FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Templeton, AK Chu, JCH Coon, AB Sun, J Yao, R Bernard, D Griem, KL AF Templeton, A. K. Chu, J. C. H. Coon, A. B. Sun, J. Yao, R. Bernard, D. Griem, K. L. TI Thermal Imaging as an Indicator of Future Skin Toxicity Post Irradiation SO INTERNATIONAL JOURNAL OF RADIATION ONCOLOGY BIOLOGY PHYSICS LA English DT Meeting Abstract CT 52nd Annual Meeting of the American-Society-For-Radiation-Oncology CY OCT 31-NOV 04, 2010 CL San Diego, CA SP Amer Soc Radiation Oncol C1 [Templeton, A. K.; Chu, J. C. H.; Coon, A. B.; Yao, R.; Bernard, D.; Griem, K. L.] Rush Univ, Med Ctr, Chicago, IL 60612 USA. [Sun, J.] Argonne Natl Lab, Argonne, IL 60439 USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0360-3016 J9 INT J RADIAT ONCOL JI Int. J. Radiat. Oncol. Biol. Phys. PY 2010 VL 78 IS 3 SU S BP S711 EP S711 PG 1 WC Oncology; Radiology, Nuclear Medicine & Medical Imaging SC Oncology; Radiology, Nuclear Medicine & Medical Imaging GA 740EZ UT WOS:000288775701625 ER PT J AU Yu, JS Mao, J Wade, M Del Rosario, R Wu, D Cardiff, R Wahl, GM Balmain, A AF Yu, J. S. Mao, J. Wade, M. Del Rosario, R. Wu, D. Cardiff, R. Wahl, G. M. Balmain, A. TI Mice Lacking the Proline-rich Domain of p53 Are Exquisitely Sensitive to Epithelial Tumor Development after Gamma-Irradiation SO INTERNATIONAL JOURNAL OF RADIATION ONCOLOGY BIOLOGY PHYSICS LA English DT Meeting Abstract CT 52nd Annual Meeting of the American-Society-For-Radiation-Oncology CY OCT 31-NOV 04, 2010 CL San Diego, CA SP Amer Soc Radiation Oncol C1 [Yu, J. S.; Del Rosario, R.; Wu, D.; Balmain, A.] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Mao, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Wade, M.; Wahl, G. M.] Salk Inst Biol Studies, La Jolla, CA USA. [Cardiff, R.] Univ Calif Davis, Davis, CA 95616 USA. RI Wade, Mark /B-6719-2009 OI Wade, Mark /0000-0002-2688-5965 NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0360-3016 J9 INT J RADIAT ONCOL JI Int. J. Radiat. Oncol. Biol. Phys. PY 2010 VL 78 IS 3 SU S BP S88 EP S89 PG 2 WC Oncology; Radiology, Nuclear Medicine & Medical Imaging SC Oncology; Radiology, Nuclear Medicine & Medical Imaging GA 740EZ UT WOS:000288775700190 ER PT J AU Ham, MI Rodriguez, MA AF Ham, M. I. Rodriguez, M. A. TI A boundary approximation algorithm for distributed sensor networks SO INTERNATIONAL JOURNAL OF SENSOR NETWORKS LA English DT Article DE boundary detection; low bandwidth communication; wireless sensor networks AB We present an algorithm for boundary approximation in locally linked sensor networks that communicate with a remote monitoring station. Delaunay triangulations and Voronoi diagrams are used to generate a sensor communication network and define boundary segments between sensors, respectively. The proposed algorithm reduces remote station communication by approximating boundaries via a decentralised computation executed within the network. Moreover, the algorithm identifies boundaries based on differences between neighbouring sensor readings, not absolute sensor values. An analysis of the bandwidth consumption of the algorithm is presented and compared to two naive approaches. The proposed algorithm reduces the amount of remote communication (compared to the naive approaches) and becomes increasingly useful in networks with more nodes. C1 [Ham, M. I.] Los Alamos Natl Lab, Phys Div P21, Los Alamos, NM USA. [Rodriguez, M. A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Div Theoret, Los Alamos, NM 87545 USA. RP Ham, MI (reprint author), Los Alamos Natl Lab, Phys Div P21, Los Alamos, NM USA. EM mikeh@lanl.gov; marko@lanl.gov FU US Department of Education FX We would like to thank Levi Larkey and Vadas Gintautas for their contributions to this paper. This research was funded by a US Department of Education GAANN Fellowship and an IC Postdoctoral Fellowship. NR 25 TC 10 Z9 10 U1 0 U2 1 PU INDERSCIENCE ENTERPRISES LTD PI GENEVA PA WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND SN 1748-1279 J9 INT J SENS NETW JI Int. J. Sens. Netw. PY 2010 VL 8 IS 1 BP 41 EP 46 PG 6 WC Computer Science, Information Systems; Telecommunications SC Computer Science; Telecommunications GA 646XF UT WOS:000281577500004 ER PT J AU Wesolowski, D Olivetti, E Graham, A Lanou, S Cooper, P Doughty, J Wilk, R Glicksman, L AF Wesolowski, Daniel Olivetti, Elsa Graham, Amanda Lanou, Steve Cooper, Peter Doughty, Jim Wilk, Rich Glicksman, Leon TI The use of feedback in lab energy conservation: fume hoods at MIT SO INTERNATIONAL JOURNAL OF SUSTAINABILITY IN HIGHER EDUCATION LA English DT Article DE Feedback; Energy conservation; Laboratory testing AB Purpose - The purpose of this paper is to report on the results of an Massachusetts Institute of Technology Chemistry Department campaign to reduce energy consumption in chemical fume hoods. Hood use feedback to lab users is a crucial component of this campaign. Design/methodology/approach - Sash position sensor data on variable air volume fume hoods are remotely collected. A 15 minutes average fume hood sash positions for each laboratory are recorded. Data are compiled monthly and a report with average sash position over time and relative frequency of hood position are delivered to the principal investigators of the labs. Findings - Average sash height is lowered by 26 percent (from 16.3 +/- 0.85 percent open to 12.1 +/- 0.39 percent open) throughout the department, saving an estimated $41,000/year. Sash position during inactive periods is lowered from 9 to 6 percent open. Half of all department savings occurred in four (of 25) labs. Energy savings are substantially less than original expectations because most installed fume hoods use combination sashes. Labs with vertical sashes use the most energy, and see the most savings from the intervention. Practical implications - Monthly feedback is an effective tool for encouraging better hood use behavior. Potential savings from even large behavior changes can be limited if existing equipment is relatively efficient, so conservation programs should be tailored to the existing conditions. Originality/value - The present analysis provides data on the impact of a program in a relatively efficient setting compared to other fume hood conservation reports. The results have cautionary value for designers of similar programs. A breakdown of a laboratory building utility use is also provided. C1 [Olivetti, Elsa] MIT, Mat Syst Lab, Cambridge, MA 02139 USA. [Wesolowski, Daniel] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Lanou, Steve] MIT, Sustainabil Program, Environm Programs Off, Cambridge, MA 02139 USA. [Graham, Amanda] MIT, Energy Initiat Educ Off, Cambridge, MA 02139 USA. [Doughty, Jim] MIT, Sch Sci, Cambridge, MA 02139 USA. [Wilk, Rich] MIT, Dept Chem, Cambridge, MA 02139 USA. RP Olivetti, E (reprint author), MIT, Mat Syst Lab, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM elsao@mit.edu NR 21 TC 1 Z9 1 U1 1 U2 9 PU EMERALD GROUP PUBLISHING LIMITED PI BINGLEY PA HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND SN 1467-6370 J9 INT J SUST HIGHER ED JI Int. J. Sustain. High. Educ. PY 2010 VL 11 IS 3 BP 217 EP 235 DI 10.1108/14676371011058523 PG 19 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Education & Educational Research SC Science & Technology - Other Topics; Education & Educational Research GA V24GT UT WOS:000208399600003 ER PT J AU Linn, RR Winterkamp, JL Weise, DR Edminster, C AF Linn, Rodman R. Winterkamp, Judith L. Weise, David R. Edminster, Carleton TI A numerical study of slope and fuel structure effects on coupled wildfire behaviour SO INTERNATIONAL JOURNAL OF WILDLAND FIRE LA English DT Article DE fire propagation; FIRETEC; non-local slope effects; vegetation structure effects ID MODELING FOREST-FIRES; WIND; BEDS; ATMOSPHERE; SPREAD; PROPAGATION; SIMULATION AB Slope and fuel structure are commonly accepted as major factors affecting theway wildfires behave. However, it is possible that slope affects fire differently depending on the fuel bed. Six FIRETEC simulations using three different fuel beds on flat and upslope topography were used to examine this possibility. Fuel beds resembling grass, chaparral, and ponderosa pine forests were created in such a way that there were two specific locations with identical local fuel beds located around them. These fuel beds were each used for a flat-terrain simulation and an idealised-hill simulation in order to isolate the impacts of the topography without the complications of having different local fuels. In these simulations, fuel bed characteristics have a significant effect on the spread rate and perimeter shape of the fires on both flat ground and on the idealised smooth hill topography. The analysis showed that these simulated fires evolved as they travelled between the locations even on flat ground, and the accelerations and decelerations that affect the fire occurred at different times and at different rates depending on the fuel bed. The results of these simulations and analyses indicate that though some general principles are true for all fuel beds, there are differences in the way that fires react to non-homogeneous topographies depending on the fuel bed. C1 [Linn, Rodman R.; Winterkamp, Judith L.