SURFACE-WAVE DISPERSION; RECEIVER FUNCTIONS; OMAN MOUNTAINS; LITHOSPHERIC STRUCTURE; JOINT INVERSION; COLLISION ZONE; DEFORMATION; OPHIOLITE; EVOLUTION; CONSTRAINTS AB The lithospheric structure in Oman has been determined by analyzing teleseismic P-receiver functions recorded at broad-band and short-period seismic stations of the Oman Seismological Network. Lithospheric structure is obtained by jointly inverting receiver functions and Rayleigh wave group velocities derived from continental-scale surface wave tomography of Pasyanos. We observe relatively thick crust (40-48 km) within the ophiolite formed mountains in northern Oman. The crustal thickness is about 35 km within the passive continental margin of the southern Oman region. Uppermost (<5 km) crustal shear wave velocities are faster in the northern ophiolite regions compared to the southern Oman region, while shear velocities in the middle crust are faster in the Southern Oman region compared to the ophiolite region. This observation coincides well with cretaceous to Eocene marine platform sequences overlying Precambrian to Cambrian basement of the southern part. Joint inversion analysis shows that the Moho depth of Oman varies from 34 km in the southern region to 48 km in the northern part. C1 [Al-Hashmi, S.; Al-Toubi, K.; Al-Shijbi, Y.; El-Hussain, I.] Sultan Qaboos Univ, Earthquake Monitoring Ctr, Muscat, Oman. [Goek, R.; Rodgers, A. J.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Al-Hashmi, S (reprint author), Sultan Qaboos Univ, Earthquake Monitoring Ctr, Muscat, Oman. EM salam95@squ.edu.om RI Rodgers, Arthur/E-2443-2011; Gok, Rengin/O-6639-2014 FU Sultan Qaboos University; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors would like to thank Sultan Qaboos University for supporting this project. This project was supported by the Lawrence Livermore National Laboratory under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This is LLNL contribution LLNL-JRNL-484106. NR 34 TC 5 Z9 5 U1 0 U2 1 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 AUG PY 2011 VL 186 IS 2 BP 782 EP 792 DI 10.1111/j.1365-246X.2011.05067.x PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 792KG UT WOS:000292742700031 ER PT J AU Justus, AL AF Justus, Alan L. TI How Long to Air Sample? Practical Considerations for Short-Term Air Sampling SO HEALTH PHYSICS LA English DT Article DE operational topics; air sampling; monitoring; air; radioactivity; airborne AB Transportable (e.g., "giraffe") air samplers can be used for both short-term "grab-sampling" situations involving a few minutes to several hours, as well as for long-term retrospective air sampling situations that typically last a week. It is the short-term coverage situation which begs the question: "how long a sampling time is adequate?" The basis for the answer (which depends mainly on the selected volumetric sampling rate and the counter sensitivity, as well as the concentration level to be measured) can be simply viewed as follows: that an adequate activity must be measureable on the air filter sample at the cessation of sampling. Equations for selection of sampling times are presented, as are example calculations for alpha counters in order to measure various target concentrations and exposures. The concepts presented here can be readily adapted to other counting systems as well as to different sampling flow rates. Health Phys. 101 (Supplement 2): S104-S109; 2011 C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Justus, AL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ajustus@lanl.gov FU Los Alamos National Laboratory under U.S. Department of Energy [DE-AC52-06NA25396] FX This work is a simple modification of similar work previously performed at Argonne National Laboratory (ANL) in 1996, which had been based upon concepts originally proposed by McLouis J. Robinet, now the retired Health Physics section head at ANL. This work has been authored by an employee of Los Alamos National Security, LLC, operator of the Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this work for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce this work, or allow others to do so for United States Government purposes. NR 2 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2011 VL 101 IS 2 SU S BP S104 EP S109 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 790WL UT WOS:000292621400002 PM 21709490 ER PT J AU Lapidus, A Clum, A LaButti, K Kaluzhnaya, MG Lim, S Beck, DAC del Rio, TG Nolan, M Mavromatis, K Huntemann, M Lucas, S Lidstrom, ME Ivanova, N Chistoserdova, L AF Lapidus, Alla Clum, Alicia LaButti, Kurt Kaluzhnaya, Marina G. Lim, Sujung Beck, David A. C. del Rio, Tijana Glavina Nolan, Matt Mavromatis, Konstantinos Huntemann, Marcel Lucas, Susan Lidstrom, Mary E. Ivanova, Natalia Chistoserdova, Ludmila TI Genomes of Three Methylotrophs from a Single Niche Reveal the Genetic and Metabolic Divergence of the Methylophilaceae SO JOURNAL OF BACTERIOLOGY LA English DT Article ID METHYLOBACTERIUM-EXTORQUENS AM1; RIBULOSE MONOPHOSPHATE CYCLE; FRESH-WATER LAKE; METHYLOBACILLUS-FLAGELLATUS; METHANOL DEHYDROGENASE; MICROBIAL COMMUNITY; IDENTIFICATION; OXIDATION; BACTERIA; SEDIMENT AB The genomes of three representatives of the family Methylophilaceae, Methylotenera mobilis JLW8, Methylotenera versatilis 301, and Methylovorus glucosetrophus SIP3-4, all isolated from a single study site, Lake Washington in Seattle, WA, were completely sequenced. These were compared to each other and to the previously published genomes of Methylobacillus flagellatus KT and an unclassified Methylophilales strain, HTCC2181. Comparative analysis revealed that the core genome of Methylophilaceae may be as small as approximately 600 genes, while the pangenome may be as large as approximately 6,000 genes. Significant divergence between the genomes in terms of both gene content and gene and protein conservation was uncovered, including the varied presence of certain genes involved in methylotrophy. Overall, our data demonstrate that metabolic potentials can vary significantly between different species of Methylophilaceae, including organisms inhabiting the very same environment. These data suggest that genetic divergence among the members of this family may be responsible for their specialized and nonredundant functions in C-1 cycling, which in turn suggests means for their successful coexistence in their specific ecological niches. C1 [Beck, David A. C.; Lidstrom, Mary E.; Chistoserdova, Ludmila] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. [Lapidus, Alla; Clum, Alicia; LaButti, Kurt; del Rio, Tijana Glavina; Nolan, Matt; Mavromatis, Konstantinos; Huntemann, Marcel; Lucas, Susan; Ivanova, Natalia] DOE Joint Genome Inst, Walnut Creek, CA USA. [Kaluzhnaya, Marina G.; Lim, Sujung; Lidstrom, Mary E.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. [Beck, David A. C.] Univ Washington, eSci Inst, Seattle, WA 98195 USA. RP Chistoserdova, L (reprint author), Univ Washington, Dept Chem Engn, Box 355014, Seattle, WA 98195 USA. EM milachis@u.washington.edu RI Lapidus, Alla/I-4348-2013 OI Lapidus, Alla/0000-0003-0427-8731 FU National Science foundation [MCB-0604269, MCB-0950183]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was funded by grants from the National Science foundation (MCB-0604269 and MCB-0950183). The work conducted by the U.S. Department of Energy Joint Genome Institute was supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 39 TC 19 Z9 19 U1 2 U2 18 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2011 VL 193 IS 15 BP 3757 EP 3764 DI 10.1128/JB.00404-11 PG 8 WC Microbiology SC Microbiology GA 791WF UT WOS:000292698100008 PM 21622745 ER PT J AU Liu, SQ Leathers, TD Copeland, A Chertkov, O Goodwin, L Mills, DA AF Liu, Siqing Leathers, Timothy D. Copeland, Alex Chertkov, Olga Goodwin, Lynne Mills, David A. TI Complete Genome Sequence of Lactobacillus buchneri NRRL B-30929, a Novel Strain from a Commercial Ethanol Plant SO JOURNAL OF BACTERIOLOGY LA English DT Article ID AEROBIC STABILITY; SILAGE; FERMENTATION; 1,2-PROPANEDIOL; CONVERSION; ADDITIVES; BREVIS; BARLEY AB Lactobacillus buchneri strain NRRL B-30929 was a contaminant obtained from a commercial ethanol fermentation. This facultative anaerobe is unique because of its rapid growth on xylose and simultaneous fermentation of xylose and glucose. The strain utilizes a broad range of carbohydrate substrates and possesses a high tolerance to ethanol and other stresses, making it an attractive candidate for bioconversion of biomass substrates to various bioproducts. The genome sequence of NRRL B-30929 will provide insight into the unique properties of this lactic acid bacterium. C1 [Liu, Siqing; Leathers, Timothy D.] USDA, Renewable Prod Technol Res Unit, Natl Ctr Agr Utilizat Res, Peoria, IL USA. [Copeland, Alex] DOE Joint Genome Inst, Walnut Creek, CA USA. [Chertkov, Olga; Goodwin, Lynne] DOE Joint Genome Inst, Los Alamos, NM USA. [Mills, David A.] Univ Calif Davis, Dept Viticulture & Enol, Robert Mondavi Inst Wine & Food Sci, Davis, CA 95616 USA. RP Liu, SQ (reprint author), USDA, Renewable Prod Technol Res Unit, Natl Ctr Agr Utilizat Res, Peoria, IL USA. EM Siqing.liu@ars.usda.gov; damills@ucdavis.edu OI Mills, David/0000-0003-1913-9865 FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 15 TC 15 Z9 17 U1 1 U2 4 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2011 VL 193 IS 15 BP 4019 EP 4020 DI 10.1128/JB.05180-11 PG 2 WC Microbiology SC Microbiology GA 791WF UT WOS:000292698100040 PM 21622751 ER PT J AU Zhao, BS Mesbah, NM Dalin, E Goodwin, L Nolan, M Pitluck, S Chertkov, O Brettin, TS Han, J Larimer, FW Land, ML Hauser, L Kyrpides, N Wiegel, J AF Zhao, Baisuo Mesbah, Noha M. Dalin, Eileen Goodwin, Lynne Nolan, Matt Pitluck, Sam Chertkov, Olga Brettin, Thomas S. Han, James Larimer, Frank W. Land, Miriam L. Hauser, Loren Kyrpides, Nikolaos Wiegel, Juergen TI Complete Genome Sequence of the Anaerobic, Halophilic Alkalithermophile Natranaerobius thermophilus JW/NM-WN-LF SO JOURNAL OF BACTERIOLOGY LA English DT Article AB The genome of the anaerobic halophilic alkalithermophile Natranaerobius thermophilus consists of one 3,165,557-bp chromosome and two plasmids (17,207 bp and 8,689 bp). The present study is the first to report the completely sequenced genome of an anaerobic polyextremophile and genes associated with roles in regulation of intracellular osmotic pressure, pH homeostasis, and growth at elevated temperatures. C1 [Zhao, Baisuo; Mesbah, Noha M.; Wiegel, Juergen] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. [Goodwin, Lynne; Chertkov, Olga] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Dalin, Eileen; Nolan, Matt; Pitluck, Sam; Han, James; Larimer, Frank W.; Kyrpides, Nikolaos] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Brettin, Thomas S.; Land, Miriam L.; Hauser, Loren] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wiegel, J (reprint author), Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. EM juergenwiegel@gmail.com RI Hauser, Loren/H-3881-2012; Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014; OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462; Mesbah, Noha/0000-0002-8863-968X; Wiegel, Juergen/0000-0002-6343-6464 FU National Science Foundation [MCB-060224]; Air Force Office of Scientific Research [AFOSR 033835-01]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by grants MCB-060224 from the National Science Foundation and AFOSR 033835-01 from the Air Force Office of Scientific Research to J.W. and DE-AC02-05CH11231 from the Office of Science of the U.S. Department of Energy to the DOE Joint Genome Institute. NR 7 TC 10 Z9 10 U1 1 U2 5 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2011 VL 193 IS 15 BP 4023 EP 4024 DI 10.1128/JB.05157-11 PG 2 WC Microbiology SC Microbiology GA 791WF UT WOS:000292698100042 PM 21642468 ER PT J AU Brown, SD Wall, JD Kucken, AM Gilmour, CC Podar, M Brandt, CC Teshima, H Detter, JC Han, CS Land, ML Lucas, S Han, J Pennacchio, L Nolan, M Pitluck, S Woyke, T Goodwin, L Palumbo, AV Elias, DA AF Brown, Steven D. Wall, Judy D. Kucken, Amy M. Gilmour, Cynthia C. Podar, Mircea Brandt, Craig C. Teshima, Hazuki Detter, John C. Han, Cliff S. Land, Miriam L. Lucas, Susan Han, James Pennacchio, Len Nolan, Matt Pitluck, Sam Woyke, Tanja Goodwin, Lynne Palumbo, Anthony V. Elias, Dwayne A. TI Genome Sequence of the Mercury-Methylating and Pleomorphic Desulfovibrio africanus Strain Walvis Bay SO JOURNAL OF BACTERIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIUM; DESULFURICANS LS AB Desulfovibrio africanus strain Walvis Bay is an anaerobic sulfate-reducing bacterium capable of producing methylmercury (MeHg), a potent human neurotoxin. The mechanism of methylation by this and other organisms is unknown. We present the 4.2-Mb genome sequence to provide further insight into microbial mercury methylation and sulfate-reducing bacteria. C1 [Brown, Steven D.; Podar, Mircea; Brandt, Craig C.; Land, Miriam L.; Palumbo, Anthony V.; Elias, Dwayne A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Wall, Judy D.; Kucken, Amy M.] Univ Missouri, Div Biochem, Columbia, MO 65211 USA. [Gilmour, Cynthia C.] Smithsonian Environm Res Ctr, Edgewater, MD 21037 USA. [Teshima, Hazuki; Detter, John C.; Han, Cliff S.; Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Teshima, Hazuki; Detter, John C.; Han, Cliff S.; Land, Miriam L.; Lucas, Susan; Han, James; Pennacchio, Len; Nolan, Matt; Pitluck, Sam; Woyke, Tanja; Goodwin, Lynne] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. RP Brown, SD (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM brownsd@ornl.gov RI Gilmour, Cynthia/G-1784-2010; Palumbo, Anthony/A-4764-2011; Elias, Dwayne/B-5190-2011; Land, Miriam/A-6200-2011; Brown, Steven/A-6792-2011; OI Gilmour, Cynthia/0000-0002-1720-9498; Palumbo, Anthony/0000-0002-1102-3975; Elias, Dwayne/0000-0002-4469-6391; Land, Miriam/0000-0001-7102-0031; Brown, Steven/0000-0002-9281-3898; Podar, Mircea/0000-0003-2776-0205 FU Office of Biological and Environmental Research (OBER); Office of Science, U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; U.S. Department of Energy [DE-AC05-00OR22725]; [DE-FG02-073464396] FX This research was supported by the Office of Biological and Environmental Research (OBER), Office of Science, U.S. Department of Energy (DOE), as part of the Mercury Science Focus Area Program at Oak Ridge National Laboratory and by grant DE-FG02-073464396 (to J.D.W.). Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. The work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 22 TC 5 Z9 6 U1 0 U2 8 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2011 VL 193 IS 15 BP 4037 EP 4038 DI 10.1128/JB.05223-11 PG 2 WC Microbiology SC Microbiology GA 791WF UT WOS:000292698100049 PM 21642452 ER PT J AU Cowen, CJ Danielson, PE Jablonski, PD AF Cowen, Christopher J. Danielson, Paul E. Jablonski, Paul D. TI The Microstructural Evolution of Inconel Alloy 740 During Solution Treatment, Aging, and Exposure at 760 A degrees C SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE Inconel; microscopy; microstructure; superalloy ID SUPERALLOY; STABILITY AB In this study, the microstructural evolution of Inconel alloy 740 during solution treatment and aging was characterized using optical and scanning electron microscopy. During double solution heat treatment, carbon is liberated from the dissolution of MC carbides during the first solution treatment at 1150 A degrees C, and fine MC carbides are precipitated on gamma grain boundaries during the second solution treatment at 1120 A degrees C. Due to the concurrent decrease in carbon solubility and the increase in the contribution of grain boundary diffusion at lower temperatures, the MC carbides on the gamma grain boundaries provide a localized carbon reservoir that aids in M(23)C(6) carbide precipitation on gamma grain boundaries during exposure at 760 A degrees C. The gamma' phase, which is the key strengthening phase in alloy 740, is incorporated into the alloy microstructure during aging at 850 A degrees C. The main source of microstructural instability observed during exposure at 760 A degrees C was the coarsening of the gamma' phase. C1 [Cowen, Christopher J.; Danielson, Paul E.; Jablonski, Paul D.] US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. RP Cowen, CJ (reprint author), US DOE, Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. EM christopher.cowen@netl.doe.gov NR 8 TC 22 Z9 34 U1 3 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD AUG PY 2011 VL 20 IS 6 BP 1078 EP 1083 DI 10.1007/s11665-010-9731-0 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 792MN UT WOS:000292749800029 ER PT J AU Fu, GY AF Fu, G. Y. TI On nonlinear self-interaction of geodesic acoustic mode driven by energetic particles SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID N=0 CHIRPING MODE; ZONAL FLOWS; EXPLANATION; EXCITATION; PLASMAS AB It is shown that nonlinear self-interaction of energetic particle-driven geodesic acoustic mode does not generate a second harmonic in radial electric field using the fluid model. However, kinetic effects of energetic particles can induce a second harmonic in the radial electric field. A formula for the second-order plasma density perturbation is derived. It is shown that a second harmonic of plasma density perturbation is generated by the convective nonlinearity of both thermal plasma and energetic particles. Near the midplane of a tokamak, the second-order plasma density perturbation (the sum of second harmonic and zero frequency sideband) is negative on the low field side with its size comparable to the main harmonic at low fluctuation level. These analytic predictions are consistent with the recent experimental observation in DIII-D. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Fu, GY (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM fu@pppl.gov FU US Department of Energy [DE-AC02-76CH03073] FX This work is supported by the US Department of Energy under DE-AC02-76CH03073. The author is indebted to Dr R. Nazikian for stimulating discussions and for sharing unpublished experimental data from DIII-D which motivated this work. The author would also like to thank Prof L. Chen, Mr Z. Qiu, and Prof Z. Lin for sharing their unpublished results and for useful discussions. NR 27 TC 7 Z9 7 U1 3 U2 7 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 J9 J PLASMA PHYS JI J. Plasma Phys. PD AUG PY 2011 VL 77 BP 457 EP 467 DI 10.1017/S0022377810000619 PN 4 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 791ZD UT WOS:000292707900003 ER PT J AU Kirkwood, RK Ping, Y Wilks, SC Meezan, N Michel, P Williams, E Clark, D Suter, L Landen, O Fisch, NJ Valeo, EJ Malkin, V Turnbull, D Suckewer, S Wurtele, J Wang, TL Martins, SF Joshi, C Yin, L Albright, BJ Rose, HA Bowers, KJ AF Kirkwood, R. K. Ping, Y. Wilks, S. C. Meezan, N. Michel, P. Williams, E. Clark, D. Suter, L. Landen, O. Fisch, N. J. Valeo, E. J. Malkin, V. Turnbull, D. Suckewer, S. Wurtele, J. Wang, T. L. Martins, S. F. Joshi, C. Yin, L. Albright, B. J. Rose, H. A. Bowers, K. J. TI Observation of amplification of light by Langmuir waves and its saturation on the electron kinetic timescale SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID DRIVEN PARAMETRIC-INSTABILITIES; STIMULATED RAMAN-SCATTERING; NATIONAL IGNITION FACILITY; PARTICLE; TARGETS; PLASMAS AB Experiments demonstrate the similar to 77x amplification of 0.5 to 3.5-ps pulses of seed light by interaction with Langmuir waves in a low density (1.2 x 10(19) cm(-3)) plasma produced by a 1-ns, 230-J, 1054-nm pump beam with 1.2 x 10(14)W/cm(2) intensity. The waves are strongly damped (k lambda(D) = 0.38, T-e = 244 eV) and grow over a similar to 1 mm length, similar to what is experienced by scattered light when it interacts with crossing beams as it exits an ignition target. The amplification reduces when the seed intensity increases above similar to 1 x 10(11)W/cm(2), indicating that saturation of the plasma waves on the electron kinetic time scale (<0.5 ps) limits the scatter to similar to 1% of the available pump energy. The observations are in agreement with 2D PIC simulations in this case. C1 [Kirkwood, R. K.; Ping, Y.; Wilks, S. C.; Meezan, N.; Michel, P.; Williams, E.; Clark, D.; Suter, L.; Landen, O.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fisch, N. J.; Valeo, E. J.; Malkin, V.; Turnbull, D.; Suckewer, S.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Wurtele, J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Wang, T. L.; Martins, S. F.; Joshi, C.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Yin, L.; Albright, B. J.; Rose, H. A.; Bowers, K. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kirkwood, RK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Michel, Pierre/J-9947-2012; wurtele, Jonathan/J-6278-2016; OI wurtele, Jonathan/0000-0001-8401-0297; Albright, Brian/0000-0002-7789-6525; Yin, Lin/0000-0002-8978-5320 NR 23 TC 11 Z9 11 U1 0 U2 7 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 EI 1469-7807 J9 J PLASMA PHYS JI J. Plasma Phys. PD AUG PY 2011 VL 77 BP 521 EP 528 DI 10.1017/S0022377810000681 PN 4 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 791ZD UT WOS:000292707900007 ER PT J AU Silver, GL AF Silver, G. L. TI Plutonium hydrolysis: the one-oxidation-state method and triple-point analysis SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Plutonium; Disproportionation; Hydrolysis AB The one-oxidation-state method is used to estimate the equilibrium constant of the first hydrolysis reaction of tetravalent plutonium. The analysis of the properties of plutonium near a triple point is an alternative approach to the estimation of the hydrolysis constant. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Silver, GL (reprint author), Los Alamos Natl Lab, MS E502,POB 1663, Los Alamos, NM 87545 USA. EM gsilver@lanl.gov FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX Los Alamos National Laboratory is operated by the Los Alamos National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy contract DE-AC52-06NA25396. NR 16 TC 3 Z9 3 U1 1 U2 8 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD AUG PY 2011 VL 289 IS 2 BP 331 EP 335 DI 10.1007/s10967-011-1080-4 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 790DZ UT WOS:000292570000005 ER PT J AU Jensen, MP Gorman-Lewis, D Aryal, B Paunesku, T Vogt, S Rickert, PG Seifert, S Lai, B Woloschak, GE Soderholm, L AF Jensen, Mark P. Gorman-Lewis, Drew Aryal, Baikuntha Paunesku, Tatjana Vogt, Stefan Rickert, Paul G. Seifert, Soenke Lai, Barry Woloschak, Gayle E. Soderholm, L. TI An iron-dependent and transferrin-mediated cellular uptake pathway for plutonium SO NATURE CHEMICAL BIOLOGY LA English DT Article ID HUMAN SERUM TRANSFERRIN; ADVANCED PHOTON SOURCE; CRYSTAL-STRUCTURE; CONFORMATIONAL-CHANGES; SEQUESTERING AGENTS; BINDING-SITES; RAT-LIVER; SCATTERING; ACTINIDES; RECEPTOR AB Plutonium is a toxic synthetic element with no natural biological function, but it is strongly retained by humans when ingested. Using small-angle X-ray scattering, receptor binding assays and synchrotron X-ray fluorescence microscopy, we find that rat adrenal gland (PC12) cells can acquire plutonium in vitro through the major iron acquisition pathway-receptor-mediated endocytosis of the iron transport protein serum transferrin; however, only one form of the plutonium-transferrin complex is active. Low-resolution solution models of plutonium-loaded transferrins derived from small-angle scattering show that only transferrin with plutonium bound in the protein's C-terminal lobe (C-lobe) and iron bound in the N-terminal lobe (N-lobe) (Pu(C)Fe(N)Tf) adopts the proper conformation for recognition by the transferrin receptor protein. Although the metal-binding site in each lobe contains the same donors in the same configuration and both lobes are similar, the differences between transferrin's two lobes act to restrict, but not eliminate, cellular Pu uptake. C1 [Jensen, Mark P.; Gorman-Lewis, Drew; Aryal, Baikuntha; Rickert, Paul G.; Soderholm, L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Aryal, Baikuntha] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Dept Radiat Oncol, Chicago, IL 60611 USA. [Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Dept Radiol, Chicago, IL 60611 USA. [Vogt, Stefan; Seifert, Soenke; Lai, Barry] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Jensen, MP (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mjensen@anl.gov RI Jensen, Mark/G-9131-2012; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Paunesku, Tatjana/A-3488-2017; Woloschak, Gayle/A-3799-2017 OI Jensen, Mark/0000-0003-4494-6693; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Paunesku, Tatjana/0000-0001-8698-2938; Woloschak, Gayle/0000-0001-9209-8954 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357]; US National Institutes of Health [EB002100, U54CA119341] FX The work at Argonne National Laboratory, including the use of the Advanced Photon Source, was supported by the US Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357, whereas work at Northwestern University was supported by US National Institutes of Health grants EB002100 and U54CA119341. NR 49 TC 25 Z9 25 U1 3 U2 34 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1552-4450 J9 NAT CHEM BIOL JI Nat. Chem. Biol. PD AUG PY 2011 VL 7 IS 8 BP 560 EP 565 DI 10.1038/NCHEMBIO.594 PG 6 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 793LW UT WOS:000292825400018 PM 21706034 ER PT J AU Tomasi, D Volkow, ND AF Tomasi, Dardo Volkow, Nora D. TI Functional connectivity hubs in the human brain SO NEUROIMAGE LA English DT Article ID RESTING-STATE FMRI; ALZHEIMERS-DISEASE; SMALL-WORLD; CORTICAL NETWORKS; PATTERNS; SLEEP; ORGANIZATION; DYNAMICS; CORTEX; FIELD AB Brain networks appear to have few and well localized regions with high functional connectivity density (hubs) for fast integration of neural processing, and their dysfunction could contribute to neuropsychiatric diseases. However the variability in the distribution of these brain hubs is unknown due in part to the overwhelming computational demands associated to their localization. Recently we developed a fast algorithm to map the local functional connectivity density (IFCD). Here we extend our method to map the global density (gFDC) taking advantage of parallel computing. We mapped the gFCD in the brain of 1031 subjects from the 1000 Functional Connectomes project and show that the strongest hubs are located in regions of the default mode network (DMN) and in sensory cortices, whereas subcortical regions exhibited the weakest hubs. The strongest hubs were consistently located in ventral precuneus/cingulate gyrus (previously identified by other analytical methods including IFCD) and in primary visual cortex (BA 17/18), which highlights their centrality to resting connectivity networks. In contrast and after rescaling, hubs in prefrontal regions had lower gFCD than IFCD, which suggests that their local functional connectivity (as opposed to long-range connectivity) prevails in the resting state. The power scaling of the probability distribution of gFCD hubs (as for IFCD) was consistent across research centers further corroborating the "scale-free" topology of brain networks. Within and between-subject variability for gFCD were twice than that for IFCD (20% vs. 12% and 84% vs. 34%, respectively) suggesting that gFCD is more sensitive to individual differences in functional connectivity. Published by Elsevier Inc. C1 [Tomasi, Dardo; Volkow, Nora D.] NIAAA, Bethesda, MD 20892 USA. [Volkow, Nora D.] Natl Inst Drug Abuse, 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 Institutes of Alcohol Abuse and Alcoholism [2RO1AA09481] FX This work was accomplished with support from the National Institutes of Alcohol Abuse and Alcoholism (2RO1AA09481). NR 54 TC 116 Z9 118 U1 4 U2 23 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1053-8119 J9 NEUROIMAGE JI Neuroimage PD AUG 1 PY 2011 VL 57 IS 3 SI SI BP 908 EP 917 DI 10.1016/j.neuroimage.2011.05.024 PG 10 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 792CK UT WOS:000292717900025 PM 21609769 ER PT J AU Warren, JM Brooks, JR Dragila, MI Meinzer, FC AF Warren, Jeffrey M. Brooks, J. Renee Dragila, Maria I. Meinzer, Frederick C. TI In situ separation of root hydraulic redistribution of soil water from liquid and vapor transport SO OECOLOGIA LA English DT Article DE Diffusivity; Hydraulic lift; Ponderosa pine; Hydraulic conductivity; Vapor flow ID MULTISENSOR CAPACITANCE PROBES; NORTHWEST CONIFEROUS FORESTS; DAILY TEMPERATURE WAVE; PONDEROSA PINE; FIELD SOILS; DOUGLAS-FIR; OLD-GROWTH; LIFT; EVAPORATION; MOISTURE AB Nocturnal increases in water potential (psi) and water content (theta) in the upper soil profile are often attributed to root water efflux, a process termed hydraulic redistribution (HR). However, unsaturated liquid or vapor flux of water between soil layers independent of roots also contributes to the daily recovery in theta (Delta theta), confounding efforts to determine the actual magnitude of HR. We estimated liquid (J (l)) and vapor (J (v)) soil water fluxes and their impacts on quantifying HR in a seasonally dry ponderosa pine (Pinus ponderosa) forest by applying existing datasets of psi, theta and temperature (T) to soil water transport equations. As soil drying progressed, unsaturated hydraulic conductivity declined rapidly such that J (l) was irrelevant (< 2E-05 mm h(-1) at 0-60 cm depths) to total water flux by early August. Vapor flux was estimated to be the highest in upper soil (0-15 cm), driven by large T fluctuations, and confounded the role of HR, if any, in nocturnal theta dynamics. Within the 15-35 cm layer, J (v) contributed up to 40% of hourly increases in nocturnal soil moisture. While both HR and net soil water flux between adjacent layers contribute to theta in the 15-65 cm soil layer, HR was the dominant process and accounted for at least 80% of the daily recovery in theta. The absolute magnitude of HR is not easily quantified, yet total diurnal fluctuations in upper soil water content can be quantified and modeled, and remain highly applicable for establishing the magnitude and temporal dynamics of total ecosystem water flux. C1 [Warren, Jeffrey M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Warren, Jeffrey M.; Meinzer, Frederick C.] US Forest Serv, USDA, PNW Res Stn, Corvallis, OR 97331 USA. [Brooks, J. Renee] US EPA, Western Ecol Div, NHEERL, Corvallis, OR 97333 USA. [Dragila, Maria I.] Oregon State Univ, Dept Crop & Soil Sci, Corvallis, OR 97331 USA. RP Warren, JM (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM warrenjm@ornl.gov RI Warren, Jeffrey/B-9375-2012; Meinzer, Frederick/C-3496-2012; OI Warren, Jeffrey/0000-0002-0680-4697; Brooks, Renee/0000-0002-5008-9774 FU U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy, Office of Science, Biological and Environmental Research; USDA Forest Service; US Environmental Protection Agency FX This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.; We gratefully thank James Irvine and Bev Law for providing site data, including temperature profiles, and Rob Coulombe, J.C. Domec and David Woodruff for fieldwork. We appreciate comments from Gerald Flerchinger on an earlier version of this manuscript. This research was supported by the U.S. Department of Energy, Office of Science, Biological and Environmental Research Program, by the USDA Forest Service Ecosystem Processes Program and by the US Environmental Protection Agency. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. This manuscript has been subjected to the Environmental Protection Agency's peer and administrative review, and it has been approved for publication as an EPA document. Mention of trade names or commercial products does not constitute endorsement or recommendation for use. NR 47 TC 18 Z9 20 U1 2 U2 33 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0029-8549 J9 OECOLOGIA JI Oecologia PD AUG PY 2011 VL 166 IS 4 BP 899 EP 911 DI 10.1007/s00442-011-1953-9 PG 13 WC Ecology SC Environmental Sciences & Ecology GA 793KG UT WOS:000292819800005 PM 21400193 ER PT J AU Choi, IC Yoo, BG Kim, YJ Seok, MY Wang, YM Jang, JI AF Choi, In-Chul Yoo, Byung-Gil Kim, Yong-Jae Seok, Moo-Young Wang, Yinmin Jang, Jae-il TI Estimating the stress exponent of nanocrystalline nickel: Sharp vs. spherical indentation SO SCRIPTA MATERIALIA LA English DT Article DE Nanoindentation; Creep; Nanocrystalline materials; Nickel ID STRAIN-RATE SENSITIVITY; CREEP-BEHAVIOR; ROOM-TEMPERATURE; NI; DEFORMATION; COPPER; VOLUME; FILMS; METAL; SIZE AB To overcome the newly found difficulties in estimating the creep exponent through the popular constant-load, sharp-indentation creep method, we propose here a modified way that involves using a spherical tip. Both sharp and spherical indentation creep experiments were performed on nanocrystalline nickel (similar to 30 nm), which is known to show creep-like behavior at room temperature. The results suggest that nanocrystalline nickel exhibits a strong strain-rate-dependent deformation mechanism, and that spherical indentation creep may produce more reliable data than sharp indentation creep. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Choi, In-Chul; Yoo, Byung-Gil; Kim, Yong-Jae; Seok, Moo-Young; Jang, Jae-il] Hanyang Univ, Div Mat Sci & Engn, Seoul 133791, South Korea. [Wang, Yinmin] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Jang, JI (reprint author), Hanyang Univ, Div Mat Sci & Engn, Seoul 133791, South Korea. EM jijang@hanyang.ac.kr RI Jang, Jae-il/A-3486-2011; Kim, Young-Jae/F-1491-2011; Choi, In-Chul/E-1499-2014; Seok, Moo-Young/M-5846-2016; Wang, Yinmin (Morris)/F-2249-2010 OI Jang, Jae-il/0000-0003-4526-5355; Wang, Yinmin (Morris)/0000-0002-7161-2034 FU Ministry of Education, Science and Technology [2010-0025526]; Korea government Ministry of Knowledge Economy [20101020300460]; US Department of Energy [DE-AC52-07NA27344] FX This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (No. 2010-0025526), and in part by the Human Resources Development of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Knowledge Economy (No. 20101020300460). The work at Lawrence Livermore National Laboratory was performed under the auspices of the US Department of Energy under Contract DE-AC52-07NA27344. NR 22 TC 24 Z9 24 U1 2 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2011 VL 65 IS 4 BP 300 EP 303 DI 10.1016/j.scriptamat.2011.04.031 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 788LE UT WOS:000292445600007 ER PT J AU Provis, JL Rose, V Winarski, RP van Deventer, JSJ AF Provis, John L. Rose, Volker Winarski, Robert P. van Deventer, Jannie S. J. TI Hard X-ray nanotomography of amorphous aluminosilicate cements SO SCRIPTA MATERIALIA LA English DT Article DE Three-dimensional tomography; Cement and concrete; Nanostructure; Amorphous oxides; Geopolymer ID FLY-ASH; NM RESOLUTION; MICROSCOPY; CALCIUM; GEL; MICROANALYSIS; DISTRIBUTIONS; TECHNOLOGY; TOMOGRAPHY; TRANSPORT AB Nanotomographic reconstruction of a sample of low-CO(2) "geopolymer" cement provides the first three-dimensional view of the pore structure of the aluminosilicate geopolymer gel, as well as evidence for direct binding of geopolymer gel onto unreacted fly ash precursor particles. This is central to understanding and optimizing the durability of concretes made using this new class of binder, and demonstrates the value of nanotomography in providing a three-dimensional view of nanoporous inorganic materials. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Provis, John L.; van Deventer, Jannie S. J.] Univ Melbourne, Dept Chem & Biomol Engn, Melbourne, Vic 3010, Australia. [Rose, Volker] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Winarski, Robert P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [van Deventer, Jannie S. J.] Zeobond Grp, Somerton, Vic 3062, Australia. RP Provis, JL (reprint author), Univ Melbourne, Dept Chem & Biomol Engn, Melbourne, Vic 3010, Australia. EM jprovis@unimelb.edu.au RI Provis, John/A-7631-2008; Rose, Volker/B-1103-2008 OI Provis, John/0000-0003-3372-8922; Rose, Volker/0000-0002-9027-1052 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Australian Research Council (ARC); Particulate Fluids Processing Centre, ARC; Australian Synchrotron International Access Program FX Use of the Advanced Photon Source and Center for Nanoscale Materials was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This work was funded by the Australian Research Council (ARC), including partial funding from the Particulate Fluids Processing Centre, a Special Research Centre of the ARC, and by the Australian Synchrotron International Access Program. We thank Dr Jorg Maser, Dr Martin Holt and Ms Claire White for assistance with HXN experiments. Supporting Information in the form of a video representation of the reconstructed nanotomography data set is available online. NR 37 TC 29 Z9 29 U1 4 U2 21 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2011 VL 65 IS 4 BP 316 EP 319 DI 10.1016/j.scriptamat.2011.04.036 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 788LE UT WOS:000292445600011 ER PT J AU Xing, Q Lograsso, TA AF Xing, Q. Lograsso, T. A. TI Effect of cooling rate on magnetoelasticity and short-range order in Fe-Ga alloys SO SCRIPTA MATERIALIA LA English DT Article DE Magnetostriction; Short-range ordering; Iron; Gallium; X-ray diffraction ID MAGNETOSTRICTION AB For Fe-Ga single crystals, faster cooling rates achieved by metallic quench and ice-water quench extended the tetragonal magnetostriction constant, (3/2) lambda(100), to higher Ga contents than reported previously. The maximum magnetostriction measured was 420 ppm at a composition of 21.4 at.% Ga. Using these faster cooling rates, the formation of short-range order (SRO) was obviously suppressed in A2 single phase, while this change in SRO did not significantly affect (3/2) (lambda 100). (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Xing, Q.; Lograsso, T. A.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. RP Xing, Q (reprint author), Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. EM qfxingtem@gmail.com FU US Department of Energy (DOE), Office of Basic Sciences, Division of Materials Sciences; US DOE by Iowa State University [DE-AC02-07CH11358] FX This work was supported by the US Department of Energy (DOE), Office of Basic Sciences, Division of Materials Sciences. The research was performed at Ames Laboratory, which is operated for the US DOE by Iowa State University under Contract No. DE-AC02-07CH11358. NR 15 TC 9 Z9 13 U1 0 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2011 VL 65 IS 4 BP 359 EP 362 DI 10.1016/j.scriptamat.2011.05.010 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 788LE UT WOS:000292445600022 ER PT J AU Puzyn, T Gajewicz, A Rybacka, A Haranczyk, M AF Puzyn, Tomasz Gajewicz, Agnieszka Rybacka, Aleksandra Haranczyk, Maciej TI Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy SO STRUCTURAL CHEMISTRY LA English DT Article DE Global models; Local models; QSPR; Persistent organic pollutants ID QUANTITATIVE STRUCTURE-ACTIVITY; DIBENZO-P-DIOXINS; AQUEOUS SOLUBILITY; APPLICABILITY DOMAIN; PLS-REGRESSION; VAPOR-PRESSURE; QSAR MODELS; CONGENERS; VALIDATION; CONSTANTS AB Experimentally determined data on the key physicochemical parameters for halogenated congeners of persistent organic pollutants (POPs) are available only for a limited number of compounds. In the absence of experimental data, a range of computational methods can be applied to characterize those species for which experimental data is not available. One of the techniques widely used in this context is quantitative structure-property relationships (QSPR) approach. There are two ways to develop the QSPR models: using a more complex global model or fitting a simple local model that covers a specific class of chemically related compounds. The essence of the study was to investigate, if local models have significantly better explanatory and predictive ability than global models with wider applicability domains. Based on the obtained results, we concluded that whenever global models fulfill all quality recommendations by OECD, they would be applied in practice as more efficient ones in state of more time consuming procedure of modeling the particular groups of POPs one-by-one. On the contrary, local models are applicable to solve specific problems (i.e., related to only one group of POPs), when high-quality experimental data are available for a sufficient number of training and validation compounds. C1 [Puzyn, Tomasz; Gajewicz, Agnieszka; Rybacka, Aleksandra] Univ Gdansk, Lab Environm Chemometr, Fac Chem, PL-80952 Gdansk, Poland. [Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Puzyn, T (reprint author), Univ Gdansk, Lab Environm Chemometr, Fac Chem, Sobieskiego 18, PL-80952 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 Foundation for Polish Science; Norwegian Financial Mechanism; EEA Financial Mechanism in Poland; Polish Ministry of Science and Higher Education [DS/8430-4-0171-11]; U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank the editors for rapidly considering our submission and the anonymous reviewer for valuable comments, which helped to improve scientific quality of this contribution. T. P. thanks the Foundation for Polish Science for granting him with a fellowship and a research grant in frame of the HOMING Program supported by Norwegian Financial Mechanism and EEA Financial Mechanism in Poland. This work was supported by the Polish Ministry of Science and Higher Education, Grant No. DS/8430-4-0171-11. This research was supported in part (to M. H.) by the U.S. Department of Energy under contract DE-AC02-05CH11231. NR 44 TC 15 Z9 15 U1 1 U2 19 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1040-0400 J9 STRUCT CHEM JI Struct. Chem. PD AUG PY 2011 VL 22 IS 4 BP 873 EP 884 DI 10.1007/s11224-011-9764-5 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Crystallography SC Chemistry; Crystallography GA 789YY UT WOS:000292556800016 ER PT J AU Valdes-Parada, FJ Porter, ML Wood, BD AF Valdes-Parada, Francisco J. Porter, Mark L. Wood, Brian D. TI The Role of Tortuosity in Upscaling (vol 88, pg 1, 2011) SO TRANSPORT IN POROUS MEDIA LA English DT Correction C1 [Wood, Brian D.] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. [Valdes-Parada, Francisco J.] Univ Autonoma Metropolitana Iztapalapa, Area Ingn Recursos Energet, Mexico City 09340, DF, Mexico. [Porter, Mark L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Wood, BD (reprint author), Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. EM porterma@lanl.gov; brian.wood@oregonstate.edu RI Wood, Brian/K-4025-2012; Wood, Brian/J-8362-2013; Valdes-Parada, Francisco /H-8373-2014 OI Wood, Brian/0000-0003-3152-7852; Wood, Brian/0000-0003-3152-7852; Valdes-Parada, Francisco /0000-0003-4208-1075 NR 7 TC 0 Z9 0 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0169-3913 J9 TRANSPORT POROUS MED JI Transp. Porous Media PD AUG PY 2011 VL 89 IS 1 BP 135 EP 137 DI 10.1007/s11242-011-9787-9 PG 3 WC Engineering, Chemical SC Engineering GA 789ZT UT WOS:000292559000009 ER PT J AU Blatherwick, EQ Van Berkel, GJ Pickup, K Johansson, MK Beaudoin, ME Cole, RO Day, JM Iverson, S Wilson, ID Scrivens, JH Weston, DJ AF Blatherwick, Eleanor Q. Van Berkel, Gary J. Pickup, Kathryn Johansson, Maria K. Beaudoin, Marie-Eve Cole, Roderic O. Day, Jennifer M. Iverson, Suzanne Wilson, Ian D. Scrivens, James H. Weston, Daniel J. TI Utility of spatially-resolved atmospheric pressure surface sampling and ionization techniques as alternatives to mass spectrometric imaging (MSI) in drug metabolism SO XENOBIOTICA LA English DT Article DE Mass spectrometry imaging (MSI); drug metabolism; drug disposition; liquid microjunction surface sampling probe (LMJ-SSP); liquid extraction surface analysis (LESA); ambient surface sampling; matrix-assisted laser desorption ionization (MALDI); quantitative whole body autoradiography (QWBA) ID DESORPTION ELECTROSPRAY-IONIZATION; ASSISTED-LASER-DESORPTION/IONIZATION; THIN-LAYER-CHROMATOGRAPHY; BODY TISSUE-SECTIONS; RAT-BRAIN TISSUE; AMBIENT CONDITIONS; PHARMACEUTICAL COMPOUNDS; SMALL MOLECULES; ION-TRAP; MALDI AB Tissue distribution studies of drug molecules play an essential role in the pharmaceutical industry and are commonly undertaken using quantitative whole body autoradiography (QWBA) methods. The growing need for complementary methods to address some scientific gaps around radiography methods has led to increased use of mass spectrometric imaging (MSI) technology over the last 5 to 10 years. More recently, the development of novel mass spectrometric techniques for ambient surface sampling has redefined what can be regarded as ""fit-for-purpose"" for MSI in a drug metabolism and disposition arena. Together with a review of these novel alternatives, this paper details the use of two liquid microjunction (LMJ)-based mass spectrometric surface sampling technologies. These approaches are used to provide qualitative determination of parent drug in rat liver tissue slices using liquid extraction surface analysis (LESA) and to assess the performance of a LMJ surface sampling probe (LMJ-SSP) interface for quantitative assessment of parent drug in brain, liver and muscle tissue slices. An assessment of the utility of these spatially-resolved sampling methods is given, showing interdependence between mass spectrometric and QWBA methods, in particular there emerges a reason to question typical MSI workflows for drug metabolism; suggesting the expedient use of profile or region analysis may be more appropriate, rather than generating time-intensive molecular images of the entire tissue section. C1 [Day, Jennifer M.; Weston, Daniel J.] AstraZeneca R&D Charnwood, Clin Pharmacol & DMPK, Loughborough LE11 5RH, Leics, England. [Blatherwick, Eleanor Q.; Scrivens, James H.] Univ Warwick, Sch Life Sci, Coventry CV4 7AL, W Midlands, England. [Van Berkel, Gary J.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN USA. [Pickup, Kathryn; Wilson, Ian D.] AstraZeneca R&D Alderley Pk, Clin Pharmacol & DMPK, Alderely Edge, Cheshire, England. [Johansson, Maria K.; Iverson, Suzanne] AstraZeneca R&D Sodertalje, Clin Pharmacol & DMPK, Global Distribut Imaging, Sodertalje, Sweden. [Beaudoin, Marie-Eve; Cole, Roderic O.] AstraZeneca, DMPK, Waltham, MA USA. RP Weston, DJ (reprint author), AstraZeneca R&D Charnwood, Clin Pharmacol & DMPK, Loughborough LE11 5RH, Leics, England. EM daniel.weston@astrazeneca.com RI Weston, Daniel/B-9000-2012; OI scrivens, james/0000-0001-7444-6871 FU Oak Ridge National Laboratory (ORNL); AstraZeneca Pharmaceuticals, Waltham, MA, USA; United States Department of Energy [DE-AC05-00OR22725]; Medical Research Council (MRC), UK; AstraZeneca R&D Charnwood, Loughborough, UK FX G. J. Van Berkel acknowledges support for this work at Oak Ridge National Laboratory (ORNL) from a Work for Others (WFO) agreement with AstraZeneca Pharmaceuticals, Waltham, MA, USA. ORNL is managed by UT-Battelle for the United States Department of Energy under contract number DE-AC05-00OR22725. E. Q. Blatherwick and J. H. Scrivens acknowledge research funding from the Medical Research Council (MRC), UK, under an industrial CASE studentship award, part-funded by AstraZeneca R&D Charnwood, Loughborough, UK. NR 73 TC 28 Z9 28 U1 0 U2 23 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0049-8254 EI 1366-5928 J9 XENOBIOTICA JI Xenobiotica PD AUG PY 2011 VL 41 IS 8 BP 720 EP 734 DI 10.3109/00498254.2011.587550 PG 15 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 790BW UT WOS:000292564500010 PM 21671748 ER PT J AU Young, RD Fenimore, PW AF Young, R. D. Fenimore, P. W. TI Coupling of protein and environment fluctuations SO BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS LA English DT Article DE Protein dynamics; Protein hydration; Temperature-dependence; Calorimetry; Neutron scattering ID INELASTIC NEUTRON-SCATTERING; ENERGY LANDSCAPES; DYNAMICS; MYOGLOBIN; RELAXATION; HYDRATION; CRYSTALLOGRAPHY; SPECTROSCOPY; DIFFRACTION; MOLECULES AB We review the concepts of protein dynamics developed over the last 35 years and extend applications of the unified model of protein dynamics to heat flow and spatial fluctuations in hydrated myoglobin (Mb) powders. Differential scanning calorimetry (DSC) and incoherent neutron scattering (INS) data on hydration Mb powders are explained by the temperature-dependence of the hydration-shell beta(h) process measured by dielectric relaxation spectroscopy (DRS). The unified model explains the temperature dependence of DSC and INS data as a kinetic effect due to a fixed experimental time window and a broad distribution of hydration-shell beta(h) fluctuation rates. We review the slaving of large scale protein motions to the bulk solvent a process, and the metastability of Mb molecules in glass forming bulk solvent at low temperatures. This article is part of a Special Issue entitled: "Protein Dynamics: Experimental and Computational Approaches". (C) 2011 Elsevier B.V. All rights reserved. C1 [Fenimore, P. W.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp T6, Los Alamos, NM 87545 USA. [Young, R. D.] Arizona State Univ, Ctr Biol Phys, Tempe, AZ 85287 USA. RP Fenimore, PW (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp T6, MS K710, Los Alamos, NM 87545 USA. EM paulf@lanl.gov NR 40 TC 17 Z9 17 U1 0 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1570-9639 EI 0006-3002 J9 BBA-PROTEINS PROTEOM JI BBA-Proteins Proteomics PD AUG PY 2011 VL 1814 IS 8 SI SI BP 916 EP 921 DI 10.1016/j.bbapap.2011.05.005 PG 6 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 787AY UT WOS:000292350200002 PM 21621015 ER PT J AU Yang, G Bolotnikov, AE Camarda, GS Cui, Y Hossain, A Kim, KH Gul, R James, RB AF Yang, G. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Hossain, A. Kim, K. H. Gul, R. James, R. B. TI Internal Electric Field Behavior of Cadmium Zinc Telluride Radiation Detectors Under High Carrier Injection SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT US Workshop on the Physics and Chemistry of II-VI Materials (II-VI workshop) CY OCT 26-28, 2010 CL New Orleans, LA DE CZT; Pockels effect; electric field; hole trapping; polarization ID CHARGE COLLECTION AB The behavior of the internal electric field of nuclear-radiation detectors substantially affects detector performance. We investigated the distribution of the internal field in cadmium zinc telluride (CZT) detectors under high carrier injection. We noted the build-up of a space-charge region near the cathode that produces a built-in field opposing the applied field. Its presence entails the collapse of the electric field in the rest of the detector, other than the portion near the cathode. Such a space-charge region originates from serious hole trapping in CZT. The device's operating temperature greatly affects the width of the space-charge region. With increasing temperature from 5A degrees C to 35A degrees C, its width expanded from about one-sixth to one-half of the total depth of the detector. C1 [Yang, G.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Kim, K. H.; Gul, R.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Yang, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM gyang@bnl.gov RI Yang, Ge/G-1354-2011 FU US Department of Energy, Office of Nonproliferation Research and Development [NA-22]; US Department of Energy [DE-AC02-98CH1-886] FX This work was supported by US Department of Energy, Office of Nonproliferation Research and Development, NA-22. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH1-886 with the US Department of Energy. NR 9 TC 0 Z9 0 U1 0 U2 12 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 AUG PY 2011 VL 40 IS 8 BP 1689 EP 1692 DI 10.1007/s11664-011-1656-3 PG 4 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 788SZ UT WOS:000292466000015 ER PT J AU Washington, AL Teague, LC Duff, MC Burger, A Groza, M Buliga, V AF Washington, Aaron L., II Teague, Lucile C. Duff, Martine C. Burger, Arnold Groza, Michael Buliga, Vladimir TI The Effect of Various Detector Geometries on the Performance of CZT Using One Crystal SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT US Workshop on the Physics and Chemistry of II-VI Materials (II-VI workshop) CY OCT 26-28, 2010 CL New Orleans, LA DE CZT; detector geometry; gamma radiation source; detector performance ID COPLANAR-GRID DETECTORS; CDZNTE DETECTORS; TEMPERATURE; DEPTH; NOISE; THM AB CdZnTe (CZT) continues to be a major thrust interest, mainly due to its potential application as a room-temperature radiation detector. The performance of CZT detectors is directly related to the charge collection ability, which can be affected by the configuration of the electrical contact. The charge collection efficiency is determined in part by the specific geometry of the anode contact which serves as the readout electrode. In this work, contact geometries including single pixel, planar, coplanar, and dual anode were systematically explored by comparing the performance efficiencies of the detector using both low- and high-energy gamma rays. To help eliminate the effect of crystal quality variations, the contact geometries were fabricated on the same crystal detector with minimal polishing between contact placements. C1 [Washington, Aaron L., II; Teague, Lucile C.; Duff, Martine C.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Burger, Arnold; Groza, Michael; Buliga, Vladimir] Fisk Univ, Nashville, TN 37208 USA. RP Washington, AL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM aaron.washington@srnl.doe.gov FU US Department of Energy (US DOE) [DE-AC09-08SR22470]; S DOE-National Nuclear Security Administration, through the Office of Nonproliferation and Verification Research and Development-NA-22 [DE-FG52-05NA27035]; National Science Foundation through the Fisk University Center for Physics and Chemistry of Materials (CPCoM); CREST program [HRD-0420516] FX This document was prepared in conjunction with work accomplished under Contract No. DE-AC09-08SR22470 with the US Department of Energy (US DOE). This work was supported by US DOE-National Nuclear Security Administration, through the Office of Nonproliferation and Verification Research and Development-NA-22 (Grant No. DE-FG52-05NA27035) and the National Science Foundation through the Fisk University Center for Physics and Chemistry of Materials (CPCoM), and Cooperative Agreement CA: HRD-0420516 (CREST program). We thank Redlen Technologies for supplying the crystal for our studies. NR 28 TC 1 Z9 3 U1 0 U2 13 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 AUG PY 2011 VL 40 IS 8 BP 1744 EP 1748 DI 10.1007/s11664-011-1675-0 PG 5 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 788SZ UT WOS:000292466000023 ER PT J AU Allen, MS Gindlin, HM Mayes, RL AF Allen, Matthew S. Gindlin, Harrison M. Mayes, Randall L. TI Experimental modal substructuring to estimate fixed-base modes from tests on a flexible fixture SO JOURNAL OF SOUND AND VIBRATION LA English DT Article AB Fixed boundary conditions are often difficult if not impossible to simulate experimentally, but they are important to consider in many applications. In principle, modal substructuring or impedance coupling approaches can be used to predict the fixed base modes of a system from tests where the system has some other boundary condition if the motion at the connection point can be measured, but this approach can be highly sensitive to imperfections in the experimental measurements. This work presents two alternatives that reduce the sensitivity to experimental errors, capitalizing on recent works where additional degrees of freedom are used to improve the robustness of substructure uncoupling. The system of interest is tested while mounted on a stiff fixture, where some modes of the fixture inevitably interact with those of the system of interest. The modes of the system-fixture assembly are extracted using a modal test and then a modal substructuring approach is used to apply constraints to eliminate the motion of the fixture. Two types of constraints are proposed, one based on the modes of the fixture and the other on a singular value decomposition of the fixture motion that was observed during the test. Neither approach requires an estimate of the displacements or rotations at the points where the system of interest is connected to the fixture. The methods are validated by applying them to experimental measurements from a simple test system meant to mimic a flexible satellite on a stiff shaker table. A finite element model of the subcomponents was also created and the method is applied to its modes in order to separate the effects of measurement errors and modal truncation. The proposed method produces excellent predictions of the first several modes of the fixed-base structure, so long as modal truncation is minimized. The proposed approach is also applied to experimental measurements from a wind turbine blade mounted in a stiff frame and found to produce reasonable results. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Allen, Matthew S.; Gindlin, Harrison M.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Mayes, Randall L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Allen, MS (reprint author), Univ Wisconsin, Dept Engn Phys, 535 Engn Res Bldg,1500 Engn Dr, Madison, WI 53706 USA. EM msallen@engr.wisc.edu RI Allen, Matthew/H-4068-2011 FU Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported in part by Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. The authors also wish to thank Scott Miller for his efforts in helping to design and perform initial tests on the plate + beam system. NR 28 TC 7 Z9 7 U1 0 U2 6 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-460X J9 J SOUND VIB JI J. Sound Vibr. PD AUG-SEP PY 2011 VL 330 IS 18-19 BP 4413 EP 4428 DI 10.1016/j.jsv.2011.04.010 PG 16 WC Acoustics; Engineering, Mechanical; Mechanics SC Acoustics; Engineering; Mechanics GA 787HG UT WOS:000292366600004 ER PT J AU Wang, L Bei, H Li, TL Gao, YF George, EP Nieh, TG AF Wang, L. Bei, H. Li, T. L. Gao, Y. F. George, E. P. Nieh, T. G. TI Determining the activation energies and slip systems for dislocation nucleation in body-centered cubic Mo and face-centered cubic Ni single crystals SO SCRIPTA MATERIALIA LA English DT Article DE Nanoindentation; Dislocation nucleation; Pop-in; Crystal structure; Activation energy ID ANISOTROPIC HALF-SPACES; DEFORMATION-BEHAVIOR; NANOINDENTATION; INDENTATION; MOLYBDENUM; PLASTICITY; DEPENDENCE; CONTACT; NI3AL; SURFACES AB Nanoindentation tests were performed on single crystals of Mo and Ni. The critical shear stress for the first pop-in was similar to 1/7 of the shear modulus in both crystals. The dependence of pop-in probability on load was understood in terms of a thermally activated dislocation nucleation process. Comparison of the activation energies suggests nucleation of full dislocations in Mo and partial dislocations in Ni. The activation energy analysis also offers information on the specific slip system on which dislocations are nucleated. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Wang, L.; Li, T. L.; Gao, Y. F.; George, E. P.; Nieh, T. G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Bei, H.; George, E. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Gao, Y. F.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Nieh, TG (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM tnieh@utk.edu RI Gao, Yanfei/F-9034-2010; Li, Tianlei/F-8865-2010; Bei, Hongbin/I-6576-2012; Nieh, Tai-Gang/G-5912-2011; George, Easo/L-5434-2014; OI Gao, Yanfei/0000-0003-2082-857X; Li, Tianlei/0000-0003-1962-9290; Nieh, Tai-Gang/0000-0002-2814-3746; Bei, Hongbin/0000-0003-0283-7990 FU National Science Foundation [NSF DMR-0905979]; US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Tennessee Agricultural Experiment Station; University of Tennessee College of Engineering FX This work was supported by the National Science Foundation under contract NSF DMR-0905979 (T.G.N. and LW.) and by the US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (H.B., T.L., Y.F.G. and E.P.G.). Instrumentation for the nanoindentation work was jointly funded by the Tennessee Agricultural Experiment Station and the University of Tennessee College of Engineering. NR 39 TC 22 Z9 22 U1 2 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2011 VL 65 IS 3 BP 179 EP 182 DI 10.1016/j.scriptamat.2011.03.036 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 787DM UT WOS:000292356800002 ER PT J AU Monti, HM Butt, AR Vazhkudai, SS AF Monti, Henry M. Butt, Ali R. Vazhkudai, Sudharshan S. TI Timely Result-Data Offloading for Improved HPC Center Scratch Provisioning and Serviceability SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE High-performance data management; HPC center serviceability; offloading; end-user data delivery; peer-to-peer AB Modern High-Performance Computing (HPC) centers are facing a data deluge from emerging scientific applications. Supporting large data entails a significant commitment of the high-throughput center storage system, scratch space. However, the scratch space is typically managed using simple "purge policies," without sophisticated end-user data services to balance resource consumption and user serviceability. End-user data services such as offloading are performed using point-to-point transfers that are unable to reconcile center's purge and users' delivery deadlines, unable to adapt to changing dynamics in the end-to-end data path and are not fault-tolerant. Such inefficiencies can be prohibitive to sustaining high performance. In this paper, we address the above issues by designing a framework for the timely, decentralized offload of application result data. Our framework uses an overlay of user-specified intermediate and landmark sites to orchestrate a decentralized fault-tolerant delivery. We have implemented our techniques within a production job scheduler (PBS) and data transfer tool (BitTorrent). Our evaluation using both a real implementation and supercomputer job log-driven simulations show that: the offloading times can be significantly reduced (90.4 percent for a 5 GB data transfer); the exposure window can be minimized while also meeting center-user service level agreements. C1 [Monti, Henry M.; Butt, Ali R.] Virginia Polytech Inst & State Univ, Dept Comp Sci, Blacksburg, VA 24061 USA. [Vazhkudai, Sudharshan S.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Monti, HM (reprint author), Virginia Polytech Inst & State Univ, Dept Comp Sci, 2202 Kraft Dr, Blacksburg, VA 24061 USA. EM hmonti@cs.vt.edu; butta@cs.vt.edu; vazhkudaiss@ornl.gov FU ORNL; US Department of Energy [DE-AC05-00OR22725]; US National Science Foundation [CCF-0746832] FX This research is sponsored in part by the LDRD program of ORNL, managed by UT-Battelle, LLC for the US Department of Energy under Contract No. DE-AC05-00OR22725, and by the US National Science Foundation grant CCF-0746832. NR 53 TC 3 Z9 3 U1 1 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD AUG PY 2011 VL 22 IS 8 BP 1307 EP 1322 DI 10.1109/TPDS.2010.190 PG 16 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 782YA UT WOS:000292047500007 ER PT J AU Albert, VV Badaeva, E Kilina, S Sykora, M Tretiak, S AF Albert, Victor V. Badaeva, Ekaterina Kilina, Svetlana Sykora, Milan Tretiak, Sergei TI The Frenkel exciton Hamiltonian for functionalized Ru(II)-bpy complexes SO JOURNAL OF LUMINESCENCE LA English DT Article DE DFT; TDDFT; Frenkel exciton model; Ru(bpy); Functionalized pyridine ID PHOTOINDUCED CHARGE-TRANSFER; RUTHENIUM DIIMINE COMPLEXES; SENSITIZED SOLAR-CELLS; ELECTRONIC-STRUCTURE; 2-PHOTON ABSORPTION; SOLVENT DEPENDENCE; OPTICAL-PROPERTIES; WATER OXIDATION; PURPLE BACTERIA; ENERGY-TRANSFER AB Electronic excitation energies and wavefunctions are calculated for Ru(bpy)(3)(+2) (bpy = 2,2'-bipyridine) and its two derivatives, where one or two bpy ligands are functionalized with carboxyl and methyl groups. We show that the structure of these molecules allows one to express their excitations in terms of wavefunctions localized on individual ligands via the Frenkel exciton model. The model is based on three parameters - effective single-ligand excitation energy, inter-ligand interaction coupling, and energy shift brought by the ligand functionalization - that are extracted from time-dependent density functional theory (TDDFT). This simple model is able to accurately explain the optical intensity, localization properties, and splitting patterns of the low-energy excited states not only in molecules with a high degree of symmetry, but also in non-symmetrically functionalized Ru(II) complexes in vacuum and in solvent. Such reduced description of the excited states provides better understanding and interpretation of experimental data on Ru-polypyridine complexes, and allows for description of excited-state structure in a large ensemble of interacting molecules and treatment of possible charge and energy transfer phenomena in the material. (C) 2011 Elsevier B.V. All rights reserved. C1 [Albert, Victor V.; Badaeva, Ekaterina; Kilina, Svetlana; Tretiak, Sergei] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies CNLS, Los Alamos, NM 87545 USA. [Albert, Victor V.; Badaeva, Ekaterina; Kilina, Svetlana; Tretiak, Sergei] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA. [Badaeva, Ekaterina] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Sykora, Milan] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Tretiak, S (reprint author), Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies CNLS, Los Alamos, NM 87545 USA. EM serg@lanl.gov RI Albert, Victor/B-3614-2008; Tretiak, Sergei/B-5556-2009 OI Albert, Victor/0000-0002-0335-9508; Tretiak, Sergei/0000-0001-5547-3647 FU U.S. Department of Energy [DE-AC52-06NA25396]; Los Alamos LDRD funds; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES); Center for Integrated Nanotechnology (CINT); Center for Nonlinear Studies (CNLS) FX VVA acknowledges Kirill A. Velizhanin for insightful advice and fruitful discussions. This work was supported by the U.S. Department of Energy and Los Alamos LDRD funds. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. S.T. acknowledges support of the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES). We acknowledge the support of the Center for Integrated Nanotechnology (CINT) and the Center for Nonlinear Studies (CNLS). NR 75 TC 8 Z9 8 U1 3 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 J9 J LUMIN JI J. Lumines. PD AUG PY 2011 VL 131 IS 8 BP 1739 EP 1746 DI 10.1016/j.jlumin.2011.04.009 PG 8 WC Optics SC Optics GA 781FJ UT WOS:000291915700035 ER PT J AU Rodriguez, MA AF Rodriguez, Marko A. TI The RDF virtual machine SO KNOWLEDGE-BASED SYSTEMS LA English DT Article DE RDF; Web of data; Linked data; Virtual machines; Programming languages ID SEMANTIC WEB AB The Resource Description Framework (RDF) is a semantic network data model that is used to create machine-understandable descriptions of the world and is the basis of the Semantic Web. This article discusses the application of RDF to the representation of computer software and virtual computing machines. The Semantic Web is posited as not only a web of data, but also as a web of programs and processes. Published by Elsevier B.V. C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Rodriguez, MA (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, T-7, Los Alamos, NM 87545 USA. EM marko@markorodriguez.com FU Digital Library Research and Prototyping Team; Center for Nonlinear Studies of the Los Alamos National Laboratory FX Joshua Shinavier of Knowledge Reef Systems Inc. and the Rensselaer Polytechnic Institute and the designer of the Ripple RDF programming language provided much insight during the development of these ideas. Moreover, Josh contributed helpful text to an original draft version. Joe Geldart of the University of Durham and designer of the Adenosine RDF programming language and Callaghan RVM provided assistance in the discussion of Adenosine. Likewise, Chris Goad, the designer of the FABL language and RVM provide assistance with FABL. Ryan Chute of the Digital Library Research and Prototyping Team of the Los Alamos National Laboratory engineered the Neno/Fhat compiler and Fhat RVM process. This work was supported by both the Digital Library Research and Prototyping Team and the Center for Nonlinear Studies of the Los Alamos National Laboratory. NR 55 TC 2 Z9 3 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0950-7051 EI 1872-7409 J9 KNOWL-BASED SYST JI Knowledge-Based Syst. PD AUG PY 2011 VL 24 IS 6 BP 890 EP 903 DI 10.1016/j.knosys.2011.04.004 PG 14 WC Computer Science, Artificial Intelligence SC Computer Science GA 785JH UT WOS:000292224800016 ER PT J AU Wong, CY Lee, TG AF Wong, Cheuk-Yin Lee, Teck-Ghee TI Stability of matter-antimatter molecules SO ANNALS OF PHYSICS LA English DT Article DE Four-body problem; Matter-antimatter molecules; Particle-antiparticle molecules ID ANTIHYDROGEN ATOMS; HYDROGEN; SCATTERING; POSITRONIUM; STATES; ANNIHILATION; RESONANCES; COLLISIONS; SYSTEM; MODEL AB We examine the stability of matter-antimatter molecules by reducing the four-body problem into a simpler two-body problem with residual interactions. We find that matter-antimatter molecules with constituents (m(1)(+), m(2)(-), (m) over bar (+)(2), (m) over bar (-)(1)) possess bound states if their constituent mass ratio m(1)/m(2) is greater than about 4. This stability condition suggests that the binding of matter-antimatter molecules is a rather common phenomenon. We evaluate the binding energies and eigenstates of matter-antimatter molecules (mu(+)e(-)) - (e(+)mu(-)), (pi(+)e(-)) - (e(+)pi(-)), (K(+)e(-)) - (e(+)K(-) (pe(-)) - (e(+)(p) over bar (p mu(-)) - (mu(+)(p) over bar), and (K+mu(-)) - (mu K-+(-)), which satisfy the stability condition. We estimate the molecular annihilation lifetimes in their s states. (C) 2011 Elsevier Inc. All rights reserved. C1 [Wong, Cheuk-Yin] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Lee, Teck-Ghee] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. RP Wong, CY (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM wongc@ornl.gov; teck@physics.auburn.edu RI Lee, Teck Ghee/D-5037-2012; OI Lee, Teck Ghee/0000-0001-9472-3194; Wong, Cheuk-Yin/0000-0001-8223-0659 FU Office of Nuclear Physics, US Department of Energy FX One of the authors (CYVV) acknowledges the benefits of tutorials at Princeton University from the late Professor J.A. Wheeler whose "polyelectrons" and "nanosecond matter" had either consciously or unconsciously stimulated the present investigation. For this reason the present article was written to commemorate the Centennial Birthday of Professor J.A. Wheeler (1911-2008). The research was sponsored by the Office of Nuclear Physics, US Department of Energy. NR 65 TC 2 Z9 2 U1 1 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-4916 EI 1096-035X J9 ANN PHYS-NEW YORK JI Ann. Phys. PD AUG PY 2011 VL 326 IS 8 BP 2138 EP 2164 DI 10.1016/j.aop.2011.04.014 PG 27 WC Physics, Multidisciplinary SC Physics GA 781DM UT WOS:000291910800015 ER PT J AU Mammoliti, F Bellini, V Cisbani, E Cusanno, F Garibaldi, F Giusa, A de Jager, K Russo, G Sperduto, ML Sutera, CM Urciuoli, GM AF Mammoliti, F. Bellini, V. Cisbani, E. Cusanno, F. Garibaldi, F. Giusa, A. de Jager, K. Russo, G. Sperduto, M. L. Sutera, C. M. Urciuoli, G. M. TI A RICH detector for hadron identification at JLab SO APPLIED RADIATION AND ISOTOPES LA English DT Article; Proceedings Paper CT 6th Workshop on European Collaboration for Higher Education and Res in Nuclear Engineering and Radiological Protection CY JUN 07-09, 2010 CL Coimbra, PORTUGAL DE Low and intermediate energy hadrons; Position-sensitive detectors; Particle identification ID JEFFERSON-LAB; HALL-A; PHYSICS AB The "standard" Hall A apparatus at Jefferson Lab (TOF and aerogel threshold Cherenkov detectors) does not provide complete identification for proton, kaon and pion. To this aim, a proximity focusing C6F14/Csl RICH (Ring Image CHerenkov) detector has been designed, built, tested and operated to separate kaons from pions with a pion contamination of a few percent up to 2.4 GeV/c. Two quite different experimental investigations have benefitted of the RICH identification: on one side, the high-resolution hypernuclear spectroscopy series of experiments on carbon, beryllium and oxygen, devoted to the study of the lambda-nucleon potential. On the other side, the measurements of the single spin asymmetries of pion and kaon on a transversely polarized He-3 target are of utmost interest in understanding QCD dynamics in the nucleon. We present the technical features of such a RICH detector and comment on the presently achieved performance in hadron identification. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Mammoliti, F.; Bellini, V.; Giusa, A.; Russo, G.; Sperduto, M. L.] Univ Catania, Dipartimento Fis & Astron, I-95123 Catania, Italy. [Mammoliti, F.; Bellini, V.; Giusa, A.; Russo, G.; Sperduto, M. L.; Sutera, C. M.] Ist Nazl Fis Nucl, Sez Catania, I-95123 Catania, Italy. [Cisbani, E.; Cusanno, F.; Garibaldi, F.; Urciuoli, G. M.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Cisbani, E.; Cusanno, F.; Garibaldi, F.; Urciuoli, G. M.] Grp Collegato Sanita, I-00185 Rome, Italy. [Cisbani, E.; Cusanno, F.] Ist Super Sanita, I-00161 Rome, Italy. [de Jager, K.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Mammoliti, F (reprint author), Univ Catania, Dipartimento Fis & Astron, Via Santa Sofia 64, I-95123 Catania, Italy. EM francesco.mammoliti@ct.infn.it RI Giusa, Antonio/G-5508-2012; Sperduto, Maria Leda/K-2310-2015; BELLINI, Vincenzo/B-1239-2012; Cisbani, Evaristo/C-9249-2011 OI Giusa, Antonio/0000-0002-5142-0043; Sperduto, Maria Leda/0000-0003-0290-7397; BELLINI, Vincenzo/0000-0001-6906-7463; Cisbani, Evaristo/0000-0002-6774-8473 NR 5 TC 0 Z9 0 U1 1 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2011 VL 69 IS 8 SI SI BP 1118 EP 1120 DI 10.1016/j.apradiso.2010.10.020 PG 3 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 783IB UT WOS:000292073600005 PM 21131207 ER PT J AU Giusa, A Bellini, V Mammoliti, F Russo, G Sperduto, ML Sutera, CM Cisbani, E Garibaldi, F Urciuoli, GM Capogni, M Cates, GD de Jager, K Wojtsekhowski, B AF Giusa, A. Bellini, V. Mammoliti, F. Russo, G. Sperduto, M. L. Sutera, C. M. Cisbani, E. Garibaldi, F. Urciuoli, G. M. Capogni, M. Cates, G. D. de Jager, K. Wojtsekhowski, B. TI Nucleon form factor studies at JLab SO APPLIED RADIATION AND ISOTOPES LA English DT Article; Proceedings Paper CT 6th Workshop on European Collaboration for Higher Education and Res in Nuclear Engineering and Radiological Protection CY JUN 07-09, 2010 CL Coimbra, PORTUGAL DE Electromagnetic form factors; Charged-particle spectrometers; Position-sensitive detectors ID SQUARED 4-MOMENTUM TRANSFERS; POLARIZATION TRANSFER; PROTON; SCATTERING AB The ratio of the electromagnetic proton elastic form factors, G(E)(p)/G(M)(p), has been measured at Jefferson Lab up to Q(2) approximate to 9 (GeV/c)(2), by using the CEBAF 6 GeV electron beam, and revealing an unexpected and challenging physical behaviour. The 2014 scheduled 12 GeV upgrade will allow the measurement of G(E)(p)/G(M)(p) up to Q(2) approximate to 15 (GeV/c)(2), by taking advantage of the new large-acceptance forward spectrometer Super BigBite (SBS) in Hall A. Measurements of neutron form factors in the region around 10 (GeV/c)(2), where quark confinement plays an important role, are expected to show the behaviour already observed in the proton case. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Giusa, A.; Bellini, V.; Mammoliti, F.; Russo, G.; Sperduto, M. L.] Univ Catania, Dipartimento Fis & Astron, I-95123 Catania, Italy. [Giusa, A.; Bellini, V.; Mammoliti, F.; Russo, G.; Sperduto, M. L.; Sutera, C. M.] Ist Nazl Fis Nucl, Sez Catania, I-95123 Catania, Italy. [Cisbani, E.; Garibaldi, F.; Urciuoli, G. M.; Capogni, M.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Cisbani, E.; Garibaldi, F.; Urciuoli, G. M.; Capogni, M.] Grp Collegato Sanita, I-00185 Rome, Italy. [Cisbani, E.] Ist Super Sanita, I-00161 Rome, Italy. [Capogni, M.] Enea Ist Nazl Metrol Radiaz Ionizzanti INMRI ENEA, I-00100 Rome, Italy. [Cates, G. D.; de Jager, K.; Wojtsekhowski, B.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Giusa, A (reprint author), Univ Catania, Dipartimento Fis & Astron, Via Santa Sofia 64, I-95123 Catania, Italy. EM antonio.giusa@ct.infn.it RI Giusa, Antonio/G-5508-2012; Sperduto, Maria Leda/K-2310-2015; BELLINI, Vincenzo/B-1239-2012; Cisbani, Evaristo/C-9249-2011 OI Giusa, Antonio/0000-0002-5142-0043; Sperduto, Maria Leda/0000-0003-0290-7397; BELLINI, Vincenzo/0000-0001-6906-7463; Cisbani, Evaristo/0000-0002-6774-8473 NR 25 TC 0 Z9 0 U1 1 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2011 VL 69 IS 8 SI SI BP 1125 EP 1127 DI 10.1016/j.apradiso.2010.11.009 PG 3 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 783IB UT WOS:000292073600007 PM 21145242 ER PT J AU Runciman, A Xu, D Pelton, AR Ritchie, RO AF Runciman, Amanda Xu, David Pelton, Alan R. Ritchie, Robert O. TI An equivalent strain/Coffin-Manson approach to multiaxial fatigue and life prediction in superelastic Nitinol medical devices SO BIOMATERIALS LA English DT Article DE Medical devices; Nitinol; Fatigue; Life prediction; Multiaxial loads ID SHAPE-MEMORY; DEFORMATION ANALYSIS; PSEUDOELASTIC NITI; STENT FRACTURES; IN-VITRO; ALLOY AB Medical devices, particularly endovascular stents, manufactured from superelastic Nitinol, a near-equiatomic alloy of Ni and Ti, are subjected to complex mixed-mode loading conditions in vivo, including axial tension and compression, radial compression, pulsatile, bending and torsion. Fatigue lifetime prediction methodologies for Nitinol, however, are invariably based on uniaxial loading and thus fall short of accurately predicting the safe lifetime of stents under the complex multiaxial loading conditions experienced physiologically. While there is a considerable body of research documented on the cyclic fatigue of Nitinol in uniaxial tension or bending, there remains an almost total lack of comprehensive fatigue lifetime data for other loading conditions, such as torsion and tension/torsion. In this work, thin-walled Nitinol tubes were cycled in torsion at various mean and alternating strains to investigate the fatigue life behavior of Nitinol and results compared to equivalent fatigue data collected under uniaxial tensile/bending loads. Using these strain-life results for various loading modes and an equivalent referential (Lagrangian) strain approach, a strategy for normalizing these data is presented. Based on this strategy, a fatigue lifetime prediction model for the multiaxial loading of Nitinol is presented utilizing a modified Coffin-Manson approach where the number of cycles to failure is related to the equivalent alternating transformation strain. Published by Elsevier Ltd. C1 [Runciman, Amanda; Xu, David; Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Runciman, Amanda; Xu, David; Ritchie, Robert O.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA. [Pelton, Alan R.] Nitinol Devices & Components, Fremont, CA USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 FU Nitinol Devices & Components, Inc. (Fremont, CA); Cordis Corporation; Johnson & Johnson (Bridgewater, NJ) FX This work was supported by initially by a grant from Nitinol Devices & Components, Inc. (Fremont, CA) and subsequently by a grant from Cordis Corporation, a subsidiary of Johnson & Johnson (Bridgewater, NJ). The authors wish to thank Brian Panganiban for his experimental assistance and Dr. Michael R. Mitchell for his invaluable advice on the torsional testing of Nitinol. NR 32 TC 31 Z9 33 U1 1 U2 32 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD AUG PY 2011 VL 32 IS 22 BP 4987 EP 4993 DI 10.1016/biomaterials.2011.03.057 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 780ZP UT WOS:000291900700001 PM 21531019 ER PT J AU Vranckx, S Heufer, KA Lee, C Olivier, H Schill, L Kopp, WA Leonhard, K Taatjes, CA Fernandes, RX AF Vranckx, S. Heufer, K. A. Lee, C. Olivier, H. Schill, L. Kopp, W. A. Leonhard, K. Taatjes, C. A. Fernandes, R. X. TI Role of peroxy chemistry in the high-pressure ignition of n-butanol - Experiments and detailed kinetic modelling SO COMBUSTION AND FLAME LA English DT Article DE n-Butanol oxidation; High-pressure kinetics; Peroxy chemistry; Ignition delays; Shock tube ID HIGHER-ALCOHOL/GASOLINE BLENDS; SINGLE-CYLINDER ENGINE; REFLECTED SHOCK-WAVES; CLOSTRIDIUM-ACETOBUTYLICUM; ESCHERICHIA-COLI; COMBUSTION CHARACTERISTICS; RECOMBINATION REACTION; ALKYLPEROXY RADICALS; HYDROGEN-PEROXIDE; DELAY TIMES AB Despite considerable interest in butanol as a potential biofuel candidate, its ignition behaviour at elevated pressures still remains largely unexplored. The present study investigates the oxidation of n-butanol in air at pressures near 80 bar. Ignition delays were determined experimentally in the temperature range of 795-1200 K between 61 and 92 bar. The time of ignition was determined by recording pressure and CH-emission time histories throughout the course of the experiments. The results display the first evidence of the influence of negative temperature coefficient (NTC) behaviour which was not observed in earlier ignition studies. The high-pressure measurements show that NTC behaviour is enhanced as pressures are increased. The experimental results were modelled using an improved chemical kinetic mechanism which includes a simplified sub-mechanism for butyl-peroxy formation and isomerisation reactions currently incompletely accounted for in n-butanol kinetic models. The detailed mechanism validated with the high-pressure ignition results for realistic engine in-cylinder conditions can have significant impact on future advanced low-temperature combustion engines. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Vranckx, S.; Heufer, K. A.; Lee, C.; Olivier, H.; Fernandes, R. X.] Rhein Westfal TH Aachen, Shock Wave Lab, D-52056 Aachen, Germany. [Schill, L.; Kopp, W. A.; Leonhard, K.] Rhein Westfal TH Aachen, Tech Thermodynam LTT, D-52056 Aachen, Germany. [Taatjes, C. A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Fernandes, RX (reprint author), Rhein Westfal TH Aachen, Shock Wave Lab, Templergraben 55, D-52056 Aachen, Germany. EM fernandes@swl.rwth-aachen.de RI Leonhard, Kai/B-2127-2009; Kopp, Wassja/I-2348-2013; Heufer, Karl Alexander/O-3892-2014 OI Kopp, Wassja/0000-0001-8147-3464; FU German federal and state governments to promote science and research at German universities; Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the US Department of Energy; United States Department of Energy [DE-AC04-94AL85000] FX The authors thank Cluster of Excellence "Tailor Made Fuels from Biomass", which is funded by the Excellence Initiative by the German federal and state governments to promote science and research at German universities. C.A.T acknowledges support from the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the US Department of Energy, as part of the Argonne-Sandia Consortium on High-Pressure Combustion Chemistry. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy, under Contract DE-AC04-94AL85000. NR 88 TC 56 Z9 58 U1 3 U2 44 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD AUG PY 2011 VL 158 IS 8 BP 1444 EP 1455 DI 10.1016/j.combustflame.2010.12.028 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 783IO UT WOS:000292074900002 ER PT J AU Shim, JH Powers, HH Meyer, CW Pockman, WT McDowell, N AF Shim, Jee H. Powers, Heath H. Meyer, Clifton W. Pockman, William T. McDowell, Nate TI The role of interannual, seasonal, and synoptic climate on the carbon isotope ratio of ecosystem respiration at a semiarid woodland SO GLOBAL CHANGE BIOLOGY LA English DT Article DE carbon cycle; ecohydrology; microbes; phloem transport; sapflow; soil respiration ID TUNABLE DIODE-LASER; ATMOSPHERE CO2 EXCHANGE; PINYON-JUNIPER WOODLAND; VAPOR-PRESSURE DEFICIT; DARK-RESPIRED CO2; SOIL RESPIRATION; PHASEOLUS-VULGARIS; SAP-FLOW; RHIZOSPHERE RESPIRATION; ABSORPTION-SPECTROSCOPY AB The terrestrial carbon cycle is influenced by environmental variability at scales ranging from diurnal to interannual. Here, we present 5-years of growing season (day 131-275) observations of the carbon isotope ratio of ecosystem respiration (delta(13)C(R)) from a semiarid woodland. This ecosystem has a large necromass component resulting from 97% Pinus edulis mortality in 2002, is dominated by drought-tolerant Juniperus monosperma trees, and experiences large variability in the timing and intensity of seasonal and synoptic water availability. Mean growing season delta(13)C(R) was remarkably invariant (-23.57 +/- 0.4 parts per thousand), with the exception of particularly enriched delta(13)C(R) in 2006 following a winter with anomalously low snowfall. delta(13)C(R) was strongly coupled to climate during premonsoon periods (similar to May to June), including fast (<= 2 days) responses to changes in crown-level stomatal conductance (G(c)) and vapor pressure deficit (vpd) following rain pulses. In contrast, delta(13)C(R) was relatively decoupled from G(c) and environmental drivers during monsoon and postmonsoon periods (July-August and September, respectively), exhibiting only infrequent couplings of delta(13)C(R) to vpd and soil water content (SWC) with longer lags (similar to 8 days) and variable response slopes (both positive and negative). Notably, delta(13)C(R) exhibited consistent dynamics after rainfall events, with depleted delta(13)C(R) occurring within 1 h, progressive hourly delta(13)C(R) enrichment over the remainder of the night, and net delta(13)C(R) depletions over the multiple nights postevent in monsoon and postmonsoon periods. Overall this ecosystem demonstrated strong dependence of delta(13)C(R) on precipitation, with an apparent dominance by the autotrophic delta(13)C signal in premonsoon periods when deep soil moisture is abundant and surface soil moisture is low, and weaker coupling during monsoonal periods consistent with increasing heterotrophic dominance when deep soil moisture has declined and surface moisture is variable. C1 [Shim, Jee H.; Powers, Heath H.; Meyer, Clifton W.; McDowell, Nate] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Pockman, William T.