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Weise, David R.] US Forest Serv, USDA, Pacific SW Res Stn, Riverside, CA 92507 USA. [Edminster, Carleton] US Forest Serv, USDA, Rocky Mt Res Stn, Flagstaff, AZ 86001 USA. RP Linn, RR (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM rrl@lanl.gov FU USDA Forest Service's Rocky Mountain; Pacific South-west Research Stations FX The Los Alamos National Laboratory Institutional Computing Program provided critical computing resources for this work. Financial support for this work was provided by the USDA Forest Service's Rocky Mountain and Pacific South-west Research Stations, the Joint Fire Science program, and the National Fire Plan. NR 47 TC 13 Z9 14 U1 1 U2 6 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1049-8001 J9 INT J WILDLAND FIRE JI Int. J. Wildland Fire PY 2010 VL 19 IS 2 BP 179 EP 201 DI 10.1071/WF07120 PG 23 WC Forestry SC Forestry GA 575XW UT WOS:000276106500005 ER PT J AU Clark, MM Fletcher, TH Linn, RR AF Clark, Michael M. Fletcher, Thomas H. Linn, Rodman R. TI A sub-grid, mixture-fraction-based thermodynamic equilibrium model for gas phase combustion in FIRETEC: development and results SO INTERNATIONAL JOURNAL OF WILDLAND FIRE LA English DT Article ID MULTIPHASE FORMULATION; PRODUCT COMPOSITIONS; RAPID PYROLYSIS; FUEL BEDS; SPREAD; PROPAGATION; ATMOSPHERE; KINETICS; MEDIA AB The chemical processes of gas phase combustion in wildland fires are complex and occur at length-scales that are not resolved in computational fluid dynamics (CFD) models of landscape-scale wildland fire. A new approach for modelling fire chemistry in HIGRAD/FIRETEC (a landscape-scale CFD wildfire model) applies a mixture-fraction model relying on thermodynamic chemical equilibrium to predict combustion flame temperatures and product species compositions. The mixture-fraction approach is common in combustor modelling applications. However, since individual flame sheets are not resolved in HIGRAD/FIRETEC, application of the mixture-fraction approach requires the development of a sub-grid model, which is based on the two assumptions (i) that combustible gases are concentrated into distinct pockets surrounded by air and combustion products and (ii) that reaction is limited by the mixing of the surrounding air with combustible gases from these pockets. The pocket radius and the thickness of the mixing zone are key parameters used in this model to characterise the sub-grid region where reaction occurs. The development of this sub-grid gas phase model is presented along with simulation results for various types of vegetation, including grass, California chaparral and ponderosa pine. C1 [Clark, Michael M.; Fletcher, Thomas H.] Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. [Clark, Michael M.; Linn, Rodman R.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Clark, MM (reprint author), Brigham Young Univ, Dept Chem Engn, Provo, UT 84602 USA. EM mmclark@byu.net FU LANL Institute for Geophysics and Planetary Physics; USDA Forest Service FX This work was performed using the computing resources of the Los Alamos National Laboratory Institutional Computing Program at Los Alamos National Laboratory and the Fulton Supercomputing Laboratory at Brigham Young University. Financial support from the LANL Institute for Geophysics and Planetary Physics and the USDA Forest Service is also gratefully acknowledged. NR 26 TC 7 Z9 7 U1 2 U2 9 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1049-8001 J9 INT J WILDLAND FIRE JI Int. J. Wildland Fire PY 2010 VL 19 IS 2 BP 202 EP 212 DI 10.1071/WF07116 PG 11 WC Forestry SC Forestry GA 575XW UT WOS:000276106500006 ER PT J AU Koo, E Pagni, PJ Weise, DR Woycheese, JP AF Koo, Eunmo Pagni, Patrick J. Weise, David R. Woycheese, John P. TI Firebrands and spotting ignition in large-scale fires SO INTERNATIONAL JOURNAL OF WILDLAND FIRE LA English DT Review DE fire spread; forest fire; post-earthquake fire; urban conflagration; wildland-urban interface fire ID HIGH WINDS; FUEL BEDS; MODEL; TRAJECTORIES; ATMOSPHERE; TRANSPORT; BEHAVIOR; FLIGHT; URBAN AB Spotting ignition by lofted firebrands is a significant mechanism of fire spread, as observed in many large-scale fires. The role of firebrands in fire propagation and the important parameters involved in spot fire development are studied. Historical large-scale fires, including wind-driven urban and wildland conflagrations and post-earthquake fires are given as examples. In addition, research on firebrand behaviour is reviewed. The phenomenon of spotting fires comprises three sequential mechanisms: generation, transport and ignition of recipient fuel. In order to understand these mechanisms, many experiments have been performed, such as measuring drag on firebrands, analysing the flow fields of flame and plume structures, collecting firebrands from burning materials, houses and wildfires, and observing firebrand burning characteristics in wind tunnels under the terminal velocity condition and ignition characteristics of fuel beds. The knowledge obtained from the experiments was used to develop firebrand models. Since Tarifa developed a firebrand model based on the terminal velocity approximation, many firebrand transport models have been developed to predict maximum spot fire distance. Combustion models of a firebrand were developed empirically and the maximum spot fire distance was found at the burnout limit. Recommendations for future research and development are provided. C1 [Koo, Eunmo] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Pagni, Patrick J.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Weise, David R.] USDA Forest Serv, Pacific SW Res Stn, Riverside, CA 92507 USA. [Woycheese, John P.] Hughes Associates Inc, San Ramon, CA 94583 USA. RP Koo, E (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM koo_e@lanl.gov OI Koo, Eunmo/0000-0001-9943-9694 FU USDA Forest Service [02-JV-11272166-073]; Joint Fire Science Program [07-1-5-01] FX The authors are very grateful for the financial support provided by the USDA Forest Service under grant number 02-JV-11272166-073 and Joint Fire Science Program under project number 07-1-5-01. The authors apologise to those authors who should have been included in this review, but were not, owing to the authors' ignorance and length restrictions. NR 109 TC 46 Z9 47 U1 4 U2 25 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1049-8001 J9 INT J WILDLAND FIRE JI Int. J. Wildland Fire PY 2010 VL 19 IS 7 BP 818 EP 843 DI 10.1071/WF07119 PG 26 WC Forestry SC Forestry GA 706AJ UT WOS:000286183100003 ER PT S AU McLerran, L AF McLerran, Larry BE Bicudo, P Giacosa, F Kabana, S Malek, M Mathieu, V Sauli, V TI THE QCD PHASE DIAGRAM: LARGE N-c, QUARKYONIC MATTER AND THE TRIPLE POINT SO INTERNATIONAL MEETING: EXCITED QCD SE Acta Physica Polonica B Proceedings Supplement LA English DT Proceedings Paper CT 2nd International Meeting on Excited QCD CY JAN 31-FEB 06, 2010 CL Lesna Stara, SLOVAKIA ID NUCLEUS-NUCLEUS COLLISIONS; EXPANSION; BARYONS AB I discuss the phase diagram of QCD in the large N-c limit. Quarkyonic Matter is described. The properties of QCD matter as measured in the abundance of produced particles are shown to be consistent with this phase diagram. A possible triple point of Hadronic Matter, Deconfined Matter and Quarkyonic Matter is shown to explain various behaviors of ratios of particle abundances seen in CERN fixed target experiments. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP McLerran, L (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 17 TC 1 Z9 1 U1 0 U2 2 PU JAGIELLONIAN UNIV PI CRACOW PA GOLEBIA 24, 31-007 CRACOW, POLAND SN 1899-2358 J9 ACTA PHYS POL B PR S PY 2010 VL 3 IS 4 BP 785 EP 790 PG 6 WC Physics, Particles & Fields SC Physics GA BVT30 UT WOS:000292709100001 ER PT S AU Bauman, BJ Xiao, H AF Bauman, Brian J. Xiao, Hong BE Bentley, J Gupta, A Youngworth, RN TI Gaussian quadrature for optical design with non-circular pupils and fields, and broad wavelength ranges SO INTERNATIONAL OPTICAL DESIGN CONFERENCE 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on International Optical Design CY JUN 13-17, 2010 CL Jackson Hole, WY SP Opt Soc Amer (OSA), SPIE, CDGM Glass Co, Univ Arizona, Coll Opt Sci, CREOLE, Coll Opt & Photon, Univ Cent Florida, Inst Opt, Univ Rochester, Opt Res Assoc, Schott N Amer Inc, OSA Fdn DE Geometric optical design; lens system design; Gaussian Quadrature; Buchdahl chromatic coordinate AB Forbes introduced the usage of Gaussian quadratures in optical design for circular pupils and fields, and for a specific visible wavelength band. In this paper, Gaussian quadrature methods of selecting rays in ray-tracing are derived for non-circular pupil shapes, such as obscured and vignetted apertures. In addition, these methods are generalized for square fields, and for integrating performance over arbitrary wavelength bands. Integration over wavelength is aided by the use of a novel chromatic coordinate. These quadratures achieve low calculations with fewer rays (by orders of magnitude) than uniform sampling schemes. C1 [Bauman, Brian J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bauman, BJ (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,M-S L-210, Livermore, CA 94550 USA. EM bauman3@llnl.gov NR 11 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-082-8 J9 PROC SPIE PY 2010 VL 7652 AR 76522S DI 10.1117/12.872773 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BSU93 UT WOS:000285843900100 ER PT S AU Brady, GR Kemme, SA Ellis, AR AF Brady, Gregory R. Kemme, Shanalyn A. Ellis, A. Robert BE Bentley, J Gupta, A Youngworth, RN TI Miniaturized UV fluorescence collection optics integrated with ion trap chips SO INTERNATIONAL OPTICAL DESIGN CONFERENCE 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on International Optical Design CY JUN 13-17, 2010 CL Jackson Hole, WY SP Opt Soc Amer (OSA), SPIE, CDGM Glass Co, Univ Arizona, Coll Opt Sci, CREOLE, Coll Opt & Photon, Univ Cent Florida, Inst Opt, Univ Rochester, Opt Res Assoc, Schott N Amer Inc, OSA Fdn DE diffractive optics; micro optics; ion trapping; quantum computing; lens design; optical design; optical alignment; high vacuum integration; optical integration AB For practical quantum computing, it will be necessary to detect the fluorescence from trapped ions using microscale ion trap chips. We describe the first design, fabrication and assembly of a set of diffractive optics for intimate integration into the trap chip and for coupling this fluorescence into multimode fibers. The design is complicated by the constraints of the ion trap environment. In addition, the choice of available materials is restricted to those compatible with ultrahigh vacuum. The completed optics-ion trap assembly has successfully demonstrated ion trapping, as well as ion shuttling, with no necessary modifications to the trapping and shuttling voltage levels. C1 [Brady, Gregory R.; Kemme, Shanalyn A.; Ellis, A. Robert] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brady, GR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM grbrady@sandia.gov NR 7 TC 1 Z9 1 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-082-8 J9 PROC SPIE PY 2010 VL 7652 AR 76522G DI 10.1117/12.871023 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BSU93 UT WOS:000285843900088 ER PT S AU Romero, LA Dickey, FM AF Romero, L. A. Dickey, F. M. BE Bentley, J Gupta, A Youngworth, RN TI Mathematical Aspects of Laser Beam Shaping and Splitting SO INTERNATIONAL OPTICAL DESIGN CONFERENCE 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on International Optical Design CY JUN 13-17, 2010 CL Jackson Hole, WY SP Opt Soc Amer (OSA), SPIE, CDGM Glass Co, Univ Arizona, Coll Opt Sci, CREOLE, Coll Opt & Photon, Univ Cent Florida, Inst Opt, Univ Rochester, Opt Res Assoc, Schott N Amer Inc, OSA Fdn ID PHASE GRATINGS AB We discuss general mathematical ideas arising in the problems of laser beam shaping and splitting. We give examples illustrating how formulating and analyzing the problem in its initial stages can lead to insight into how to use more general purpose design tools. We will be particularly concerned with questions concerning the scaling and symmetry of such systems. C1 [Romero, L. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Romero, LA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 15 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-082-8 J9 PROC SPIE PY 2010 VL 7652 AR 765225 DI 10.1117/12.868637 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BSU93 UT WOS:000285843900077 ER PT S AU Seppala, LG AF Seppala, Lynn G. BE Bentley, J Gupta, A Youngworth, RN TI Simultaneous design of an optical system and null tests of the components: Examples and results from the Large-aperture Synoptic Survey Telescope SO INTERNATIONAL OPTICAL DESIGN CONFERENCE 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on International Optical Design CY JUN 13-17, 2010 CL Jackson Hole, WY SP Opt Soc Amer (OSA), SPIE, CDGM Glass Co, Univ Arizona, Coll Opt Sci, CREOLE, Coll Opt & Photon, Univ Cent Florida, Inst Opt, Univ Rochester, Opt Res Assoc, Schott N Amer Inc, OSA Fdn AB Optical null tests for three lenses and two subsystems were incorporated into the optical design procedure for the Large-aperture Synoptic Survey Telescope [1]. The "skip surfaces" feature in the OSLO optical design program was crucial. The resulting optical tests were extremely simple, requiring only a retro reflecting spherical or flat mirror. This is only possible because the optical tests were simultaneously designed and optimized as the telescope was designed. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Seppala, LG (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-082-8 J9 PROC SPIE PY 2010 VL 7652 AR 76520I DI 10.1117/12.868873 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BSU93 UT WOS:000285843900018 ER PT S AU Sweatt, WC Jared, BH Nielson, GN Okandan, M Filatov, A Sinclair, MB Cruz-Campa, JL Lentine, AL AF Sweatt, W. C. Jared, B. H. Nielson, G. N. Okandan, M. Filatov, A. Sinclair, M. B. Cruz-Campa, J. L. Lentine, A. L. BE Bentley, J Gupta, A Youngworth, RN TI Micro-optics for high-efficiency optical performance and simplified tracking for concentrated photovoltaics (CPV) SO INTERNATIONAL OPTICAL DESIGN CONFERENCE 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on International Optical Design CY JUN 13-17, 2010 CL Jackson Hole, WY SP Opt Soc Amer (OSA), SPIE, CDGM Glass Co, Univ Arizona, Coll Opt Sci, CREOLE, Coll Opt & Photon, Univ Cent Florida, Inst Opt, Univ Rochester, Opt Res Assoc, Schott N Amer Inc, OSA Fdn AB Micro-optical 5mm lenses in 50mm sub-arrays illuminate arrays of photovoltaic cells with 49X concentration. Fine tracking over +/- 10 degrees FOV in sub-array allows coarse tracking by meter-sized solar panels. Plastic prototype demonstrated for 400nm 4 kA) pulsed vacuum arc plasma from a ring cathode near the edge of the solenoid. The plasma distribution is characterized by photographic means and by an array of movable Langmuir probes. The plasma is produced at several cathode spots distributed azimuthally on the ring cathode. Beam neutralization and compression are accomplished, though issues of density, uniformity, and pulse-to-pulse reproducibly remain to be solved. C1 [Anders, Andre; Roy, Prabir] Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Kauffeldt, Marina] Univ German Fed Armed Forces, D-85577 Neubiberg, Germany. [Oks, Efim] Inst High Current Electron, Tomsk 634055, Russia. RP Anders, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM aanders@lbl.gov RI Anders, Andre/B-8580-2009 OI Anders, Andre/0000-0002-5313-6505 FU U.S. Department of Energy [DE-AC02-05CH11231] FX Work at Berkeley Lab was supported by the U.S. Department of Energy, and under Contract No. DE-AC02-05CH11231. NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1093-2941 BN 978-1-4244-8365-5 J9 INT SYM DISCH ELECTR PY 2010 BP 525 EP 528 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BTM92 UT WOS:000287378600132 ER PT J AU Wagner-Dobler, I Ballhausen, B Berger, M Brinkhoff, T Buchholz, I Bunk, B Cypionka, H Daniel, R Drepper, T Gerdts, G Hahnke, S Han, C Jahn, D Kalhoefer, D Kiss, H Klenk, HP Kyrpides, N Liebl, W Liesegang, H Meincke, L Pati, A Petersen, J Piekarski, T Pommerenke, C Pradella, S Pukall, R Rabus, R Stackebrandt, E Thole, S Thompson, L Tielen, P Tomasch, J von Jan, M Wanphrut, N Wichels, A Zech, H Simon, M AF Wagner-Doebler, Irene Ballhausen, Britta Berger, Martine Brinkhoff, Thorsten Buchholz, Ina Bunk, Boyke Cypionka, Heribert Daniel, Rolf Drepper, Thomas Gerdts, Gunnar Hahnke, Sarah Han, Cliff Jahn, Dieter Kalhoefer, Daniela Kiss, Hajnalka Klenk, Hans-Peter Kyrpides, Nikos Liebl, Wolfgang Liesegang, Heiko Meincke, Linda Pati, Amrita Petersen, Joern Piekarski, Tanja Pommerenke, Claudia Pradella, Silke Pukall, Ruediger Rabus, Ralf Stackebrandt, Erko Thole, Sebastian Thompson, Linda Tielen, Petra Tomasch, Juergen von Jan, Mathias Wanphrut, Nittaya Wichels, Antje Zech, Hajo Simon, Meinhard TI The complete genome sequence of the algal symbiont Dinoroseobacter