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. RP Shim, JH (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, MS-J495, Los Alamos, NM 87545 USA. EM jee_@lanl.gov RI Pockman, William/D-4086-2014 OI Pockman, William/0000-0002-3286-0457 FU LANL-Laboratory Directed Research and Development (LDRD); Institute for Geophysical and Planetary Research (IGPP); Department of Energy, Office of Science, Office of Biological and Environmental Research (DOE-BER) FX We appreciate the technical and field support provided by Steve Sargent, Karen Brown, and numerous undergraduate interns during the 5 years of this study. Funding for this project was derived from LANL-Laboratory Directed Research and Development (LDRD), the Institute for Geophysical and Planetary Research (IGPP), and the Department of Energy, Office of Science, Office of Biological and Environmental Research (DOE-BER). NR 87 TC 3 Z9 3 U1 1 U2 36 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD AUG PY 2011 VL 17 IS 8 BP 2584 EP 2600 DI 10.1111/j.1365-2486.2011.02454.x PG 17 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 786KX UT WOS:000292308300007 ER PT J AU Levitskaia, TG Creim, JA Curry, TL Luders, T Peterson, JM Thrall, KD Levinson, B AF Levitskaia, Tatiana G. Creim, Jeffrey A. Curry, Terry L. Luders, Teresa Peterson, James M. Thrall, Karla D. Levinson, Barry TI EVALUATION OF CUPRIMINE (R) AND SYPRINE (R) FOR DECORPORATION OF RADIOISOTOPES OF CESIUM, COBALT, IRIDIUM AND STRONTIUM SO HEALTH PHYSICS LA English DT Article DE chelation; cesium; cobalt; iridium; strontium; decorporation ID RAT; CO-60; RADIONUCLIDES; BIOKINETICS; CHELATORS; RETENTION; PARAMETER; INGESTION; EXCRETION; TOXICITY AB Cuprimine (R) and Syprine (R) are therapeutics approved by the USFDA to treat copper overload in Wilson Disease (a genetic defect in copper transport) by chelation and accelerated excretion of internally-deposited copper. These oral therapeutics are based on the respective active ingredients D-penicillamine (DPA) and N,N'-bis (2-aminoethyl) -1,2-ethanediamine dihydrochloride (Trien). Cuprimine is considered the primary treatment, although physicians are increasingly turning to Syprine as a first-line therapy. Both drugs exhibit oral systemic activity and low toxicity; their biological effects and safety are established. Previous in vivo studies using a rodent animal model established the decorporation potential of Cuprimine and Syprine for Co-60 and Po-210. Currently these studies are being expanded to evaluate the in vivo decorporation efficacy of these drugs for several additional radionuclides. In this report, results of this investigation are discussed using the radionuclides Cs-137, Co-60, Ir-192 and Sr-85. Short-term 48-h pilot studies were undertaken to evaluate DPA and Trien for their in vivo decorporation potential using male Wistar-Han rats. In these studies, a radionuclide solution was administered to the animals by intravenous (IV) injection, followed by a single IV dose of either DPA or Trien. Control animals received the radionuclide alone. Results show effective decorporation of Co-60 by DPA within the time frame evaluated. DPA and Trien were also modestly effective in decorporation of Cs-137 and Sr-85, respectively. The study did not find DPA or Trien effective for decorporation of Ir-192. Based on these encouraging findings, further studies to evaluate the dose-response profiles and timing of the chelator administration post exposure to radionuclides are warranted. Health Phys. 101(2):118-127; 2011 C1 [Levitskaia, Tatiana G.; Creim, Jeffrey A.; Curry, Terry L.; Luders, Teresa; Peterson, James M.; Thrall, Karla D.] Battelle Mem Inst, Pacific NW Div, Richland, WA 99352 USA. [Levinson, Barry] Aton Pharma Inc, Lawrenceville, NJ 08648 USA. RP Levitskaia, TG (reprint author), Battelle Mem Inst, Pacific NW Div, 902 Battelle Blvd,Mail Stop P7-25, Richland, WA 99352 USA. EM tatiana.levitskaia@pnl.gov FU U.S. Department of Defense, Defense Threat Reduction Agency [CBM.RAD.01.10.PN.020]; U.S. Department of Energy [DE-AC05-76RL01830] FX This research was supported by the U.S. Department of Defense, Defense Threat Reduction Agency, under contract CBM.RAD.01.10.PN.020 and performed at the Pacific Northwest National Laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. NR 44 TC 1 Z9 1 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 AUG PY 2011 VL 101 IS 2 BP 118 EP 127 DI 10.1097/HP.0b013e318208ceb6 PG 10 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 784CB UT WOS:000292130100003 PM 21709497 ER PT J AU O'Hara, MJ Carter, JC MacLellan, JA Warner, CL Warner, MG Addleman, RS AF O'Hara, Matthew J. Carter, Jennifer C. MacLellan, Jay A. Warner, Cynthia L. Warner, Marvin G. Addleman, R. Shane TI INVESTIGATION OF MAGNETIC NANOPARTICLES FOR THE RAPID EXTRACTION AND ASSAY OF ALPHA-EMITTING RADIONUCLIDES FROM URINE: DEMONSTRATION OF A NOVEL RADIOBIOASSAY METHOD SO HEALTH PHYSICS LA English DT Article DE alpha particles; bioassay; emergencies; radiological; monitoring; personnel ID SELF-ASSEMBLED MONOLAYERS; MESOPOROUS SUPPORTS; WATER SAMPLES; SORBENTS; SEPARATION; ACTINIDES; SORPTION; REMOVAL; GROUNDWATER; ADSORPTION AB In the event of an accidental or intentional release of radionuclides into a populated area, massive numbers of people may require radiobioassay screening as triage for dose-reduction therapy or identification for longer-term follow-up. If the event released significant levels of beta-or alpha-emitting radionuclides, in vivo assays would be ineffective. Therefore, highly efficient and rapid analytical methods for radionuclide detection from submitted spot urine samples (<= 50 mL) would be required. At present, the quantitative determination of alpha-emitting radionuclides from urine samples is highly labor intensive and requires significant time to prepare and analyze samples. Sorbent materials that provide effective collection and enable rapid assay could significantly streamline the radioanalytical process. The authors have demonstrated the use of magnetic nanoparticles as a novel method of extracting media for four alpha-emitting radionuclides of concern (polonium, radium, uranium and americium) from chemically-unmodified and pH-2 human urine. Herein, the initial experimental sorption results are presented along with a novel method that uses magnetic nanoparticles to extract radionuclides from unmodified human urine and then collect the magnetic field-induced particles for subsequent alpha-counting-source preparation. Additionally, a versatile human dose model is constructed that determines the detector count times required to estimate dose at specific protective-action thresholds. The model provides a means to assess a method's detection capabilities and uses fundamental health physics parameters and actual experimental data as core variables. The modeling shows that, with effective sorbent materials, rapid screening for alpha-emitters is possible with a 50-mL urine sample collected within 1 wk of exposure/intake. Health Phys. 101(2):196-208; 2011 C1 [O'Hara, Matthew J.; Carter, Jennifer C.; MacLellan, Jay A.; Warner, Cynthia L.; Warner, Marvin G.; Addleman, R. Shane] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Addleman, RS (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM raymond.addleman@pnl.gov OI O'Hara, Matthew/0000-0003-3982-5897 FU National Institute of Allergy and Infectious Diseases [R01-AI080502]; Pacific Northwest National Laboratory's Laboratory Directed Research and Development; U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory; U.S. Department of Energy [DE-AC05-76RL01830] FX This work was supported by the National Institute of Allergy and Infectious Diseases (R01-AI080502) as part of the Nuclear Medical Countermeasures Program and by Pacific Northwest National Laboratory's Laboratory Directed Research and Development. The contents of this work are solely the responsibility of the authors and do not necessarily represent the official views of NIH. A portion of research was performed using the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for the U.S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. The authors would like to thank Eugene H. Carbaugh for helpful discussions and manuscript review, Alice Dohnalkova for TEM images and John McCloy for magnetic measurements. NR 54 TC 6 Z9 6 U1 1 U2 13 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD AUG PY 2011 VL 101 IS 2 BP 196 EP 208 DI 10.1097/HP.0b013e3182166ed1 PG 13 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 784CB UT WOS:000292130100015 PM 21709509 ER PT J AU Oh, T Kim, JY Shin, Y Engelhard, M Weil, KS AF Oh, Takkeun Kim, Jin Yong Shin, Yongsoon Engelhard, Mark Weil, K. Scott TI Effects of tungsten oxide addition on the electrochemical performance of nanoscale tantalum oxide-based electrocatalysts for proton exchange membrane (PEM) fuel cells SO JOURNAL OF POWER SOURCES LA English DT Article DE PEM; ORR; Tantalum oxide-based catalyst; Non-PGM catalyst ID OXYGEN REDUCTION REACTION; CATALYTIC-ACTIVITY; SULFURIC-ACID; ELECTRODE; CATHODES; FILMS AB In the present study, the properties of non-platinum based nanoscale tantalum oxide/tungsten oxide-carbon composite catalysts were investigated for potential use in catalyzing the oxygen reduction reaction on the cathode side of a PEM fuel cell. All of the tantalum oxide-based catalysts exhibit high ORR on-set potentials, comparable with the commercial Pt/C catalyst even though oxygen reduction current was limited. The tungsten oxide doping to tantalum oxide improved catalytic performance. The performance enhancement was due to a decrease in resistance polarization with increasing tungsten content mainly due to the decrease in resistance polarization. XPS results indicate that the oxidation state of tungsten is +6 and that of the tantalum is +5, suggesting that excess oxygen is generated in the resulting oxide structure. This compositional effect seems to reduce resistance polarization by altering the surface chemistry of the tantalum oxide and enhancing the reaction steps such as surface diffusion. Maximum performance was achieved with a catalyst containing 32 mol% of tungsten oxide, reaching a mass specific current density of similar to 7% that of the commercial Pt/C catalyst at 0.6 V vs. NNE and similar to 35% at 0.2 V vs. NHE. In term of area-specific current density, five-fold increase in loading of the doped catalyst leads to a 4-4.5 fold increase in area specific current density at 0.6V vs. NNE, reaching 66% that of the Pt/C catalyst at 100 rpm and 35% at 2400 rpm. Published by Elsevier B.V. C1 [Oh, Takkeun; Kim, Jin Yong; Shin, Yongsoon; Engelhard, Mark; Weil, K. Scott] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kim, JY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM Jin.Kim@pnl.gov RI Engelhard, Mark/F-1317-2010; OI Engelhard, Mark/0000-0002-5543-0812 FU Pacific Northwest National Laboratory (PNNL); Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory; United States Department of Energy (U.S. DOE) [DE-AC06-76RLO 1830] FX This work was supported by Pacific Northwest National Laboratory (PNNL) lab-directed research and development (LDRD) program. The XPS and TEM studies were 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. PNNL is operated by Battelle Memorial Institute for the United States Department of Energy (U.S. DOE) under contract DE-AC06-76RLO 1830. NR 26 TC 19 Z9 19 U1 3 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2011 VL 196 IS 15 BP 6099 EP 6103 DI 10.1016/j.jpowsour.2011.03.058 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 783GA UT WOS:000292068300014 ER PT J AU Cui, GF Shen, PK Meng, H Zhao, J Wu, G AF Cui, Guofeng Shen, Pei Kang Meng, Hui Zhao, Jie Wu, Gang TI Tungsten carbide as supports for Pt electrocatalysts with improved CO tolerance in methanol oxidation SO JOURNAL OF POWER SOURCES LA English DT Article DE Tungsten carbide; Theoretical calculation; CO poisoning; Methanol oxidation; Fuel cells ID ELECTROOXIDATION; CATALYSTS; DENSITY; ALLOY; RU; NANOTUBES; SURFACES; TERNARY; PT(111); DFT AB One anti-CO-poisoning Pt-WC/C catalyst for methanol electro-oxidation is prepared in this work, through depositing platinum on tungsten carbide support using an intermittent microwave heating (IMH) method. The catalyst presents an improved methanol oxidation performance evidenced by a negative shift in onset potential, and increase of peak current density, compared with a commercial Pt/C one. CO stripping experiments indicate that the adsorbed CO is able to be oxidized and removed from the Pt-WC/C catalyst more easily, attesting the enhanced capability of anti-poisoning to CO-like species. Theoretical calculation further provides evidence that the surface electronic structure in Pt-WC/C and Pt/C catalysts is likely different. WC supports could lead to much stronger negative electronic property, which is beneficial for avoiding CO adsorption on the Pt-WC/C catalyst. In the mean time, the electron donating effect generated by WC supports also promotes the ability to oxidize the adsorbed CO-like species on catalysts. In good agreement with experimental results, the theoretical calculation proves the anti-CO-poisoning nature of the Pt-WC/C catalyst, and well explains the origin of the improvement in the electrochemical catalytic performance for effectively accelerating the oxidation of CO to CO(2) in methanol oxidation. (C) 2011 Elsevier B.V. All rights reserved. C1 [Shen, Pei Kang; Meng, Hui] Sun Yat Sen Univ, Sch Phys & Engn, State Key Lab Optoelect Mat & Technol, Guangzhou 510275, Guangdong, Peoples R China. [Shen, Pei Kang; Meng, Hui] Sun Yat Sen Univ, Sch Phys & Engn, Key Lab Low Carbon Chem & Energy Conservat Guangd, Guangzhou 510275, Guangdong, Peoples R China. [Cui, Guofeng] Sun Yat Sen Univ, Sch Chem & Chem Engn, Key Lab Low Carbon Chem & Energy Conservat Guangd, Guangzhou 510275, Guangdong, Peoples R China. [Zhao, Jie] S China Univ Technol, Sch Mech & Automot Engn, Guangzhou 510640, Peoples R China. [Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Shen, PK (reprint author), Sun Yat Sen Univ, Sch Phys & Engn, State Key Lab Optoelect Mat & Technol, Guangzhou 510275, Guangdong, Peoples R China. EM stsspk@mail.sysu.edu.cn; menghui@mail.sysu.edu.cn RI Wu, Gang/E-8536-2010; Shen, Pei Kang/O-2004-2013 OI Wu, Gang/0000-0003-4956-5208; FU National Natural Science Foundation of China [21073241, U1034003, 50801070]; China National 863 Program [2009AA05Z110, 2009AA034400]; Plant Nursery Projects of Guangdong Province [31000-3211602]; Sun Yat-sen University [30000-3126170]; Ministry of Education of China [20100171120022] FX The work was financially supported by the National Natural Science Foundation of China (21073241, U1034003), and the China National 863 Program (2009AA05Z110, 2009AA034400). Dr. G.F. Cui is gratefully acknowledge the financial support by National Natural Science Foundation of China (50801070) and Plant Nursery Projects of Guangdong Province (31000-3211602). Dr. H. Meng thanks the New Teacher Funding of Sun Yat-sen University (30000-3126170), and Doctoral Fund of Ministry of Education of China (20100171120022). NR 25 TC 66 Z9 66 U1 5 U2 94 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2011 VL 196 IS 15 BP 6125 EP 6130 DI 10.1016/j.jpowsour.2011.03.042 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 783GA UT WOS:000292068300018 ER PT J AU Yuan, Y Smith, JA Goenaga, G Liu, DJ Luo, ZP Liu, JB AF Yuan, Yuan Smith, Joshua A. Goenaga, Gabriel Liu, Di-Jia Luo, Zhiping Liu, Jingbo TI Platinum decorated aligned carbon nanotubes: Electrocatalyst for improved performance of proton exchange membrane fuel cells SO JOURNAL OF POWER SOURCES LA English DT Article DE Aligned carbon nanotubes; Platinum nanoparticles; Proton exchange membrane fuel cells; Amphiphilic modification; Nanostructural characterization; Electrochemical performance ID POLYMER ELECTROLYTE MEMBRANE; OXYGEN REDUCTION; RAMAN-SPECTROSCOPY; PARTICLE-SIZE; NANOPARTICLES; DURABILITY; CATALYSTS; GROWTH; PEMFC; DEPOSITION AB This study aims to improve the performance of proton exchange membrane fuel cells (PEMFCs) using carbon nanotubes as scaffolds to support nanocatalyst for power generation over prolonged time periods, compared to the current designs. The carbon nanotubes are prepared using chemical vapor deposition and decorated by platinum nanoparticles (Pt-NPs) using an amphiphilic approach. The PEMFC devices are then constructed using these aligned carbon nanotubes (ACNTs) decorated with Pt-NPs as the cathode. The electrochemical analyses of the PEMFC devices indicate the maximum power density reaches to 860 mW cm(-2) and current density reaches 3200 mA cm(-2) at 0.2 V. respectively, when O-2 is introduced into cathode. Importantly, the Pt usage was decreased to less than 0.2 mg cm(-2), determined by X-ray energy dispersive spectroscopy and X-ray photoelectron spectroscopy as complimentary tools. Electron microscopic analyses are employed to understand the morphology of Pt-ACNT catalyst (with diameter of 4-15 nm and length from 8 to 20 mu m), which affects PEMFC performance and durability. The Pt-ACNT arrays exhibit unique alignment, which allows for rapid gas diffusion and chemisorption on the catalyst surfaces. (C) 2011 Elsevier B.V. All rights reserved. C1 [Liu, Jingbo] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. [Yuan, Yuan] Texas A&I Univ, Dept Environm Engn, Kingsville, TX 78363 USA. [Smith, Joshua A.; Liu, Jingbo] Texas A&I Univ, Dept Chem, Kingsville, TX 78363 USA. [Goenaga, Gabriel] Univ Tennessee, Knoxville, TN 37996 USA. [Liu, Di-Jia] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Luo, Zhiping] Texas A&M Univ, Microscopy & Imaging Ctr, College Stn, TX 77843 USA. [Luo, Zhiping] Texas A&M Univ, Mat Sci & Engn Program, College Stn, TX 77843 USA. [Liu, Jingbo] Univ Tokyo, Dept Mat Sci & Engn, Bunkyo Ku, Tokyo 1138656, Japan. RP Liu, JB (reprint author), Texas A&M Univ, Dept Chem, POB 30012, College Stn, TX 77842 USA. EM yuan.yuan@students.tamuk.edu; joshua.smith@students.tamuk.edu; ggoenaga@utk.edu; djliu@anl.gov; luo@mic.tamu.edu; kfjll00@tamuk.edu RI Liu, Jingbo/B-2140-2012; Luo, Zhiping/C-4435-2014 OI Luo, Zhiping/0000-0002-8264-6424 FU NSF; DOE; DOE Office of Energy Efficiency and Renewable Energy FX The authors are grateful to the National Science Foundation (NSF) Centers of Research Excellence in Science and Technology (NSF CREST, HRD-0734850) at the Texas A&M University-Kingsville, U. S. Department of Energy (DOE), the Office of Science, the Divisions of Educational Programs, Chemical Sciences and Engineering at the Argonne National Laboratory (ANL), and China Scholarship Council. The Faculty and Student Team (FaST) program collectively funded by NSF and DOE is duly acknowledged. The ACNT-MEA research at ANL was supported by DOE Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Program. The assistance and support from Argonne National Fuel Cell group members, the discussion with Dr. Yang from the ANL, Dr. Liang and Dr. Young's from Texas A&M University (TAMU)-College Station and access to the facility at Materials Characterization Center at TAMU are also duly acknowledged. Finally, Dr. Hayes was acknowledged for copy-editing this manuscript. NR 63 TC 23 Z9 23 U1 1 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2011 VL 196 IS 15 BP 6160 EP 6167 DI 10.1016/j.jpowsour.2011.03.026 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 783GA UT WOS:000292068300023 ER PT J AU Hamedani, HA Baniassadi, M Khaleel, M Sun, X Ahzi, S Ruch, D Garmestani, H AF Hamedani, Hoda Amani Baniassadi, Majid Khaleel, M. Sun, Xin Ahzi, S. Ruch, D. Garmestani, H. TI Microstructure, property and processing relation in gradient porous cathode of solid oxide fuel cells using statistical continuum mechanics SO JOURNAL OF POWER SOURCES LA English DT Article DE Solid oxide fuel cells; Functionally graded materials (FGM); Porous cathode; Probability functions; Electrical conductivity ID ELECTRODE-ELECTROLYTE INTERFACE; 2-POINT CORRELATION-FUNCTIONS; FUNCTIONALLY GRADED CATHODES; ELECTRICAL-CONDUCTIVITY; SPRAY-PYROLYSIS; FABRICATION; SOFCS; LA1-XSRXMNO3; PERCOLATION; COMPOSITES AB This paper investigates the relation between microstructure, macroscopic transport properties, and fabrication processing for a gradient porous cathode of solid oxide fuel cells (SOFCs). Functionally graded porous cathode with smooth variations in pore size is composed of lanthanum strontium manganite (LSM) fabricated on yttria stabilized zirconia (YSZ) electrolyte substrate using a multi-step spray pyrolysis (SP) technique at various deposition conditions. Two-dimensional (2D) serial-sections of the gradient porous microstructure obtained by FIB-SEM are fully characterized using statistical correlation functions. Results of statistical analysis of the microstructures revealed that the SP processing technique is capable of generating statistically identical and homogeneous microstructures with smooth gradient in pore size resulting from changing the processing parameters. Strong contrast statistical approach is also used to predict the in-plane temperature dependent effective electrical conductivity of the gradient porous cathode and the results are compared to the experimental data. (C) 2011 Elsevier B.V. All rights reserved. C1 [Hamedani, Hoda Amani; Garmestani, H.