shibae: a hitchhiker's guide to life in the sea SO ISME JOURNAL LA English DT Article DE symbiosis; vitamin; cobalamin; thiamine; Roseobacter; dinoflagellate ID DINOFLAGELLATE PROROCENTRUM-LIMA; MARINE ROSEOBACTER LINEAGE; DISSOLVED ORGANIC-MATTER; IN-SITU HYBRIDIZATION; RHODOBACTER-CAPSULATUS; SINORHIZOBIUM-MELILOTI; ACQUIRED-RESISTANCE; TRAP TRANSPORTERS; SP-NOV; BACTERIA AB Dinoroseobacter shibae DFL12(T), a member of the globally important marine Roseobacter clade, comprises symbionts of cosmopolitan marine microalgae, including toxic dinoflagellates. Its annotated 4 417 868 bp genome sequence revealed a possible advantage of this symbiosis for the algal host. D. shibae DFL12(T) is able to synthesize the vitamins B(1) and B(12) for which its host is auxotrophic. Two pathways for the de novo synthesis of vitamin B12 are present, one requiring oxygen and the other an oxygen-independent pathway. The de novo synthesis of vitamin B(12) was confirmed to be functional, and D. shibae DFL12(T) was shown to provide the growth-limiting vitamins B(1) and B(12) to its dinoflagellate host. The Roseobacter clade has been considered to comprise obligate aerobic bacteria. However, D. shibae DFL12(T) is able to grow anaerobically using the alternative electron acceptors nitrate and dimethylsulfoxide; it has the arginine deiminase survival fermentation pathway and a complex oxygen-dependent Fnr (fumarate and nitrate reduction) regulon. Many of these traits are shared with other members of the Roseobacter clade. D. shibae DFL12(T) has five plasmids, showing examples for vertical recruitment of chromosomal genes (thiC) and horizontal gene transfer (cox genes, gene cluster of 47 kb) possibly by conjugation (vir gene cluster). The long-range (80%) synteny between two sister plasmids provides insights into the emergence of novel plasmids. D. shibae DFL12(T) shows the most complex viral defense system of all Rhodobacterales sequenced to date. The ISME Journal (2010) 4, 61-77; doi:10.1038/ismej.2009.94; published online 10 September 2009 C1 [Wagner-Doebler, Irene; Ballhausen, Britta; Buchholz, Ina; Pommerenke, Claudia; Tomasch, Juergen] Helmholtz Ctr Infect Res, Braunschweig, Germany. [Berger, Martine; Brinkhoff, Thorsten; Cypionka, Heribert; Hahnke, Sarah; Kalhoefer, Daniela; Rabus, Ralf; Thole, Sebastian; Zech, Hajo; Simon, Meinhard] Carl von Ossietzky Univ Oldenburg, Inst Chem & Biol Marine Environm, D-2900 Oldenburg, Germany. [Bunk, Boyke; Jahn, Dieter; Piekarski, Tanja; Tielen, Petra; Wanphrut, Nittaya] Tech Univ Carolo Wilhelmina Braunschweig, Inst Microbiol, Braunschweig, Germany. [Daniel, Rolf; Liesegang, Heiko] Univ Gottingen, Inst Microbiol & Genet, Gottingen, Germany. [Drepper, Thomas] Forschungszentrum Julich, Julich, Germany. [Gerdts, Gunnar; Wichels, Antje] Biol Anstalt Helgoland, Alfred Wegener Inst Polar & Marine Res, Bremerhaven, Germany. [Han, Cliff; Kiss, Hajnalka; Kyrpides, Nikos; Meincke, Linda; Pati, Amrita; Thompson, Linda] Joint Genome Inst, San Francisco, CA USA. [Klenk, Hans-Peter; Petersen, Joern; Pradella, Silke; Pukall, Ruediger; Stackebrandt, Erko; von Jan, Mathias] German Collect Microorganisms & Cell Cultures, Braunschweig, Germany. [Liebl, Wolfgang] Tech Univ Munich, Munich, Germany. RP Wagner-Dobler, I (reprint author), Helmholtz Ctr Infect Res, Inhoffenstr 7, Braunschweig, Germany. EM iwd@helmholtz-hzi.de RI Liebl, Wolfgang/D-3766-2014; Kyrpides, Nikos/A-6305-2014; OI Liebl, Wolfgang/0000-0002-8421-2478; Kyrpides, Nikos/0000-0002-6131-0462; Drepper, Thomas/0000-0002-0096-8084 FU Marine Biotechnology [ZN1225, ZN2235]; Moore Foundation, USA FX Jonathan Eisen is most gratefully acknowledged for helpful comments on an earlier version of this paper. Many thanks to the computer department at HZI for providing the facilities for the genome jamboree, and to all employes at JGI for fast and efficient feedback and support at all times. Special thanks to Tracey Riggens at the Provasoli-Guillard Center for Culture of Marine Phytoplankton (CCMP), Maine, USA, and Maike Lorenz at the Experimental Phycology and Culture Collection of Algae (SAG), Gottingen, Germany, for sending the algal cultures so promptly! Finally, the skillful technical assistance of Bettina Elxnat is very much appreciated.; We thank the Ministry of Science and Culture (MWK), Lower Saxony, Germany and the Lower Saxonian Branch of the Volkswagen Foundation for financial support within the priority program on Marine Biotechnology (ZN1225) and within the program 'Comparative Genome Anlysis of Representative Members of the Roseobacter Clade' (ZN2235). The help of the Moore Foundation, USA, is gratefully acknowledged. Sequencing and finishing of D. shibae DFL12T were performed under the auspices of the US Department of Energy's Office of Science, Biological and Environmental Research Program and by the University of California, Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48, Lawrence Berkeley National Laboratory under contract No. DE-AC03-76SF00098 and Los Alamos National Laboratory under contract No. W-7405-ENG-36. NR 104 TC 91 Z9 368 U1 4 U2 53 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1751-7362 J9 ISME J JI ISME J. PD JAN PY 2010 VL 4 IS 1 BP 61 EP 77 DI 10.1038/ismej.2009.94 PG 17 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 540QD UT WOS:000273350200006 PM 19741735 ER PT B AU West, JB Kreuzer, HW Ehleringer, JR AF West, Jason B. Kreuzer, Helen W. Ehleringer, James R. BE West, JB Bowen, GJ Dawson, TE Tu, KP TI Approaches to Plant Hydrogen and Oxygen Isoscapes Generation SO ISOSCAPES: UNDERSTANDING MOVEMENT, PATTERN, AND PROCESS ON EARTH THROUGH ISOTOPE MAPPING LA English DT Article; Book Chapter ID WATER EXTRACTION METHOD; LIGHT ISOTOPIC-RATIOS; TREE-RING CELLULOSE; VEIN XYLEM WATER; LEAF WATER; D/H RATIOS; STABLE-ISOTOPES; ATMOSPHERIC CO2; N-ALKANES; ENVIRONMENTAL WATER C1 [West, Jason B.] Texas A&M Univ Syst, Texas AgriLife Res & Dept Ecosyst Sci & Managemen, College Stn, TX USA. [Kreuzer, Helen W.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Ehleringer, James R.] Univ Utah, Dept Biol, Salt Lake City, UT 84112 USA. RP West, JB (reprint author), Texas A&M Univ Syst, Texas AgriLife Res & Dept Ecosyst Sci & Managemen, College Stn, TX USA. EM jbwest@tamu.edu; helen.kreuzer@pnl.gov; ehleringer@biology.utah.edu NR 79 TC 12 Z9 12 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-90-481-3353-6 PY 2010 BP 161 EP 178 DI 10.1007/978-90-481-3354-3_8 D2 10.1007/978-90-481-3354-3 PG 18 WC Ecology; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA BMU09 UT WOS:000273569100008 ER PT B AU Miller, MA Cole, EI Tangyunyong, P AF Miller, M. A. Cole, E. I., Jr. Tangyunyong, P. GP ASM Int TI Characterization of Green and Ultraviolet LEDs by Laser-based FA Techniques SO ISTFA 2010: CONFERENCE PROCEEDINGS FROM THE 36TH INTERNATIONAL SYMPOSIUM FOR TESTING AND FAILURE ANALYSIS LA English DT Proceedings Paper CT 36th International Symposium for Testing and Failure Analysis (ISTFA 2010) CY NOV 14-18, 2010 CL Dallas, TX SP Elect Device Failure Anal Soc, ASM Int ID LIGHT-EMITTING-DIODES; RELIABILITY C1 [Miller, M. A.; Cole, E. I., Jr.; Tangyunyong, P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Miller, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mamill@sandia.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-041-5 PY 2010 BP 275 EP 280 PG 6 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Materials Science GA BGD90 UT WOS:000322498700052 ER PT S AU Orpe, AV Rycroft, CH Kudrolli, AA AF Orpe, Ashish V. Rycroft, Chris H. Kudrolli, Arshad A. BE Goddard, JD Jenkins, JT Giovine, P TI Shear induced diffusion in dense granular flows SO IUTAM-ISIMM SYMPOSIUM ON MATHEMATICAL MODELING AND PHYSICAL INSTANCES OF GRANULAR FLOWS SE AIP Conference Proceedings LA English DT Proceedings Paper CT IUTAM-ISIMM Symposium on Mathematical Modeling and Physical Instances of Granular Flows CY SEP 14-18, 2009 CL Reggio Calabria, ITALY SP IUTAM, ISIMM, Italian Inst Higher Math, US Natl Sci Fdn, Reg Council Reggio Calabria, Prov Reggio Calabria, Mediterranean Univ Reggio Calabria DE granular; diffusion; index matching; laser fluorescence; LAMMPS; DEM ID MODE ROTATING DRUMS; SELF-DIFFUSION; SMOOTH; FLUCTUATIONS; SUSPENSIONS; DYNAMICS; SLURRIES; PHYSICS; SOLIDS; MEDIA AB The dynamics of dense granular flows subjected to gravity induced shear are investigated experimentally using the refractive index matching technique. The system consists of grains flowing inside a bin with a rectangular cross-section and sheared by a rough boundary on one side and smooth boundaries on the remaining sides. The particles flow within a viscous interstitial liquid having the same refractive index as particles and are imaged in the bulk using laser fluorescence. The particle positions are identified very accurately and tracked over long durations to obtain the mean and fluctuating properties. The shear is observed to be non-linear and localized in a region of 3 to 4 particles near the boundary. The boundary imposes a packing order, and the grains are observed to flow in layers, parallel to the shearing boundary, which get progressively more disordered with distance from the walls. We have also carried out soft particle simulations in a equivalent system incorporating the Cundall-Strack contact model between the particles and ignoring the hydrodynamic effects of the interstitial liquid to understand the effect of particle friction coefficient, elasticity, contact model and polydispersity on the mean and fluctuating flow properties. We find the mean velocity and the number density of the particles as a function of flow cross-section and the particle fluctuation properties observed in the experiments and the simulations to in very good agreement after appropriate scaling. C1 [Orpe, Ashish V.] Natl Chem Lab, Div Chem Engn, Pune 411008, Maharashtra, India. [Orpe, Ashish V.; Kudrolli, Arshad A.] Clark Univ, Dept Phys, Worcester, MA 01610 USA. [Rycroft, Chris H.] Lawrence Berkeley Lab, Dept Math, Berkeley, CA 94720 USA. [Rycroft, Chris H.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. RP Orpe, AV (reprint author), Natl Chem Lab, Div Chem Engn, Pune 411008, Maharashtra, India. FU Director, Office of Science, Computational and Technology Research; U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DMS-0410110, DMS-070590]; Clark University [DMR-0605664]; National Chemical Laboratory under Institute Start-Up Grant [MLP013626] FX This work was supported by the Director, Office of Science, Computational and Technology Research, U.S. Department of Energy under Contract Nos. DE-AC02-05CH11231 and the National Science Foundation under grants DMS-0410110 and DMS-070590, Clark University under Grant No. DMR-0605664 and National Chemical Laboratory under Institute Start-Up Grant No. MLP013626. We are also grateful to the Scientific Cluster Support (SCS) program at the Lawrence Berkeley Laboratory. Ashish V. Orpe expresses his gratitude to the IUTAM-ISIMM symposium organizers for the invitation to give a lecture and also for the financial support provided for the travel. NR 52 TC 0 Z9 0 U1 1 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0772-5 J9 AIP CONF PROC PY 2010 VL 1227 BP 221 EP + DI 10.1063/1.3435393 PG 3 WC Physics, Mathematical SC Physics GA BQB16 UT WOS:000280550300020 ER PT S AU Wong, CY AF Wong, Cheuk-Yin BE Dagdug, L SandovalVillalbazo, A GarciaColin, LS TI Foundation of Hydrodynamics for Systems with Strong Interactions SO IV MEXICAN MEETING ON MATHEMATICAL AND EXPERIMENTAL PHYSICS: RELATIVISTIC FLUIDS AND BIOLOGICAL PHYSICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 4th Mexican Meeting on Mathematical and Experimental Physics CY JUL 19-23, 2010 CL Colegio Nacl, Mexico City, MEXICO SP Univ Autonoma Metropolitana, Colegio Nacl, CONACYT, DAAD, CINVESTAV IPN HO Colegio Nacl DE Schrodinger equation; Klein-Gordon equation; hydrodynamics ID HARTREE-FOCK APPROXIMATION; HEAVY-ION COLLISIONS; RELATIVISTIC HYDRODYNAMICS; NUCLEAR FLUID; DYNAMICS; SIGNATURE; FISSION AB For a dense and strongly interacting system, such as a nucleus or a strongly-coupled quark-gluon plasma, the foundation of hydrodynamics can be better found in the quantum description of constituents moving in the strong mean fields generated by all other particles. Using the result that the Schrodinger equation and the Klein-Gordon equation can be written in hydrodynamical forms, we find that the probability currents of the many-body system in the mean-field description obey a hydrodynamical equation with stress tensors arising from many contributions: quantum effects, mean-field interactions, and thermal fluctuations. The influence of various contributions to the hydrodynamical motion is expected to vary with the temperature, as the quantum and mean-field stress tensors playing more important roles at low and moderate temperatures. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37830 USA. RP Wong, CY (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37830 USA. OI Wong, Cheuk-Yin/0000-0001-8223-0659 NR 36 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0867-8 J9 AIP CONF PROC PY 2010 VL 1312 BP 39 EP 48 PG 10 WC Physics, Applied; Physics, Mathematical SC Physics GA BTH64 UT WOS:000286946900004 ER PT S AU Valdes-Parada, FJ Porter, ML Wood, BD AF Valdes-Parada, Francisco J. Porter, Mark L. Wood, Brian D. BE Dagdug, L SandovalVillalbazo, A GarciaColin, LS TI Bacterial Chemotaxis in Porous Media: Theory Derivation and Comparison with Experiments SO IV MEXICAN MEETING ON MATHEMATICAL AND EXPERIMENTAL PHYSICS: RELATIVISTIC FLUIDS AND BIOLOGICAL PHYSICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 4th Mexican Meeting on Mathematical and Experimental Physics CY JUL 19-23, 2010 CL Colegio Nacl, Mexico City, MEXICO SP Univ Autonoma Metropolitana, Colegio Nacl, CONACYT, DAAD, CINVESTAV IPN HO Colegio Nacl DE chemotaxis; porous media; upscaling; inverse problems ID MIGRATION AB Chemotaxis is the movement of organisms toward or away from the concentration gradient of a chemical species. Microbial chemotaxis has been shown to significantly increase contaminant degradation in subsurface environments with respect to traditional methods such as pump-and-treat. This type of transport phenomena often involves diffusion and convection along several scales. In this work we use the method of volume averaging to upscale the governing equations for in situ bioremediation by bacterial chemotaxis. The results are effective medium mass balance equations for both the bacteria and the chemical attractant. These equations are expressed in terms of average transport coefficients, which can be computed from the solution of the associated closure problems. For the bacteria, we introduce a total motility tensor and a total velocity vector, which are dependent upon the porous medium geometry, the fluid flow and the macroscale concentration and flux of the attractant. An attractive feature of this approach is that the transport coefficients can be computed a priori from performing experiments since they do not involve the use of adjustable coefficients. In addition, the necessary scaling laws, in terms of length-scale constraints and assumptions, which bound the applicability of the model are explicitly stated. The model was validated by comparing the transverse bacterial concentration with previously reported experimental measurements for E. coli HCB1 in a T-sensor. The results exhibited a maximum deviation of approximately 10% (in terms of the mean absolute error) with experimental data for several flow rates. These results suggest that the predictive multiscale approach presented here is reliable for modeling chemotaxis in porous media. C1 [Valdes-Parada, Francisco J.] Univ Autonoma Metropolitana Iztapalapa, Area Ingn & Recursos Energet, Mexico City 09340, DF, Mexico. [Porter, Mark L.] Los Alamos Natl Lab, Earth & Environm Sci, Los Alamos, NM 87545 USA. [Wood, Brian D.] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. RP Valdes-Parada, FJ (reprint author), Univ Autonoma Metropolitana Iztapalapa, Area Ingn & Recursos Energet, Mexico City 09340, DF, Mexico. RI Valdes-Parada, Francisco /H-8373-2014; Porter, Mark/B-4417-2011; OI Valdes-Parada, Francisco /0000-0003-4208-1075; Wood, Brian/0000-0003-3152-7852 FU National Science Foundation [0711505]; NSF-BES [0310097]; The Department of Energy, Office of Biological and Environmental Research (BER) [DE-FG02-07ER64417] FX This work was supported in part by the National Science Foundation, Earth Sciences Directorate, Hydrology Program, under grant 0711505 and NSF-BES program award 0310097, and in part by The Department of Energy, Office of Biological and Environmental Research (BER), Grant No. DE-FG02-07ER64417. NR 14 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0867-8 J9 AIP CONF PROC PY 2010 VL 1312 BP 131 EP + PG 2 WC Physics, Applied; Physics, Mathematical SC Physics GA BTH64 UT WOS:000286946900014 ER PT J AU Rahman, MR Itahashi, T Vlasenko, MP Vlasenko, LS Haller, EE Itoh, KM AF Rahman, Mohammad R. Itahashi, Tatsumasa Vlasenko, Marina P. Vlasenko, Leonid S. Haller, Eugene E. Itoh, Kohei M. TI Dynamic Nuclear Polarization of Si-29 Nuclei Induced by Li and Li-O Centers in Silicon SO JAPANESE JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRON-PARAMAGNETIC-RESONANCE; LITHIUM DONORS; QUANTUM COMPUTER; GERMANIUM; CRYSTALS AB Dynamic nuclear polarization (DNP) of Si-29 nuclear spins induced by saturation of electron paramagnetic resonance (EPR) transitions of lithium-related