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Baniassadi, Majid; Ahzi, S.] Univ Strasbourg, IMFS, F-67000 Strasbourg, France. [Baniassadi, Majid; Ruch, D.] Ctr Rech Publ Henri Tudor, L-4221 Esch Sur Alzette, Luxembourg. [Khaleel, M.; Sun, Xin] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99354 USA. RP Hamedani, HA (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, 771 Ferst Dr NW, Atlanta, GA 30332 USA. EM hamani3@gatech.edu OI khaleel, mohammad/0000-0001-7048-0749 FU Pacific Northwest National Laboratory [DE-AC05-76RL01830] FX Authors would like to acknowledge the funding for this project from Pacific Northwest National Laboratory under Contract DE-AC05-76RL01830. NR 32 TC 11 Z9 11 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2011 VL 196 IS 15 BP 6325 EP 6331 DI 10.1016/j.jpowsour.2011.03.046 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 783GA UT WOS:000292068300047 ER PT J AU Orendorff, CJ Roth, EP Nagasubramanian, G AF Orendorff, Christopher J. Roth, E. Peter Nagasubramanian, Ganesan TI Experimental triggers for internal short circuits in lithium-ion cells SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithiuim-ion cell; Battery safety; Internal short circuit AB Lithium-ion cell field failures due to internal short circuits are a significant concern to the entire lithium-ion cell market from consumer electronics to electric vehicles. While the probability of these failure events occurring is estimated to be very low (1 in 5-10 million), the consequences of a cell failure due to an internal short in a high energy battery system have the potential to be catastrophic. The statistical probability of one of these events is very low and they are difficult to predict and simulate in a laboratory using some external test; which makes cell failure due to an internal short circuit a unique challenge to overcome. Several of the experiments designed to simulate internal shorts have been adopted as testing protocols across the industry; in general, they do not accurately simulate an internal short. This work highlights our efforts to experimentally trigger an internal short circuit in a lithium-ion cell. (C) 2011 Elsevier B.V. All rights reserved. C1 [Orendorff, Christopher J.; Roth, E. Peter; Nagasubramanian, Ganesan] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Orendorff, CJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM corendo@sandia.gov FU DOE Freedom-CAR and Vehicle Technologies Office; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors gratefully acknowledge M. J. Russell and L E. Davis for their technical contributions with cell building and testing. This work was performed under the auspices of DOE Freedom-CAR and Vehicle Technologies Office. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 14 TC 21 Z9 23 U1 4 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2011 VL 196 IS 15 BP 6554 EP 6558 DI 10.1016/j.jpowsour.2011.03.035 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 783GA UT WOS:000292068300078 ER PT J AU Walsh, S Anderson, K Hathaway, J Pulsipher, B AF Walsh, Stephen Anderson, Kevin Hathaway, John Pulsipher, Brent TI A Bayesian approach to monitoring and assessing unexploded ordnance remediation progress from munitions testing ranges SO STOCHASTIC ENVIRONMENTAL RESEARCH AND RISK ASSESSMENT LA English DT Article DE UXO remediation; Bayesian statistics; Bayes odds; Monte Carlo ID SITES AB We present a statistical methodology which aims to monitor and assess the progress of unexploded ordnance remediation. We explicitly quantify the probability that each buried sensor-identified anomaly is not a target of interest conditional on the information gleaned from anomalies which have been dug and identified. We provide a measure of confidence that the anomalies which remain onsite after remediation are not unexploded ordnance-this measure of confidence is gleaned through Monte Carlo methods. The methodology is iterative in that, at any point in the remediation process, we can assess remediation progress and compute the probability that no targets of interest remain given the available dig information. C1 [Walsh, Stephen; Anderson, Kevin; Hathaway, John; Pulsipher, Brent] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Pulsipher, B (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM brent.pulsipher@pnl.gov OI Hathaway, John/0000-0002-1574-0832; Anderson, Kevin/0000-0001-5613-5893 FU Environmental Security Technology Certification Program (ESTCP) FX Funding provided by Environmental Security Technology Certification Program (ESTCP). We would like to thank the helpful comments of the reviewers which led to significant improvements in the article. NR 17 TC 2 Z9 2 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1436-3240 EI 1436-3259 J9 STOCH ENV RES RISK A JI Stoch. Environ. Res. Risk Assess. PD AUG PY 2011 VL 25 IS 6 BP 805 EP 814 DI 10.1007/s00477-010-0447-3 PG 10 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences; Statistics & Probability; Water Resources SC Engineering; Environmental Sciences & Ecology; Mathematics; Water Resources GA 782PN UT WOS:000292021700006 ER PT J AU King, A AF King, Alex TI JOIN THE DISCUSSION, OR CONTACT US SO TECHNOLOGY REVIEW LA English DT Letter C1 Ames Lab, Ames, IA USA. RP King, A (reprint author), Ames Lab, Ames, IA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU TECHNOL REV PI CAMBRIDGE PA 1 MAIN ST, 13 FLR, CAMBRIDGE, MA 02142 USA SN 1099-274X J9 TECHNOL REV JI Technol. Rev. PD AUG PY 2011 VL 114 IS 4 BP 6 EP 6 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 784RW UT WOS:000292176900002 ER PT J AU Bansal, DG Streator, JL AF Bansal, Dinesh G. Streator, Jeffrey L. TI Design curves for temperature rise in sliding elliptical contacts (vol 42, pg 1638, 2009) SO TRIBOLOGY INTERNATIONAL LA English DT Correction C1 [Bansal, Dinesh G.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Streator, Jeffrey L.] Georgia Inst Technol, GW Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Bansal, DG (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM bansaldg@ornl.gov RI Bansal, Dinesh/F-2255-2010 OI Bansal, Dinesh/0000-0001-8044-6341 NR 1 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 0301-679X J9 TRIBOL INT JI Tribol. Int. PD AUG PY 2011 VL 44 IS 9 BP 1087 EP 1088 DI 10.1016/j.triboint.2011.03.023 PG 2 WC Engineering, Mechanical SC Engineering GA 786ZL UT WOS:000292346300018 ER PT J AU Wang, W Kang, L Wei, H Arora, R Lee, YY AF Wang, Wei Kang, Li Wei, Hui Arora, Rajeev Lee, Y. Y. TI Study on the Decreased Sugar Yield in Enzymatic Hydrolysis of Cellulosic Substrate at High Solid Loading SO APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY LA English DT Article DE Biomass; Enzymatic hydrolysis; High substrate concentration; Cellulase adsorption; Binding capacity ID TRICHODERMA-REESEI CELLULASE; CELLOBIOSE HYDROLYSIS; VIRIDE CELLULASE; INHIBITION; ADSORPTION; KINETICS; PARAMETERS; ENZYMES AB Current technology for conversion of biomass to ethanol is an enzyme-based biochemical process. In bioethanol production, achieving high sugar yield at high solid loading in enzymatic hydrolysis step is important from both technical and economic viewpoints. Enzymatic hydrolysis of cellulosic substrates is affected by many parameters, including an unexplained behavior that the glucan digestibility of substrates by cellulase decreased under high solid loadings. A comprehensive study was conducted to investigate this phenomenon by using Spezyme CP and Avicel as model cellulase and cellulose substrate, respectively. The hydrolytic properties of the cellulase under different substrate concentrations at a fixed enzyme-to-substrate ratio were characterized. The results indicate that decreased sugar yield is neither due to the loss of enzyme activity at a high substrate concentration nor due to the higher end-product inhibition. The cellulase adsorption kinetics and isotherm studies indicated that a decline in the binding capacity of cellulase may explain the long-observed but little-understood phenomenon of a lower substrate digestibility with increased substrate concentration. The mechanism how the enzyme adsorption properties changed at high substrate concentration was also discussed in the context of exploring the improvement of the cellulase-binding capacity at high substrate loading. C1 [Wang, Wei; Kang, Li; Lee, Y. Y.] Auburn Univ, Dept Chem Engn, Auburn, AL 36849 USA. [Wei, Hui; Arora, Rajeev] Iowa State Univ, Dept Hort, Ames, IA 50011 USA. RP Wang, W (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM wzw0002@auburn.edu FU Masada Oxynol, LLC; Alabama Center for Pulp and Bioresource Engineering; Laboratory of Biofuels and Biomaterials, Auburn University FX The authors wish to acknowledge the financial support provided by Masada Oxynol, LLC, Alabama Center for Pulp and Bioresource Engineering, Laboratory of Biofuels and Biomaterials, Auburn University. NR 19 TC 48 Z9 48 U1 0 U2 29 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0273-2289 J9 APPL BIOCHEM BIOTECH JI Appl. Biochem. Biotechnol. PD AUG PY 2011 VL 164 IS 7 BP 1139 EP 1149 DI 10.1007/s12010-011-9200-8 PG 11 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 779TK UT WOS:000291804900013 PM 21340535 ER PT J AU Ren, WJ Cebon, D Arnold, SM AF Ren, Weiju Cebon, David Arnold, Steven M. TI Effective Materials Property Information Management for the 21st Century SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article AB This paper discusses key principles for the development of material property information management software systems. The growing need for automated material information management is fueled, in part, by the demand for higher efficiency in material testing, product design, and engineering analysis. But equally important, organizations are being driven by the need for consistency, quality, and traceability of data, as well as control of access to proprietary or sensitive information. Further, the use of increasingly sophisticated nonlinear, anisotropic, and multiscale engineering analyses requires both processing of large volumes of test data for the development of constitutive models and complex material data input for computer-aided engineering software. Finally, the globalization of economy often generates great needs for sharing a single "gold source" of material information between members of global engineering teams in extended supply chains. Fortunately, material property management systems have kept pace with the growing user demands and have evolved into versatile data management systems that can be customized to specific user needs. The more sophisticated of these provide facilities for (i) data management functions such as access, version, and quality controls; (ii) a wide range of data import, export, and analysis capabilities; (iii) data "pedigree" traceability mechanisms; (iv) data searching, reporting, and viewing tools; and (v) access to the information via a wide range of interfaces. In this paper, the important requirements for advanced material data management systems, future challenges, and opportunities, such as automated error checking, data quality characterization, identification of gaps in data sets, as well as functionalities and business models to fuel database growth and maintenance are discussed. [DOI: 10.1115/1.4002925] C1 [Ren, Weiju] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Cebon, David] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England. [Arnold, Steven M.] NASA, Struct & Mat Div, Glenn Res Ctr, Cleveland, OH 44135 USA. RP Ren, WJ (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, MS-6155,Bldg 4500-S, Oak Ridge, TN 37831 USA. EM renw@ornl.gov; dc@eng.cam.ac.uk; steven.m.arnold@nasa.gov FU U.S. Department of Energy, Office of Nuclear Energy Science and Technology [DE-AC05-00OR22725] FX W.R. thanks the U.S. Department of Energy, Office of Nuclear Energy Science and Technology under Contract No. DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed by UT-Battelle, LLC. All authors are grateful to their colleagues in the MDMC for many useful discussions on all the key issues addressed in this paper. NR 4 TC 0 Z9 0 U1 2 U2 9 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-9930 J9 J PRESS VESS-T ASME JI J. Press. Vessel Technol.-Trans. ASME PD AUG PY 2011 VL 133 IS 4 AR 044002 DI 10.1115/1.4002925 PG 8 WC Engineering, Mechanical SC Engineering GA 774RK UT WOS:000291403600016 ER PT J AU Cordill, MJ Moody, NR Jungk, JM Kennedy, MS Mook, WM Prasad, SV Bahr, DF Gerberich, WW AF Cordill, M. J. Moody, N. R. Jungk, J. M. Kennedy, M. S. Mook, W. M. Prasad, S. V. Bahr, D. F. Gerberich, W. W. TI Probing the Strain Hardening Response of Small Wear Volumes with Nanoindentation SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID MECHANICAL-PROPERTIES; SLIDING BEHAVIOR; LIGA NICKEL; HARDNESS; INDENTATION; PLASTICITY; SURFACES; SYSTEMS; FILMS AB In order to characterize the wear and related mechanical behavior of materials from small volumes, a program employing nanoscratch and nanoindentation was performed. Nanoscratch techniques were used to generate square wear patterns with varying degrees of shear strain followed by nanoindentation tests to measure the mechanical properties within the deformation area. Results show a systematic increase in hardness with both the applied load and number of nanoscratch passes. An analytical approach was used to determine the stress-strain response and strain hardening behavior of electroformed nickel. The strain hardening exponent determined from this method follows the work hardening behavior established from previous tensile tests, supporting the use of a nanomechanics-based approach for evaluating the mechanical properties of wear-tested material. C1 [Cordill, M. J.; Jungk, J. M.; Mook, W. M.; Gerberich, W. W.] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. [Moody, N. R.] Sandia Natl Labs, Livermore, CA 94550 USA. [Kennedy, M. S.; Bahr, D. F.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Cordill, MJ (reprint author), Univ Leoben, Dept Mat Phys, A-8700 Leoben, Austria. EM megan.cordill@oeaw.ac.at RI Bahr, David/A-6521-2012; OI Bahr, David/0000-0003-2893-967X; Cordill, Megan/0000-0003-1142-8312 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 No. DE-AC04-94AL85000. NR 29 TC 1 Z9 1 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2011 VL 42A IS 8 BP 2226 EP 2232 DI 10.1007/s11661-011-0629-8 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 778LA UT WOS:000291704200011 ER PT J AU Basilio, LI Warne, LK Johnson, WA Langston, WL Sinclair, MB AF Basilio, Lorena I. Warne, Larry K. Johnson, William A. Langston, William L. Sinclair, Michael B. TI AN INFRARED NEGATIVE-INDEX LAYER BASED ON SINGLE-SPECIES PARTICLES IN A POLARITONIC HOST SO MICROWAVE AND OPTICAL TECHNOLOGY LETTERS LA English DT Article DE metamaterials; infrared; negative index; effective media ID REFRACTIVE-INDEX; METAMATERIALS; PERMITTIVITY; PERMEABILITY; FREQUENCY; SPHERES AB For this article, a simple design procedure based on effective-media analysis (including higher-order multipoles), simple optimization, full-wave numerical simulations, and a postprocessing retrieval algorithm is used to synthesize a negative-index metamaterial based on a single-species cubic array immersed in a polaritonic host. In order to verify the predicted performance based on effective media and ultimately validate the design methodology, a full-wave massively-parallel numerical simulation for a "bulk'' (5 layer thick) sample is performed. Published 2011 Wiley Periodicals, Inc.(dagger) Microwave Opt Technol Lett 53: 1736-1740, 2011; View this article online at wileyonlinelibrary.com. DOI 10.1002/mop.26159 C1 [Basilio, Lorena I.; Warne, Larry K.; Johnson, William A.; Langston, William L.; Sinclair, Michael B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Basilio, LI (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM libasil@sandia.gov NR 13 TC 3 Z9 3 U1 1 U2 5 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0895-2477 J9 MICROW OPT TECHN LET JI Microw. Opt. Technol. Lett. PD AUG PY 2011 VL 53 IS 8 BP 1736 EP 1740 DI 10.1002/mop.26159 PG 6 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA 777HD UT WOS:000291605600014 ER PT J AU Makowski, L Gore, D Mandava, S Minh, D Park, S Rodi, DJ Fischetti, RF AF Makowski, Lee Gore, David Mandava, Suneeta Minh, David Park, Sanghyun Rodi, Diane J. Fischetti, Robert F. TI X-ray Solution Scattering Studies of the Structural Diversity Intrinsic to Protein Ensembles SO BIOPOLYMERS LA English DT Article DE wide-angle X-ray solution scattering; protein fluctuations; protein dynamics ID VIRUS TYPE-1 PROTEASE; CONFORMATIONAL-CHANGES; MOLECULAR-DYNAMICS; FLEXIBLE PROTEINS; ENERGY LANDSCAPES; DRUG-RESISTANCE; HIV-1 PROTEASE; MOTIONS; FLEXIBILITY; TRANSITION AB It is becoming increasingly clear that characterization of the protein ensemble-the collection of all conformations of which the protein is capable-will be a critical step in developing a full understanding of the linkage between structure, dynamics, and function. X-ray solution scattering in the small angle (SAXS) and wide-angle (WAXS) regimes represents an important new window to exploring the behavior of ensembles. The characteristics of the ensemble express themselves in X-ray solution scattering data in predictable ways. Here we present an overview of the effect that structural diversity intrinsic to protein ensembles has on scattering data. We then demonstrate the observation of these effects in scattering from four molecular systems; myoglobin; ubiquitin; alcohol dehydrogenase; and HIV protease; and demonstrate the modulation of these ensembles by ligand binding, mutation, and environmental factors. The observations are analyzed quantitatively in terms of the average spatial extent of structural fluctuations occurring within these proteins under different experimental conditions. The insights which these analyses support are discussed in terms of the function of the various proteins. (C) 2011 Wiley Periodicals, Inc. Biopolymers 95: 531-542, 2011. C1 [Makowski, Lee] Northeastern Univ, Dept Elect & Comp Engn, Boston, MA 02115 USA. [Makowski, Lee] Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA. [Gore, David] IL Inst Technol, Biol Chem & Phys Sci Dept, Chicago, IL 60616 USA. [Mandava, Suneeta; Minh, David; Rodi, Diane J.; Fischetti, Robert F.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Park, Sanghyun] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Makowski, L (reprint author), Northeastern Univ, Dept Elect & Comp Engn, Boston, MA 02115 USA. EM makowski@ece.neu.edu RI ID, BioCAT/D-2459-2012 FU NIH [R01GM- 085648]; BioCAT, a National Institutes of Health-supported Research Center [RR-08630]; U.S. Department of Energy (DOE) Office of Science [DE-AC02-06CH11357] FX Contract grant sponsor: NIH; Contract grant number: R01GM- 085648 (to L. M.); Contract grant sponsor: BioCAT, a National Institutes of Health-supported Research Center; Contract grant number: RR-08630; Contract grant sponsor: U.S. Department of Energy (DOE) Office of Science; Contract grant number: DE-AC02-06CH11357 NR 34 TC 23 Z9 23 U1 0 U2 17 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PD AUG PY 2011 VL 95 IS 8 SI SI BP 531 EP 542 DI 10.1002/bip.21631 PG 12 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 776MU UT WOS:000291540100004 PM 21462170 ER PT J AU Kathuria, SV Guo, L Graceffa, R Barrea, R Nobrega, RP Matthews, CR Irving, TC Bilsel, O AF Kathuria, Sagar V. Guo, Liang Graceffa, Rita Barrea, Raul Nobrega, R. Paul Matthews, C. Robert Irving, Thomas C. Bilsel, Osman TI Minireview: Structural Insights into Early Folding Events Using Continuous-Flow Time-Resolved Small-Angle X-Ray Scattering SO BIOPOLYMERS LA English DT Review DE small-angle X-ray scattering; protein folding; microsecond mixing ID PARAMAGNETIC RELAXATION ENHANCEMENT; INTRINSICALLY DISORDERED PROTEINS; SINGLE-MOLECULE FRET; BARREL PROTEIN; DIHYDROFOLATE-REDUCTASE; TRYPTOPHAN SYNTHASE; UNFOLDED PROTEINS; ESCHERICHIA-COLI; ALPHA-SUBUNIT; CYTOCHROME-C AB Small-angle X-ray scattering (SAXS) is a powerful method for obtaining quantitative structural information on the size and shape of proteins, and it is increasingly used in kinetic studies of folding and association reactions. In this minireview, we discuss recent developments in using SAXS to obtain structural information on the unfolded ensemble and early folding intermediates of proteins using continuous-flow mixing devices. Interfacing of these micromachined devices to SAXS beamlines has allowed access to the microsecond time regime. The experimental constraints in implementation of turbulence and laminar flow-based mixers with SAXS detection and a comparison of the two approaches are presented. Current improvements and future prospects of microsecond time-resolved SAXS and the synergy with ab initio structure prediction and molecular dynamics simulations are discussed. (C) 2011 Wiley Periodicals, Inc. Biopolymers 95: 550-558, 2011. C1 [Kathuria, Sagar V.; Nobrega, R. Paul; Matthews, C. Robert; Bilsel, Osman] Univ Massachusetts, Sch Med, Dept Mol Pharmacol & Biochem, Worcester, MA 01605 USA. [Guo, Liang; Graceffa, Rita; Barrea, Raul; Irving, Thomas C.] Argonne Natl Lab, Adv Photon Source, BioCAT, Argonne, IL 60439 USA. RP Bilsel, O (reprint author), Univ Massachusetts, Sch Med, Dept Mol Pharmacol & Biochem, Worcester, MA 01605 USA. EM osman.bilsel@umassmed.edu RI ID, BioCAT/D-2459-2012; Kathuria, Sagar/A-7473-2008; Graceffa, Rita/F-4073-2015 OI Graceffa, Rita/0000-0002-8815-8640 FU NIH [GM23303, GM54836]; NSF [MCB0721312]; U.S. Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357]; BioCAT (National Institutes of Health-supported Research Center) [RR-08630]; U.S. DOE [DE-AC02-06CH11357] FX Contract grant sponsor: NIH; Contract grant numbers: GM23303, GM54836; Contract grant sponsor: NSF; Contract grant number: MCB0721312; Contract grant sponsor: U.S. Department of Energy, Basic Energy Sciences, Office of Science; Contract grant number: DE-AC02-06CH11357; Contract grant sponsor: BioCAT (National Institutes of Health-supported Research Center); Contract grant number: RR-08630; We are indebted to Munehito Arai, Elena Kondrashkina and Can Kayatekin for past collaborations and development of continuous-flow SAXS at BioCAT. We thank Tobin Sosnick, Lois Pollack, Lin Yang, Per Harbury, Jill Zitzewitz and Can Kayatekin for helpful discussions and sharing of unpublished results. 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. BioCAT is a National Institutes of Health-supported Research Center RR-08630. The content is solely the responsibility of the authors and does not necessarily reflect the official views of the National Center for Research Resources or the National Institutes of Health. NR 66 TC 26 Z9 27 U1 1 U2 31 PU WILEY PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3525 EI 1097-0282 J9 BIOPOLYMERS JI Biopolymers PD AUG PY 2011 VL 95 IS 8 SI SI BP 550 EP 558 DI 10.1002/bip.21628 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 776MU UT WOS:000291540100006 PM 21442608 ER PT J AU Rambo, RP Tainer, JA AF Rambo, Robert P. Tainer, John A. TI Characterizing Flexible and Intrinsically Unstructured Biological Macromolecules by SAS Using the Porod-Debye Law SO BIOPOLYMERS LA English DT Article DE SAXS; flexibility; unstructured ID X-RAY-SCATTERING; SMALL-ANGLE SCATTERING; STRAND-BREAK REPAIR; SUPEROXIDE-DISMUTASE; STRUCTURAL DYNAMICS; SOLVENT CONTENT; DNA-REPAIR; PROTEIN; DOMAIN; INSIGHTS AB Unstructured proteins, RNA or DNA components provide functionally important flexibility that is key to many macromolecular assemblies throughout cell biology. As objective, quantitative experimental measures of flexibility and disorder in solution are limited, small angle scattering (SAS), and in particular small angle Xray scattering (SAXS), provides a critical technology to assess macromolecular flexibility as well as shape and assembly. Here, we consider the Porod-Debye law as a powerful tool for detecting biopolymer flexibility in SAS experiments. We show that the Porod-Debye region fundamentally describes the nature of the scattering intensity decay by capturing the information needed for distinguishing between folded and flexible particles. Particularly for comparative SAS experiments, application of the law, as described here, can distinguish between discrete conformational changes and localized flexibility relevant to molecular recognition and interaction networks. This approach aids insightful analyses of fully and partly flexible macromolecules that is more robust and conclusive than traditional Kratky analyses. Furthermore, we demonstrate for prototypic SAXS data that the ability to calculate particle density by the Porod-Debye criteria, as shown here, provides an objective quality assurance parameter that may prove of general use for SAXS modeling and validation. (C) 2011 Wiley Periodicals, Inc. Biopolymers 95: 559-571, 2011. C1 [Rambo, Robert P.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Div Life Sci, Berkeley, CA 94720 USA. [Tainer, John A.] Scripps Res Inst, Dept Mol Biol, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. RP Tainer, JA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Div Life Sci, Berkeley, CA 94720 USA. EM jat@scripps.edu FU United States Department of Energy [DE-AC02-05CH11231]; Department of Energy, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Institutes of Health (NIH) [CA92584] FX Contract grant sponsor: United States Department of Energy program Integrated Diffraction Analysis Technologies; Contract grant number: DE-AC02-05CH11231; Contract grant sponsor: ENIGMA Program of the Department of Energy, Office of Biological and Environmental Research; Contract grant number: DE-AC02-05CH11231; Contract grant sponsor: National Institutes of Health (NIH) Structural Cell Biology of DNA Repair Machines; Contract grant number: CA92584 NR 60 TC 158 Z9 159 U1 6 U2 49 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PD AUG PY 2011 VL 95 IS 8 SI SI BP 559 EP 571 DI 10.1002/bip.21638 PG 13 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 776MU UT WOS:000291540100007 PM 21509745 ER PT J AU Wang, Y Chen, KS AF Wang, Yun Chen, Ken S. TI Elucidating two-phase transport in a polymer electrolyte fuel cell, Part 1: Characterizing flow regimes with a dimension less group SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE Polymer electrolyte fuel cells; Heat transfer; Transport processes; Mathematical modeling; Multiphase flow; Damkohler number ID GAS-DIFFUSION LAYER; WATER TRANSPORT; SINGLE-LAYER; MODEL; CATHODE; MEDIA; MULTICOMPONENT; FIELDS; PEMFC; PEFC AB This paper explores the through-/in-plane characteristics of water transport in the cathode gas diffusion layer (GDL) of a polymer electrolyte fuel cell (PEFC). Theoretical analysis is performed on the non-isothermal two-phase flow under flow channels. A dimensionless group Da (Damkohler number for PEF Coperation), defined as the ratio of water generation rate to water vapor-phase removal rate, is formulated to characterize the flow regimes in a PEFC. This group, lumping geometrical parameters and physical properties, compares the water vapor-phase removal capability (via water diffusion and holding capacity) with the rate of water production by the oxygen reduction reaction. We find that this dimensionless group can be used to characterize the non-isothermal, two-phase phenomena: when Da -> 0, the fuel cell is subjected to single-phase operation; while as Da ->infinity we have full two-phase operation. A more precise expression is explored for the dimensionless group at the channel central line, i. e. Da(0): when Da(0) > 1 the entire cathode GDL-CL (catalystlayer) interface is in two-phase region, whereas part of the interface is free of liquid water for Da(0) < 1. The latter scenario is the concept that this paper proposes for improving fuel cell water management: the consequent co-occurrence of single- and two-phase flows in the in-plane direction at Da(0) < 1 is beneficial to avoid severe dryout and flooding. A two-phase transport model, describing the water and heat transport on the PEFC cathode side, is employed to perform a two-dimensional numerical study. Detailed liquid and temperature distributions are displayed. Simulation predictions are in reasonably good agreement with the dimensionless-group analysis. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Wang, Yun] Univ Calif Irvine, RERL, Irvine, CA 92697 USA. [Wang, Yun] Univ Calif Irvine, Dept Mech & Aerosp Engn, Natl Fuel Cell Res Ctr, Irvine, CA 92697 USA. [Chen, Ken S.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. RP Wang, Y (reprint author), Univ Calif Irvine, RERL, Irvine, CA 92697 USA. EM yunw@uci.edu FU Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Funding support of this work was provided by Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 32 TC 7 Z9 7 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0009-2509 J9 CHEM ENG SCI JI Chem. Eng. Sci. PD AUG 1 PY 2011 VL 66 IS 15 BP 3557 EP 3567 DI 10.1016/j.ces.2011.04.016 PG 11 WC Engineering, Chemical SC Engineering GA 775QE UT WOS:000291476200011 ER PT J AU Demmie, PN Ostoja-Starzewski, M AF Demmie, Paul N. Ostoja-Starzewski, Martin TI Waves in Fractal Media SO JOURNAL OF ELASTICITY LA English DT Article DE Fractals; Micromechanical theories; Elastic materials; Waves ID EQUATIONS; SOLIDS AB The term fractal was coined by BenoIt Mandelbrot to denote an object that is broken or fractured in space or time. Fractals provide appropriate models for many media for some finite range of length scales with lower and upper cutoffs. Fractal geometric structures with cutoffs are called pre-fractals. By fractal media, we mean media with pre-fractal geometric structures. The basis of this study is the recently formulated extension of continuum thermomechanics to such media. The continuum theory is based on dimensional regularization, in which we employ fractional integrals to state global balance laws. The global forms of governing equations are cast in forms involving conventional (integer-order) integrals, while the local forms are expressed through partial differential equations with derivatives of integer order. Using Hamilton's principle, we derive the equations of motion of a fractal elastic solid under finite strains. Next, we consider one-dimensional models and obtain equations governing nonlinear waves in such a solid. Finally, we study shock fronts in linear viscoelastic solids under small strains. In all the cases, the derived equations for fractal media depend explicitly on fractal dimensions and reduce to conventional forms for continuous media with Euclidean geometries upon setting the dimensions to integers. C1 [Ostoja-Starzewski, Martin] Univ Illinois, Inst Condensed Matter Theory, Dept Mech Sci & Engn, Urbana, IL 61801 USA. [Ostoja-Starzewski, Martin] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA. [Demmie, Paul N.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ostoja-Starzewski, M (reprint author), Univ Illinois, Inst Condensed Matter Theory, Dept Mech Sci & Engn, Urbana, IL 61801 USA. EM pndemmi@sandia.gov; martinos@illinois.edu FU United States Department of Energy [DE-AC04-94AL85000]; Sandia-DTRA [HDTRA1-08-10-BRCWMD]; NSF [CMMI-1030940] FX Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000.; Comments of an anonymous referee helped improve this paper. This research was made possible by the support from Sandia-DTRA (grant HDTRA1-08-10-BRCWMD) and the NSF (grant CMMI-1030940). NR 25 TC 23 Z9 23 U1 1 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0374-3535 J9 J ELASTICITY JI J. Elast. PD AUG PY 2011 VL 104 IS 1-2 SI SI BP 187 EP 204 DI 10.1007/s10659-011-9333-6 PG 18 WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 774DO UT WOS:000291361700012 ER PT J AU Gupta, A Steigmann, DJ Stolken, JS AF Gupta, A. Steigmann, D. J. Stoelken, J. S. TI Aspects of the Phenomenological Theory of Elastic-Plastic Deformation SO JOURNAL OF ELASTICITY LA English DT Article DE Elasticity; Crystalline solids; Rate-independent plasticity ID STRAIN-GRADIENT PLASTICITY; DISLOCATIONS; STRESS; BODIES; SHEAR AB Several issues pertaining to the phenomenological description of rate-independent plasticity in crystalline solids are discussed. These include energy dissipation, the specification of initial plastic deformation, material symmetry and the modeling of scale-dependent response. C1 [Steigmann, D. J.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Stoelken, J. S.] Lawrence Livermore Natl Lab, Dept Mech Engn, Livermore, CA 94550 USA. [Gupta, A.] Indian Inst Technol, Dept Mech Engn, Kanpur 208016, Uttar Pradesh, India. RP Steigmann, DJ (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM steigman@me.berkeley.edu FU US Department of Energy by the Lawrence Livermore National Laboratory [W-7405-Eng-48] FX This work was performed under the auspices of the US Department of Energy by the Lawrence Livermore National Laboratory, under contract no. W-7405-Eng-48. Part of this work was initiated during the tenure of a Lawrence Scholarship held by A. Gupta from 2006 through 2008 in support of graduate studies at the University of California. NR 35 TC 17 Z9 17 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0374-3535 J9 J ELASTICITY JI J. Elast. PD AUG PY 2011 VL 104 IS 1-2 SI SI BP 249 EP 266 DI 10.1007/s10659-010-9288-z PG 18 WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 774DO UT WOS:000291361700015 ER PT J AU Zador, J Taatjes, CA Fernandes, RX AF Zador, Judit Taatjes, Craig A. Fernandes, Ravi X. TI Kinetics of elementary reactions in low-temperature autoignition chemistry SO PROGRESS IN ENERGY AND COMBUSTION SCIENCE LA English DT Review DE Chemical kinetics; Theoretical kinetics; Low-temperature combustion; Autoignition; Quantum chemistry; Biofuels; Peroxy radicals; Hydroperoxyalkyl radicals; Hydrocarbon oxidation ID TRANSITION-STATE THEORY; COLLISIONAL ENERGY-TRANSFER; GAS-PHASE REACTIONS; RAPID COMPRESSION MACHINE; HYDROGEN-ATOM ABSTRACTION; PLUS O-2 REACTIONS; TERT-BUTYL ETHER; PHOTOLYTICALLY INITIATED OXIDATION; DENSITY-FUNCTIONAL GEOMETRIES; RESOLVED MASS-SPECTROMETRY AB Advanced low-temperature combustion concepts that rely on compression ignition have placed new technological demands on the modeling of low-temperature oxidation in general and particularly on fuel effects in autoignition. Furthermore, the increasing use of alternative and non-traditional fuels presents new challenges for combustion modeling and demands accurate rate coefficients and branching fractions for a wider range of reactants. New experimental techniques, as well as modern variants on venerable methods, have recently been employed to investigate the fundamental reactions underlying autoignition in great detail. At the same time, improvements in theoretical kinetics and quantum chemistry have made theory an indispensible partner in reaction kinetics, particularly for complex reaction systems like the alkyl + O-2 reactions. This review concentrates on recent developments in the study of elementary reaction kinetics in relation to the modeling and prediction of low-temperature combustion and autoignition, with specific focus placed on the emerging understanding of the critical alkylperoxy and hydroperoxyalkyl reactions. We especially highlight the power of cooperative theoretical and experimental efforts in establishing a rigorous mechanistic understanding of these fundamental reactions. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Zador, Judit; Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Fernandes, Ravi X.] Rhein Westfal TH Aachen, Shock Wave Lab, D-52056 Aachen, Germany. RP Taatjes, CA (reprint author), Sandia Natl Labs, Combust Res Facil, Mail Stop 9055, Livermore, CA 94551 USA. EM cataatj@sandia.gov RI Zador, Judit/A-7613-2008 OI Zador, Judit/0000-0002-9123-8238 FU Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy; United States Department of Energy [DE-AC04-94AL85000]; Excellence Initiative by the German federal and state governments to promote science and research at German universities FX This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy, under contract DE-AC04-94AL85000. R.X.F. thanks the Cluster of Excellence "Tailor-Made Fuels from Biomass", which is funded by the Excellence Initiative by the German federal and state governments to promote science and research at German universities. The authors thank Dr. Stephen J. Klippenstein (Argonne National Laboratory), Dr. James A. Miller and Dr. Ahren W. Jasper (Sandia National Laboratories) for helpful discussions and thank Dr. Kentaro Tsuchiya (AIST) for providing numerical values of the calculated energies from references [169,170]. NR 518 TC 185 Z9 189 U1 22 U2 237 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 AUG PY 2011 VL 37 IS 4 BP 371 EP 421 DI 10.1016/j.pecs.2010.06.006 PG 51 WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 776BU UT WOS:000291510300001 ER PT J AU Watts, J Hilmas, G Fahrenholtz, WG Brown, D Clausen, B AF Watts, Jeremy Hilmas, Greg Fahrenholtz, William G. Brown, Don Clausen, Bjorn TI Measurement of thermal residual stresses in ZrB2-SiC composites SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY LA English DT Article DE Borides; SiC; Residual stress; Composites; Neutron diffraction ID DIBORIDE-SILICON CARBIDE; MICRO-RAMAN SPECTROSCOPY; NEUTRON-DIFFRACTION; MECHANICAL-PROPERTIES; PRESSURE-DEPENDENCE; ELASTIC-CONSTANTS; OXIDATION; CERAMICS; TEMPERATURE; ZIRCONIUM AB Neutron diffraction, Raman spectroscopy, and x-ray diffraction were employed to measure the stresses generated in the ZrB2 matrix and SiC dispersed particulate phase in ZrB2-30 vol% SiC composites produced by hot pressing at 1900 degrees C. Neutron diffraction measurements indicated that stresses begin to accumulate at similar to 1400 degrees C during cooling from the processing temperature and increased to 880 MPa compressive in the SiC phase and 450 MPa tensile in the ZrB2 phase at room temperature. Stresses measured via Raman spectroscopy revealed the stress in SiC particles on the surface of the composite was similar to 390 MPa compressive, which is similar to 40% of that measured in the bulk by neutron diffraction. Grazing incidence x-ray diffraction was performed to further characterize the stress state in SiC particles near the surface. Using this technique, an average compressive stress of 350 MPa was measured in the SiC phase, which is in good agreement with that measured by Raman spectroscopy. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Watts, Jeremy; Hilmas, Greg; Fahrenholtz, William G.] Missouri Univ Sci & Technol, Rolla, MO 65409 USA. [Brown, Don; Clausen, Bjorn] Los Alamos Natl Lab, Lujan Ctr, Los Alamos, NM 87545 USA. RP Watts, J (reprint author), Missouri Univ Sci & Technol, Rolla, MO 65409 USA. EM jwatts@mst.edu RI Clausen, Bjorn/B-3618-2015; OI Clausen, Bjorn/0000-0003-3906-846X; Fahrenholtz, William/0000-0002-8497-0092 FU Office of Basic Energy Sciences (DOE) [DE AC52 06NA25396]; High Temperature Aerospace Materials Program [FA9550-09-1-0168] FX This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Office of Basic Energy Sciences (DOE).; Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE AC52 06NA25396. Research at Missouri S&T was supported by the High Temperature Aerospace Materials Program (Drs. Joan Fuller and Ali Sayir, program managers) in the Air Force Office of Scientific Research through grant FA9550-09-1-0168. NR 46 TC 31 Z9 31 U1 6 U2 42 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-2219 EI 1873-619X J9 J EUR CERAM SOC JI J. Eur. Ceram. Soc. PD AUG PY 2011 VL 31 IS 9 BP 1811 EP 1820 DI 10.1016/j.jeurceramsoc.2011.03.024 PG 10 WC Materials Science, Ceramics SC Materials Science GA 771FU UT WOS:000291143400032 ER PT J AU Shah, AB Ramasse, QM Wen, JG Bhattacharya, A Zuo, JM AF Shah, A. B. Ramasse, Q. M. Wen, J. G. Bhattacharya, A. Zuo, J. M. TI Practical spatial resolution of electron energy loss spectroscopy in aberration corrected scanning transmission electron microscopy SO MICRON LA English DT Review DE Electron energy loss spectroscopy; Scanning transmission electron microscopy; Oxide interfaces; Superlattice; Aberration correction ID ATOMIC-SCALE; CORE-LOSS; STEM; SUPERLATTICES; FUTURE; LIMITS AB The resolution of electron energy loss spectroscopy (EELS) is limited by delocalization of inelastic electron scattering rather than probe size in an aberration corrected scanning transmission electron microscope (STEM). In this study, we present an experimental quantification of EELS spatial resolution using chemically modulated 2 x (LaMnO(3))/2 x (SrTiO(3)) and 2 X (SrVO(3))/2 x (SrTiO(3)) superlattices by measuring the full width at half maxima (FWHM) of integrated Ti M(2,3), Ti L(2,3), V L(2,3), Mn L(2,3), La N(4,5), La N(2,3) La M(4.5) and Sr L(3) edges over the superlattices. The EELS signals recorded using large collection angles are peaked at atomic columns. The FWHM of the EELS profile, obtained by curve-fitting, reveals a systematic trend with the energy loss for the Ti, V, and Mn edges. However, the experimental FWHM of the Sr and La edges deviates significantly from the observed experimental tendency. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Shah, A. B.; Zuo, J. M.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Shah, A. B.; Wen, J. G.; Zuo, J. M.] Univ Illinois, Fredrick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Ramasse, Q. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Bhattacharya, A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Zuo, JM (reprint author), Univ Illinois, Dept Mat Sci & Engn, 1304 W Green St, Urbana, IL 61801 USA. EM jianzuo@illinois.edu RI Bhattacharya, Anand/G-1645-2011 OI Bhattacharya, Anand/0000-0002-6839-6860 FU U.S. Department of Energy, Division of Materials Sciences [DEFG02-91ER45439]; Argonne National Laboratory under the U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Energy [DE-FG02-07ER46453, DE-FG02-07ER45471]; National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Xiaofang Zhai and James Eckstein for growing the LMO-STO and SVO-STO samples, Jochen Manhart and Scott Chambers for providing the LAO-STO sample, and Ivan Petrov for valuable discussions. Research in this manuscript is supported by the U.S. Department of Energy, Division of Materials Sciences under grant DEFG02-91ER45439 and Argonne National Laboratory under the U.S. Department of Energy grant DE-AC02-06CH11357 Digital Synthesis FWP. Microscopy was carried out at the Frederick Seitz Materials Research Laboratory Central Facilities, University of Illinois, which is partially supported by the U.S. Department of Energy under grants DE-FG02-07ER46453 and DE-FG02-07ER45471, and the National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the U.S. Department of Energy under grant DE-AC02-05CH11231. NR 42 TC 8 Z9 8 U1 0 U2 35 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0968-4328 J9 MICRON JI Micron PD AUG PY 2011 VL 42 IS 6 BP 539 EP 546 DI 10.1016/j.micron.2010.12.008 PG 8 WC Microscopy SC Microscopy GA 773UE UT WOS:000291335700001 PM 21376607 ER PT J AU Wallace, PK Arey, B Mahaffee, WF AF Wallace, Patricia Kay Arey, Bruce Mahaffee, Walter F. TI Subsurface examination of a foliar biofilm using scanning electron- and focused-ion-beam microscopy SO MICRON LA English DT Review DE FIB SIM; Phyllosphere ID BACTERIAL BIOFILMS; BIOLOGICAL SAMPLES; LEAF SURFACES; CELLS; MICROORGANISMS; PHYLLOSPHERE; FIB/SEM; SPROUTS; SEM AB The dual beam scanning electron microscope, equipped with both a focused ion- and scanning electron-beam (FIB SEM) is a novel tool for the exploration of the subsurface structure of biological tissues. The FIB can remove a predetermined amount of material from a selected site to allow for subsurface exploration and when coupled with SEM or scanning ion-beam microscopy (SIM) could be suitable to examine the subsurface structure of bacterial biofilms on the leaf surface. The suitability of chemical and cryofixation was examined for use with the FIB SEM to examine bacterial biofilms on leaf surfaces. The biological control agent. Burkholderia pyroccinia FP62, that rapidly colonizes the leaf surface and forms biofilms, was inoculated onto geranium leaves and incubated in a greenhouse for 7 or 14 days. Cryofixation was not suitable for examination of leaf biofilms because it created a frozen layer over the leaf surface that cracked when exposed to the electron beam and the protective cap required for FIB milling could not be accurately deposited. With chemically fixed samples, it was possible to precisely FIB mill a single cross section (5 mu m) or sequential cross sections from a single site without any damage to the surrounding surface. Biofilms, 7 days post-inoculation (DPI), were composed of 2-5 bacterial cell layers while biofilms 14 DPI ranged from 5 to greater than 30 cell layers. Empty spaces between bacteria cells in the subsurface structure were observed in biofilms 7- and 14-DPI. Sequential cross sections inferred that the empty spaces were often continuous between FP62 cells and could possibly make up a network of channels throughout the biofilm. FIB SEM was a useful tool to observe the subsurface composition of a foliar biofilm. Published by Elsevier Ltd. C1 [Mahaffee, Walter F.] ARS, USDA, Hort Crops Res Lab, Corvallis, OR 97330 USA. [Wallace, Patricia Kay; Mahaffee, Walter F.] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA. [Arey, Bruce] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Mahaffee, WF (reprint author), ARS, USDA, Hort Crops Res Lab, 3420 NW Orchard Ave, Corvallis, OR 97330 USA. EM walt.mahaffee@ars.usda.gov FU USDA-ARS CRIS [5358-22000-034-00] FX We thank Alice Dohnalkova (PNNL-EMSL) and Tara Neill (USDA-ARS) for advice on sample fixation for SEM. This work was supported by USDA-ARS CRIS 5358-22000-034-00 and through the user proposal system at PNNL-EMSL, proposal number 28394 & 32301. The Pacific Northwest National Laboratory-Environmental Molecular Sciences Laboratory (PNNL-EMSL) provide the use of its electron microscopy facility. The use of trade, firm, or corporation names in this publication is for the information and convenience of the reader. Such use does not constitute an official endorsement or approval by the United States Department of Agricultural Research Service of any product or service to the exclusion of others that may be suitable. NR 29 TC 9 Z9 9 U1 4 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0968-4328 J9 MICRON JI Micron PD AUG PY 2011 VL 42 IS 6 BP 579 EP 585 DI 10.1016/j.micron.2011.02.003 PG 7 WC Microscopy SC Microscopy GA 773UE UT WOS:000291335700006 PM 21482121 ER PT J AU Hooper, EB AF Hooper, E. B. TI Physics issues of a spheromak refluxing scenario SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 15th Workshop on MHD Stability Control - 3D Magnetic Field Effects in MHD Control CY NOV 15-17, 2010 CL Univ Wisconsin, Madison, WI HO Univ Wisconsin ID NEUTRAL BEAM INJECTION; HELICITY INJECTION; MAGNETIC HELICITY; ENERGY CONFINEMENT; DRIVEN SPHEROMAK; TCV TOKAMAK; HIGH-BETA; TRANSPORT; PLASMAS; FLUX AB The spheromak has a toroidal magnetic fusion geometry embedded in a simply connected flux conserver, which would simplify a reactor design if energy confinement were sufficiently good. Helicity injection is an efficient current-drive mechanism used in many spheromak experiments but has been shown theoretically and computationally to open the magnetic flux surfaces. Experiments are consistent with this: excellent confinement has been demonstrated in slowly decaying spheromaks with good surfaces, but it is poor in driven spheromaks. One option to overcome this limitation is to operate in a 'refluxing' mode in which the current drive and confinement phases of operation are separated in time. After the toroidal current and magnetic field have partially decayed, the current drive would be turned back on to rebuild the magnetic field. The physics of refluxing operation is explored in the resistive-MHD approximation using simulations and an integrated-physics model. The results suggest that sustaining the confinement phase for an extended time will require an auxiliary means of controlling the safety-factor profile. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hooper, EB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM hooper1@llnl.gov NR 44 TC 2 Z9 2 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2011 VL 53 IS 8 AR 085008 DI 10.1088/0741-3335/53/8/085008 PG 18 WC Physics, Fluids & Plasmas SC Physics GA 772CD UT WOS:000291207300017 ER PT J AU Piron, L Hanson, JM In, Y Marchiori, G Marrelli, L Martin, P Okabayashi, M Piovesan, P Reimerdes, H Soppelsa, A Strait, EJ AF Piron, L. Hanson, J. M. In, Y. Marchiori, G. Marrelli, L. Martin, P. Okabayashi, M. Piovesan, P. Reimerdes, H. Soppelsa, A. Strait, E. J. TI Improved dynamic response of magnetic feedback in RFX-mod and DIII-D SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 15th Workshop on MHD Stability Control - 3D Magnetic Field Effects in MHD Control CY NOV 15-17, 2010 CL Univ Wisconsin, Madison, WI HO Univ Wisconsin ID ACTIVE CONTROL; PLASMAS; DESIGN AB The wall of any magnetic fusion device is characterized by the presence of several 3D structures, such as portholes for diagnostics and for heating and current drive systems, coil feeds and other features. Time-varying magnetic fields induce eddy currents in the wall, whose pattern is modified by these structures, giving rise to magnetic field errors that can be amplified or shielded by the plasma. Two examples will be given on how the dynamic response of a 3D wall to external magnetic fields can be identified and used to optimize magnetic feedback. In the RFX-mod reversed-field pinch, a dynamic decoupler algorithm has been developed, which allows for the production of pure radial magnetic field harmonics inside the wall, reducing the harmonic distortion due to the 3D wall structures. This is applied here to the problem of producing helical boundary conditions to control helical RFP equilibria. In the DIII-D tokamak, a frequency-dependent scheme for the compensation of the magnetic sensors from spurious n = 1 fields due to the coupling with the feedback and axisymmetric coils has been recently implemented in real time and tested with plasma. The possible relevance of these 3D effects for high performance scenarios is discussed. C1 [Piron, L.; Marchiori, G.; Marrelli, L.; Martin, P.; Piovesan, P.; Soppelsa, A.] EURATOM ENEA Assoc, Consorzio RFX, I-35127 Padua, Italy. [Hanson, J. M.; Reimerdes, H.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Hanson, J. M.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. [In, Y.] FAR TECH Inc, San Diego, CA USA. [Okabayashi, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Strait, E. J.] Gen Atom Co, San Diego, CA 92186 USA. RP Piron, L (reprint author), EURATOM ENEA Assoc, Consorzio RFX, Corso Stati Uniti 4, I-35127 Padua, Italy. RI Soppelsa, Anton/G-6971-2011; Marrelli, Lionello/G-4451-2013; Marchiori, Giuseppe/I-6853-2013 OI Marrelli, Lionello/0000-0001-5370-080X; NR 18 TC 6 Z9 6 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2011 VL 53 IS 8 AR 084004 DI 10.1088/0741-3335/53/8/084004 PG 14 WC Physics, Fluids & Plasmas SC Physics GA 772CD UT WOS:000291207300008 ER PT J AU Tang, XZ AF Tang, X. Z. TI Kinetic magnetic dynamo in a sheath-limited high-temperature and low-density plasma SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 15th Workshop on MHD Stability Control - 3D Magnetic Field Effects in MHD Control CY NOV 15-17, 2010 CL Univ Wisconsin, Madison, WI HO Univ Wisconsin ID PERFORMANCE AB In a sheath-limited high-temperature and low-density plasma, energy and particle loss to an absorbing wall can set up a temperature anisotropy in which the normal-to-the-wall temperature is significantly lower than that of the parallel-to-the-wall directions, even for an upstream plasma source with isotropic temperature. This temperature anisotropy excites the Weibel instability and introduces a self-generated magnetic field which is parallel to the wall surface. The self-generated magnetic field modifies the sheath/presheath plasma in two ways upon saturation: (1) it suppresses the net energy loss rate to the absorbing wall, primarily through the ion channel and (2) it transfers energy between different degrees of freedom and reduces the plasma temperature anisotropy. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Tang, XZ (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. NR 13 TC 10 Z9 10 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2011 VL 53 IS 8 AR 082002 DI 10.1088/0741-3335/53/8/082002 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 772CD UT WOS:000291207300003 ER PT J AU Egami, T AF Egami, T. TI Atomic level stresses SO PROGRESS IN MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT 139th TMS Annual Meeting and Exhibition on Pb-Free Solders and Emerging Interconnect and Packaging Technologies CY FEB 14-18, 2010 CL Seattle, WA ID X-RAY-DIFFRACTION; METALLIC GLASSES; STRUCTURAL RELAXATION; AMORPHOUS SOLIDS; COMPUTER-SIMULATION; LIQUIDS; TRANSITION; DYNAMICS; DEFORMATION; DEFECTS AB The birth and subsequent development of the concept of the atomic level stresses are reviewed, and its future is discussed. Initially it was conceived as a means of describing the local structure in metallic glasses. It gradually became evident that its capacity is beyond the initial expectation. It appears that this concept is a powerful tool in understanding diverse phenomena in strongly disordered systems, such as the atomic dynamics in liquids, glass transition, mechanical failure and structural relaxation. This concept also has a potential to bridge distinct fields of glass research beyond metallic glasses, including colloids, molecular liquids, granular matter and other materials. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Egami, T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Egami, T.] Univ Tennessee, Dept Mat Sci & Engn, Joint Inst Neutron Sci, Knoxville, TN 37996 USA. [Egami, T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Egami, T (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM egami@utk.edu NR 63 TC 111 Z9 114 U1 9 U2 82 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0079-6425 J9 PROG MATER SCI JI Prog. Mater. Sci. PD AUG PY 2011 VL 56 IS 6 SI SI BP 637 EP 653 DI 10.1016/j.pmatsci.2011.01.004 PG 17 WC Materials Science, Multidisciplinary SC Materials Science GA 765HX UT WOS:000290697300004 ER PT J AU Mitri, FG Fellah, ZEA AF Mitri, F. G. Fellah, Z. E. A. TI Instantaneous axial force of a high-order Bessel vortex beam of acoustic waves incident upon a rigid movable sphere SO ULTRASONICS LA English DT Article DE Instantaneous force; High-order Bessel vortex beam; Rigid movable sphere; Progressive; Standing and quasi-standing waves ID MAGNETIC-RESONANCE ELASTOGRAPHY; RADIATION FORCE; ELASTIC SPHERE; NEUTRAL PARTICLES; SHEAR MODULUS; SOLID SPHERE; SCATTERING; MANIPULATION; DIFFRACTION; DISPERSION AB The present investigation examines the instantaneous force resulting from the interaction of an acoustical high-order Bessel vortex beam (HOBVB) with a rigid sphere. The rigid sphere case is important in fluid dynamics applications because it perfectly simulates the interaction of instantaneous sound waves in a reduced gravity environment with a levitated spherical liquid soft drop in air. Here, a closed-form solution for the instantaneous force involving the total pressure field as well as the Bessel beam parameters is obtained for the case of progressive, stationary and quasi-stationary waves. Instantaneous force examples for progressive waves are computed for both a fixed and a movable rigid sphere. The results show how the instantaneous force per unit cross-sectional surface and unit pressure varies versus the dimensionless frequency ka (k is the wave number in the fluid medium and a is the sphere's radius), the half-cone angle beta and the order m of the HOBVB. It is demonstrated here that the instantaneous force is determined only for (m, n) = (0, 1) (where n is the partial-wave number), and vanishes for m > 0 because of symmetry. In addition, the instantaneous force and normalized amplitude velocity results are computed and compared with those of a rigid immovable (fixed) sphere. It is shown that they differ significantly for ka values below 5. The proposed analysis may be of interest in the analysis of instantaneous forces on spherical particles for particle manipulation, filtering, trapping and drug delivery. The presented solutions may also serve as a method for comparison to other solutions obtained by strictly numerical or asymptotic approaches. (c) 2011 Elsevier B.V. All rights reserved. C1 [Mitri, F. G.] Los Alamos Natl Lab, Sensors & Electrochem Devices Acoust & Sensors Te, Los Alamos, NM 87545 USA. [Fellah, Z. E. A.] CNRS UPR 7051, Lab Mecan & Acoust, F-13009 Marseille, France. RP Mitri, FG (reprint author), Los Alamos Natl Lab, Sensors & Electrochem Devices Acoust & Sensors Te, MPA-11,MS D429, Los Alamos, NM 87545 USA. EM mitri@lanl.gov FU Los Alamos National Laboratory [LDRD-X9N9] FX The financial support provided through a Director's fellowship (LDRD-X9N9) from Los Alamos National Laboratory is gratefully acknowledged. Disclosure: this unclassified publication, with the following reference no. LA-UR11-10144, has been approved for unlimited public release under DUSA ENSCI. NR 73 TC 8 Z9 9 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0041-624X J9 ULTRASONICS JI Ultrasonics PD AUG PY 2011 VL 51 IS 6 BP 719 EP 724 DI 10.1016/j.ultras.2011.02.006 PG 6 WC Acoustics; Radiology, Nuclear Medicine & Medical Imaging SC Acoustics; Radiology, Nuclear Medicine & Medical Imaging GA 760EJ UT WOS:000290306600011 PM 21450326 ER PT J AU Wallner, T AF Wallner, Thomas TI Correlation Between Speciated Hydrocarbon Emissions and Flame Ionization Detector Response for Gasoline/Alcohol Blends SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article AB dThe U. S. renewable fuel standard has made it a requirement to increase the production of ethanol and advanced biofuels to 36 billion by 2022. Ethanol will be capped at 15 billion, which leaves 21 billion to come from other sources such as butanol. Butanol has a higher energy density and lower affinity for water than ethanol. Moreover, alcohol fueled engines in general have been shown to positively affect engine-out emissions of oxides of nitrogen and carbon monoxide compared with their gasoline fueled counterparts. In light of these developments, the variety and blend levels of oxygenated constituents is likely to increase in the foreseeable future. The effect on engine-out emissions for total hydrocarbons is less clear due to the relative insensitivity of the flame ionization detector (FID) toward alcohols and aldehydes. It is well documented that hydrocarbon (HC) measurement using a conventional FID in the presence of oxygenates in the engine exhaust stream can lead to a misinterpretation of HC emissions trends for alcohol fuel blends. Characterization of the exhaust stream for all expected hydrocarbon constituents is required to accurately determine the actual concentration of unburned fuel components in the exhaust. In addition to a conventional exhaust emissions bench, this characterization requires supplementary instrumentation capable of hydrocarbon speciation and response factor independent quantification. Although required for certification testing, this sort of instrumentation is not yet widely available in engine development facilities. Therefore, an attempt is made to empirically determine FID correction factors for oxygenate fuels. Exhaust emissions of an engine fueled with several blends of gasoline and ethanol, n-butanol and iso-Butanol were characterized using both a conventional FID and a Fourier transform infrared. Based on these results, a response factor predicting the actual hydrocarbon emissions based solely on FID results as a function of alcohol type and content is presented. Finally, the correlation derived from data presented in this study is compared with equations and results found in the literature. [DOI: 10.1115/1.4002893] C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Wallner, T (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM twallner@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The submitted manuscript has been created by UChicago Argonne, LLC, operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. NR 18 TC 12 Z9 13 U1 0 U2 10 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 EI 1528-8919 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD AUG PY 2011 VL 133 IS 8 AR 082801 DI 10.1115/1.4002893 PG 8 WC Engineering, Mechanical SC Engineering GA 748GW UT WOS:000289379300017 ER PT J AU Green, CK Streator, JL Haynes, C Lara-Curzio, E AF Green, Christopher K. Streator, Jeffrey L. Haynes, Comas Lara-Curzio, Edgar TI A Computational Leakage Model for Solid Oxide Fuel Cell Compressive Seals SO JOURNAL OF FUEL CELL SCIENCE AND TECHNOLOGY LA English DT Article ID ROUGH SURFACES; CONTACT MECHANICS AB One of the key obstacles precluding the maturation and commercialization of planar solid oxide fuel cells has been the absence of a robust sealant. A computational model has been developed in conjunction with leakage experiments at Oak Ridge National Laboratory. The aforementioned model consists of three components: a macroscopic model, a microscopic model, and a mixed lubrication model. The macroscopic model is a finite element representation of a preloaded metal-metal seal interface, which is used to ascertain macroscopic stresses and deformations. The microscale contact mechanics model accounts for the role of surface roughness in determining the mean interfacial gap at the sealing interface. In particular, a new multiscale fast Fourier transform-based model is used to determine the gap. An averaged Reynolds equation derived from mixed lubrication theory is then applied to approximate the leakage flow across the rough annular interface. The composite model is applied as a predictive tool for assessing how certain physical parameters (i.e., seal material composition, compressive applied stress, surface finish, and elastic thermophysical properties) affect seal leakage rates. The leakage results predicted by the aforementioned computational leakage model are then compared with experimental results. [DOI: 10.1115/1.3117252] C1 [Green, Christopher K.; Streator, Jeffrey L.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Haynes, Comas] Georgia Inst Technol, Georgia Tech Res Inst, Atlanta, GA 30332 USA. [Lara-Curzio, Edgar] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Green, CK (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. FU Office of FreedomCAR and Vehicle Technologies; U.S. Department of Energy [DE-AC05-00OR22725] FX The authors would like to acknowledge support of this work from the Taiho Kogyo Tribology Research Fund. The authors would also like to thank Ms. Rosa Trejo for assistance with setting up the leakage experiments as well as Ms. Jieun Yoo for assistance with calculations of leakage rate. This research is sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle Technologies, as part of the High Temperature Materials Laboratory User Program, Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 22 TC 1 Z9 1 U1 0 U2 4 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1550-624X J9 J FUEL CELL SCI TECH JI J. Fuel Cell Sci. Technol. PD AUG PY 2011 VL 8 IS 4 AR 041003 DI 10.1115/1.3117252 PG 9 GA 744TS UT WOS:000289118000003 ER PT J AU VanOsdol, J Gemmen, R Liese, E AF VanOsdol, John Gemmen, Randall Liese, Eric TI Examination of the Effect of System Pressure Ratio and Heat Recuperation on the Efficiency of a Coal-Based Gas Turbine Fuel Cell Hybrid Power Generation System With CO2 Capture SO JOURNAL OF FUEL CELL SCIENCE AND TECHNOLOGY LA English DT Article AB This paper examines two coal-based hybrid configurations that employ separated anode and cathode streams for the capture and compression of CO2. One configuration uses a standard Brayton cycle, and the other adds heat recuperation ahead of the fuel cell. Results show that peak efficiencies near 55% are possible, regardless of cycle configuration, including the cost in terms of energy production of CO2 capture and compression. The power that is required to capture and compress CO2 is shown to be approximately 15% of the total plant power. [DOI: 10.1115/1.4002793] C1 [VanOsdol, John; Gemmen, Randall; Liese, Eric] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP VanOsdol, J (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM jvanosl@netl.doe.gov; rgemmen@netl.doe.gov; eliese@netl.doe.gov NR 13 TC 0 Z9 0 U1 1 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1550-624X J9 J FUEL CELL SCI TECH JI J. Fuel Cell Sci. Technol. PD AUG PY 2011 VL 8 IS 4 AR 041009 DI 10.1115/1.4002793 PG 7 GA 744TS UT WOS:000289118000009 ER EF