centers in float zone (FZ) grown silicon is reported. Both isolated Li and Li-O complex centers showed strong EPR absorption lines in the temperature range 3.4-10 K and led to very efficient orientation of Si-29 nuclear spins. The temperature dependence and time constant of Si-29 DNP are investigated in detail. The Si-29 DNP of 0.72% was achieved at 3.4K by excitation of the Li-O forbidden EPR transition under illumination, corresponding to a similar to 352 fold increase with respect to the thermal equilibrium polarization. (C) 2010 The Japan Society of Applied Physics C1 [Rahman, Mohammad R.; Itahashi, Tatsumasa; Itoh, Kohei M.] Keio Univ, Sch Fundamental Sci & Technol, Yokohama, Kanagawa 2238522, Japan. [Vlasenko, Marina P.; Vlasenko, Leonid S.] AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. [Haller, Eugene E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Rahman, MR (reprint author), Keio Univ, Sch Fundamental Sci & Technol, Yokohama, Kanagawa 2238522, Japan. EM rizwan.mme@gmail.com RI Itoh, Kohei/C-5738-2014 FU Ministry of Education, Culture, Sports, Science and Technology [18001002]; Special Coordination Funds for Promoting Science and Technology; JST-DFG; Funding Program for World-Leading Innovative R&D on Science and Technology FIRST; Global Center of Excellence at Keio University FX This work was supported in part by a Grant-in-Aid for Scientific Research of Specially Promoted Research (18001002) from the Ministry of Education, Culture, Sports, Science and Technology, in part by Special Coordination Funds for Promoting Science and Technology, in part by JST-DFG Strategic Cooperative Program on Nanoelectronics, in part by the Funding Program for World-Leading Innovative R&D on Science and Technology FIRST, and in part by a Grant-in-Aid for the Global Center of Excellence at Keio University. NR 30 TC 1 Z9 1 U1 0 U2 2 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. PY 2010 VL 49 IS 10 AR 103001 DI 10.1143/JJAP.49.103001 PG 5 WC Physics, Applied SC Physics GA 666TL UT WOS:000283142900034 ER PT S AU Coker, R AF Coker, Rob BE Garcia, PJV Ferreira, JM TI Laboratory Astrophysics and Scaling SO JETS FROM YOUNG STARS IV: FROM MODELS TO OBSERVATIONS AND EXPERIMENTS SE Lecture Notes in Physics LA English DT Article; Book Chapter ID NATIONAL-IGNITION-FACILITY; JETS; SIMULATIONS; INSTABILITIES; SIMILARITY; SUPERNOVAE; FRICTION; CRITERIA; PRODUCE; SHOCKS AB This chapter is a summary of lectures intended to introduce the concept of scaling to graduate students. Specifically, we address whether astrophysical phenomena may be addressed using 'scaled' versions of the same processes in experiments in the laboratory. Recent (and ongoing) advances in laser facility capabilities, such as higher temperatures and Mach numbers, are making such scaled hydrodynamical and even magneto-hydrodynamical experiments possible. The general concept of scaling, relevant equations, and sonic applications are presented. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Coker, R (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM robc@lanl.gov NR 38 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0075-8450 BN 978-3-642-02288-3 J9 LECT NOTES PHYS PY 2010 VL 793 BP 1 EP 29 DI 10.1007/978-3-642-02289-0_1 D2 10.1007/978-3-642-02289-0 PG 29 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BMM84 UT WOS:000272858100001 ER PT J AU Anderson, IE AF Anderson, Iver E. TI TMS Materials and Society Committee: Working Toward a Sustainable Future SO JOM LA English DT Editorial Material C1 [Anderson, Iver E.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Anderson, IE (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD JAN PY 2010 VL 62 IS 1 BP 11 EP 11 PG 1 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 542ZJ UT WOS:000273538000001 ER PT J AU Meyers, MA Remington, BA Maddox, B Bringa, EM AF Meyers, M. A. Remington, B. A. Maddox, B. Bringa, E. M. TI Laser Shocking of Materials: Toward the National Ignition Facility SO JOM LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; X-RAY-DIFFRACTION; EXTREME CONDITIONS; STRAIN-RATE; PRESSURE; COMPRESSION; NICKEL; METALS; WAVES AB In recent Years a powerful experimental tool has been added to the arsenal tit the disposal of the materials scientist investigating materials response at extreme regimes of strain rates, temperatures'. and pressures: laser compression. This technique has been applied succesfully to mono-, poly-, and nanocrystalline metals and the results have been compared with predictions from analytical models and molecular dynamics simulations. Special flash x-ray radiography and flash x-ray diffraction combined with laser Shock propagation, are yielding the strength of metals at strain rates oil the order of 10(7)-10(8) s(-1) and resolving details of the kinetics of phase transitions. A puzzling, result is that experiments, analysis, and simulations predict dislocation densities that are off by orders of magnitude. Other surprises undoubtedly await us as we explore even higher pressure/strain rate/temperature regimes enabled by the National Ignition Facility. C1 [Meyers, M. A.] Univ Calif San Diego, San Diego, CA 92103 USA. [Remington, B. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Maddox, B.; Bringa, E. M.] Univ Nacl Cuzo, Cuzo, Argentina. RP Meyers, MA (reprint author), Univ Calif San Diego, San Diego, CA 92103 USA. EM mameyers@ucsd.edu RI Bringa, Eduardo/F-8918-2011; Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 FU University of California Office of the President, ILSA; Lawrence Livermore National Laboratory [09SI-010] FX We thank Drs. BY Cao, H. Jarrnakani, and Mr CT Weifior help in experiments and simulations. Research funded by the University of California Office of the President, ILSA, and Lawrence Livermore National Laboratory under Laboratory Directed Research and Development Program grant 09SI-010. NR 27 TC 7 Z9 8 U1 2 U2 20 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD JAN PY 2010 VL 62 IS 1 BP 24 EP 30 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 542ZJ UT WOS:000273538000005 ER PT J AU Adolf, DB Chambers, RS Hance, B Elisberg, B AF Adolf, Douglas B. Chambers, Robert S. Hance, Brad Elisberg, Brenton TI Predicting the Initiation of Thermoset De-Bonding SO JOURNAL OF ADHESION LA English DT Article DE Adhesion; Epoxy; Napkin ring; Prediction; Viscoelasticity ID NONLINEAR VISCOELASTIC APPROACH; ENERGY CLOCK MODEL; THERMODYNAMICALLY CONSISTENT; GLASSY-POLYMERS; FAILURE; TRANSITION AB Napkin ring adhesion tests over a broad range of experimental conditions suggested a de-bonding mechanism for glassy thermosets associated with orun-awayo nonlinear viscoelasticity. Finite element analyses of these tests using a high fidelity, nonlinear constitutive equation were used to identify a single, scalar metric that consistently predicted the initiation of de-bonding, a critical value of the maximum principal strain in the ointerphaseo zone. In principle, such a de-bonding metric enables evaluation of design margins in practical components. C1 [Adolf, Douglas B.; Chambers, Robert S.; Hance, Brad; Elisberg, Brenton] Sandia Natl Labs, Mat Sci & Engn Ctr, Albuquerque, NM 87185 USA. RP Chambers, RS (reprint author), Sandia Corp, Engn Sci Ctr, Albuquerque, NM 87185 USA. EM rschamb@sandia.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 18 TC 4 Z9 4 U1 1 U2 10 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0021-8464 EI 1545-5823 J9 J ADHESION JI J. Adhes. PY 2010 VL 86 IS 11 BP 1111 EP 1131 AR PII 929317765 DI 10.1080/00218464.2010.519259 PG 21 WC Engineering, Chemical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 677QO UT WOS:000284007100003 ER PT J AU Kim, SH Dugger, MT AF Kim, Seong H. Dugger, Michael T. TI Untitled SO JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY LA English DT Editorial Material C1 [Kim, Seong H.] Penn State Univ, Dept Chem Engn, State Coll, PA 16804 USA. [Dugger, Michael T.] Sandia Natl Labs, Mat Sci & Engn Ctr, Albuquerque, NM 87185 USA. RP Kim, SH (reprint author), Penn State Univ, Dept Chem Engn, State Coll, PA 16804 USA. EM shkim@engr.psu.edu; mtdugge@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU BRILL ACADEMIC PUBLISHERS PI LEIDEN PA PLANTIJNSTRAAT 2, P O BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 0169-4243 J9 J ADHES SCI TECHNOL JI J. Adhes. Sci. Technol. PY 2010 VL 24 IS 15-16 BP 2337 EP 2340 DI 10.1163/016942410X527388 PG 4 WC Engineering, Chemical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 679HR UT WOS:000284153000002 ER PT J AU Asay, DB de Boer, MP Kim, SH AF Asay, D. B. de Boer, M. P. Kim, S. H. TI Equilibrium Vapor Adsorption and Capillary Force: Exact Laplace-Young Equation Solution and Circular Approximation Approaches SO JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY LA English DT Article DE Capillary forces; nanoscale; disjoining pressure; adsorption; equilibrium ID SILICON-OXIDE; NANOASPERITY CONTACTS; DISJOINING PRESSURE; AMBIENT CONDITIONS; WATER LAYERS; MICROSCOPY; ADHESION; SURFACE; PHASE; FILMS AB The capillary adhesion force of an asperity of radius R as a function of vapor partial pressure is calculated using exact and approximate methods assuming a continuum model. The equilibrium between the capillary meniscus at the asperity and the adsorbate film on the surface is discussed through a disjoining pressure term. It is found that the two methods agree very well over a wide partial pressure range. Without taking into account the effect of the adsorbate film, the theoretical calculation results do not show the experimental partial pressure dependence of the capillary force except near the saturation vapor condition. The experimental capillary force trend with partial pressure can be explained when the presence of the adsorbate film is included in the calculation. (C) Koninklijke Brill NV, Leiden, 2010 C1 [Asay, D. B.; Kim, S. H.] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. [de Boer, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [de Boer, M. P.] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15237 USA. RP Kim, SH (reprint author), Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. EM shkim@engr.psu.edu RI de Boer, Maarten/C-1525-2013 OI de Boer, Maarten/0000-0003-1574-9324 FU National Science Foundation [CMMI-0625493]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the National Science Foundation (Grant No. CMMI-0625493). 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 30 TC 19 Z9 19 U1 2 U2 15 PU BRILL ACADEMIC PUBLISHERS PI LEIDEN PA PLANTIJNSTRAAT 2, P O BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 0169-4243 J9 J ADHES SCI TECHNOL JI J. Adhes. Sci. Technol. PY 2010 VL 24 IS 15-16 BP 2363 EP 2382 DI 10.1163/016942410X508271 PG 20 WC Engineering, Chemical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 679HR UT WOS:000284153000004 ER PT J AU Lorenz, CD Chandross, M Grest, GS AF Lorenz, Christian D. Chandross, Michael Grest, Gary S. TI Large Scale Molecular Dynamics Simulations of Vapor Phase Lubrication for MEMS SO JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY LA English DT Article DE Molecular dynamics simulations; vapor phase lubrication; MEMS; nanotribology; AFM ID SELF-ASSEMBLED MONOLAYERS; MODEL HYDROPHILIC SURFACES; STICK-SLIP MOTION; TRIBOLOGICAL PROPERTIES; COMPUTER-SIMULATION; FORCE MICROSCOPY; SILICON-OXIDE; LIQUID WATER; FILMS; SHEAR AB While alkylsilane monolayers reduce both adhesion and friction in MEMS, experiments and simulations have shown that they are easily damaged by momentary contact even at low loads. Vapor phase alcohols appear to provide a potential solution to this problem, reducing friction in MEMS with no noticeable wear, and allowing devices to run for billions of cycles without failure. The underlying mechanisms behind both the reduction in friction as well as the healing of damage are however unclear. We report on the results of large scale molecular dynamics simulations aimed at understanding the tribology of vapor phase alcohols in contact with amorphous silica substrates. The healing mechanism is investigated by simulating asperity contact with a model AFM tip in contact with a monolayer of propanol on an amorphous silica substrate. We find that because of the low vapor pressure, alcohol molecules removed by shear contact remain close to the substrate, moving around the contact region to replenish molecules removed from the damage site. For comparison, the tribology of propanol and water confined between two opposing flat silica surfaces is also studied. (C) Koninklijke Brill NV, Leiden, 2010 C1 [Lorenz, Christian D.] Kings Coll London, Dept Phys, London WC2R 2LS, England. [Chandross, Michael; Grest, Gary S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lorenz, CD (reprint author), Kings Coll London, Dept Phys, London WC2R 2LS, England. EM chris.lorenz@kcl.ac.uk RI Lorenz, Christian/A-6996-2017 OI Lorenz, Christian/0000-0003-1028-4804 FU KCL Division of Engineering; Sandia National Laboratories; United States Department of Energy [DE-AC04-94AL85000] FX CL acknowledges the KCL Division of Engineering Start-Up funds for supporting this project. This work is 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 United States Department of Energy under contract DE-AC04-94AL85000. NR 44 TC 13 Z9 13 U1 4 U2 16 PU BRILL ACADEMIC PUBLISHERS PI LEIDEN PA PLANTIJNSTRAAT 2, P O BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 0169-4243 J9 J ADHES SCI TECHNOL JI J. Adhes. Sci. Technol. PY 2010 VL 24 IS 15-16 BP 2453 EP 2469 DI 10.1163/016942410X508163 PG 17 WC Engineering, Chemical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 679HR UT WOS:000284153000009 ER PT J AU Moore, NW Houston, JE AF Moore, Nathan W. Houston, J. E. TI The Pull-Off Force and the Work of Adhesion: New Challenges at the Nanoscale SO JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY LA English DT Article DE Nanomechanics; contact mechanics; pull-off force; work of adhesion; Interfacial Force Microscopy ID JKR-DMT TRANSITION; CAPILLARY ADHESION; ELASTIC SPHERES; ROUGH SURFACES; CONTACT; DEFORMATION; MICROSCOPE; MODEL; WATER; MECHANICS AB The pull-off force required to separate two surfaces has become a convenient metric for characterizing adhesion at the micro- and nanoscales using cantilever-based force sensors, such as an atomic force microscope (AFM), e.g., as a way to predict adhesion between materials used in MEMS/NEMS. Interfacial Force Microscopy (IFM) provides unique insight into this method, because its self-balancing force-feedback sensor avoids the snap-out instability of compliant sensors, and can estimate both the work of adhesion and the pull-off force that would be measured using a compliant cantilever. Here, IFM is used to illustrate the challenges of determining the work of adhesion from the pull-off force in a nanoscale geometry. Specifically, adhesion is evaluated between a conical, diamond indenter and three surfaces relevant to MEMS/NEMS adhesion problems: silicon, a model insulator and a compliant polymer surface. (C) Koninklijke Brill NV, Leiden, 2010 C1 [Moore, Nathan W.; Houston, J. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Moore, NW (reprint author), Sandia Natl Labs, POB 5800,MS 1415, Albuquerque, NM 87185 USA. EM nwmoore@sandia.gov FU Division of Materials Sciences and Engineering; Office of Basic Energy Sciences; U.S. Department of Energy; Sandia National Laboratories; Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Prof. Hongbing Lu and Direk Cakiroglu for providing the PVAc and for useful discussions, and Maarten de Boer for reviewing this manuscript. This work was supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy and by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 46 TC 5 Z9 5 U1 1 U2 21 PU BRILL ACADEMIC PUBLISHERS PI LEIDEN PA PLANTIJNSTRAAT 2, P O BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 0169-4243 J9 J ADHES SCI TECHNOL JI J. Adhes. Sci. Technol. PY 2010 VL 24 IS 15-16 BP 2531 EP 2544 DI 10.1163/016942410X508325 PG 14 WC Engineering, Chemical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 679HR UT WOS:000284153000013 ER PT J AU Lauritzen, PH Jablonowski, C Taylor, MA Nair, RD AF Lauritzen, Peter H. Jablonowski, Christiane Taylor, Mark A. Nair, Ramachandran D. TI Rotated Versions of the Jablonowski Steady-State and Baroclinic Wave Test Cases: A Dynamical Core Intercomparison SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article AB The Jablonowski test case is widely used for debugging and evaluating the numerical characteristics of global dynamical cores that describe the fluid dynamics component of Atmospheric General Circulation Models. The test is defined in terms of a steady-state solution to the equations of motion and an overlaid perturbation that triggers a baroclinically unstable wave. The steady-state initial conditions are zonally symmetric. Therefore, the test case design has the potential to favor models that are built upon regular latitude-longitude or Gaussian grids. Here we suggest rotating the computational grid so that the balanced flow is no longer aligned with the computational grid latitudes. Ideally the simulations should be invariant under rotation of the computational grid. Note that the test case only requires an adjustment of the Coriolis parameter in the model code. The rotated test case has been exercised by six dynamical cores. In addition, two of the models have been tested with different vertical coordinates resulting in a total of eight model variants. The models are built with different computational grids (regular latitude-longitude, cubed-sphere, icosahedral hexagonal/triangular) and use very different numerical schemes. The test-case is a useful tool for debugging, assessing the degree of anisotropy in the numerical methods and grids, and evaluating the numerical treatment of the pole points since the rotated test case directs the flow directly over the geographical poles. Special treatments such as polar filters are therefore more exposed in this rotated test case. C1 [Lauritzen, Peter H.; Nair, Ramachandran D.] Natl Ctr Atmospher Res, Inst Math Appl Geosci, Boulder, CO 80305 USA. [Jablonowski, Christiane] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Taylor, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lauritzen, PH (reprint author), Natl Ctr Atmospher Res, Inst Math Appl Geosci, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM pel@ucar.edu RI Jablonowski, Christiane/I-9068-2012 OI Jablonowski, Christiane/0000-0003-0407-0092 FU NCAR ASP; NASA; DOE SciDAC; University of Michigan; NCAR CISL division FX The data presented in this paper was produced during the NCAR Advanced Study Program (ASP) summer colloquium on Numerical Techniques for Global Atmospheric Models held at NCAR in Boulder, June 1-13, 2008. Funding was provided by NCAR ASP, NASA, DOE SciDAC and University of Michigan. We thank all the modeling mentors for setting up their models and guiding the students through the process of running their models during the colloquium. The modeling mentors were: William Putman, William Sawyer, Maxwell Kelley, Rahman Syed, Almut Gassmann, Jochen Forstner, Detlev Majewski, Robert Walko, Chih-Chieh (Jack) Chen, Mark Taylor, Ramachandran D. Nair, Peter H. Lauritzen, Ross Heikes, Jean-Michel Campin. Thanks to Jerry Olson and David Williamson for assisting setting up the CAM_EUL model for the test cases. We thank Dennis Shea for assisting with NCL graphics before, after and during the colloquium. Special thanks goes to the NCAR CISL division for the generous support of the colloquium, especially Ginger Caldwell, Mike Page, Sylvia Murphy, Cecelia DeLuca, Luca Cinquini, Julien Chastang, Don Middleton, Michelle Smart and Richard Loft. Thanks for Ross Heikes and Rashmi Mittal for providing data to plot the icosahedral grid lines. Thanks to Sylvia Murphy for encouraging the metadata classification of the dynamical core scientific properties. Thanks to Almut Gassman, Ross Heikes, David L. Williamson and two anonymous reviewers for their helpful comments on the manuscript. NR 54 TC 25 Z9 25 U1 1 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PY 2010 VL 2 AR 15 DI 10.3894/JAMES.2010.2.15 PG 34 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA V22UG UT WOS:000208299500015 ER PT J AU Strawa, AW Kirchstetter, TW Puxbaum, H AF Strawa, A. W. Kirchstetter, T. W. Puxbaum, H. TI Special Issue for the 9th International Conference on Carbonaceous Particles in the Atmosphere SO JOURNAL OF AEROSOL SCIENCE LA English DT Editorial Material ID ORGANIC AEROSOLS; CLIMATE; QUANTIFICATION; HEALTH C1 [Strawa, A. W.] NASA, Ames Res Ctr, Div Earth Sci, Moffett Field, CA 94035 USA. [Kirchstetter, T. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Puxbaum, H.] Vienna Univ Technol, A-1040 Vienna, Austria. RP Strawa, AW (reprint author), NASA, Ames Res Ctr, Div Earth Sci, Moffett Field, CA 94035 USA. EM Anthony.W.Strawa@nasa.gov NR 41 TC 2 Z9 2 U1 0 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0021-8502 EI 1879-1964 J9 J AEROSOL SCI JI J. Aerosol. Sci. PD JAN PY 2010 VL 41 IS 1 SI SI BP 1 EP 4 DI 10.1016/j.jaerosci.2009.09.006 PG 4 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 559XZ UT WOS:000274866800001 ER PT J AU Ban-Weiss, GA Lunden, MM Kirchstetter, TW Harley, RA AF Ban-Weiss, George A. Lunden, Melissa M. Kirchstetter, Thomas W. Harley, Robert A. TI Size-resolved particle number and volume emission factors for on-road gasoline and diesel motor vehicles SO JOURNAL OF AEROSOL SCIENCE LA English DT Article; Proceedings Paper CT 9th International Conference on Carbonaceous Particles in the Atmosphere CY 2009 CL Berkeley, CA DE Particle number; Particulate; Motor vehicle; Emission; Size distribution; Tunnel; Gasoline; Diesel; Engine; Particle volume ID PARTICULATE AIR-POLLUTION; LABORATORY EVALUATION; COMBUSTION AEROSOLS; BLACK CARBON; MATTER; DISTRIBUTIONS AB Average particle number concentrations and size distributions from similar to 61,000 light-duty (LD) vehicles and similar to 2500 medium-duty (MD) and heavy-duty (HD) trucks were measured during the summer of 2006 in a San Francisco Bay area traffic tunnel. One of the traffic bores contained only LD vehicles, and the other contained mixed traffic, allowing pollutants to be apportioned between LD vehicles and diesel trucks. Particle number emission factors (particle diameter D-p > 3 nm) were found to be (3.9 +/- 1.4)x10(14) and (3.3 +/- 1.3)x10(15) # kg(-1) fuel burned for LD vehicles and diesel trucks, respectively. Size distribution measurements showed that diesel trucks emitted at least an order of magnitude more particles for all measured sizes (10 < D-p < 290 nm) per unit mass of fuel burned. The relative importance of LD vehicles as a source of particles increased as D-p decreased. Comparing the results from this study to previous measurements at the same site showed that particle number emission factors have decreased for both LD vehicles and diesel trucks since 1997. Integrating size distributions with a volume weighting showed that diesel trucks emitted 28 +/- 11 times more particles by volume (per unit fuel) than LD vehicles, consistent with the diesel/gasoline emission factor ratio for PM2.5 mass measured using gravimetric analysis of Teflon filters, reported in a companion paper. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Ban-Weiss, George A.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Lunden, Melissa M.; Kirchstetter, Thomas W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Atmospher Sci, Berkeley, CA 94720 USA. [Harley, Robert A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Ban-Weiss, GA (reprint author), Carnegie Inst, Dept Global Ecol, 260 Panama St, Stanford, CA 94305 USA. EM georgebw@stanford.edu RI Harley, Robert/C-9177-2016; OI Harley, Robert/0000-0002-0559-1917; Ban-Weiss, George/0000-0001-8211-2628 NR 25 TC 40 Z9 41 U1 2 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0021-8502 J9 J AEROSOL SCI JI J. Aerosol. Sci. PD JAN PY 2010 VL 41 IS 1 SI SI BP 5 EP 12 DI 10.1016/j.jaerosci.2009.08.001 PG 8 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 559XZ UT WOS:000274866800002 ER PT J AU Strawa, AW Kirchstetter, TW Hallar, AG Ban-Weiss, GA McLaughlin, JP Harley, RA Lunden, MM AF Strawa, A. W. Kirchstetter, T. W. Hallar, A. G. Ban-Weiss, G. A. McLaughlin, J. P. Harley, R. A. Lunden, M. M. TI Optical and physical properties of primary on-road vehicle particle emissions and their implications for climate change SO JOURNAL OF AEROSOL SCIENCE LA English DT Article; Proceedings Paper CT 9th International Conference on Carbonaceous Particles in the Atmosphere CY 2009 CL Berkeley, CA DE Aerosol optical properties; Vehicle; Tunnel; Size distribution ID NUMBER SIZE DISTRIBUTIONS; BLACK CARBON PARTICLES; LABORATORY EVALUATION; COMBUSTION AEROSOLS; LIGHT-ABSORPTION; SOOT PARTICLES; MOTOR-VEHICLES; DIESEL; GASOLINE; EXHAUST AB During the summers of 2004 and 2006, extinction and scattering coefficients of particle emissions inside a San Francisco Bay Area roadway tunnel were measured using a combined cavity ring-down and nephelometer instrument. Particle size distributions and humidification were also measured, as well as several gas phase species. Vehicles in the tunnel traveled up a 4% grade at a speed of approximately 60 km h(-1). The traffic situation in the tunnel allows the apportionment of emission factors between light duty gasoline vehicles and diesel trucks. Cross-section emission factors for optical properties were determined for the apportioned vehicles to be consistent with gas phase and particulate matter emission factors. The absorption emission factor (the absorption cross-section per mass of fuel burned) for diesel trucks (4.4 +/- 0.79 m(2) kg(-1)) was 22 times larger than for light-duty gasoline vehicles (0.20 +/- 0.05 m(2) kg(-1)). The single scattering albedo of particles-which represents the fraction of incident light that is scattered as opposed to absorbed-was 0.2 for diesel trucks and 0.3 for light duty gasoline vehicles. These facts indicate that particulate matter from motor vehicles exerts a positive (i.e., warming) radiative climate forcing. Average particulate mass absorption efficiencies for diesel trucks and light duty gasoline vehicles were 3.14 +/- 0.88 m(2) g(PM)(-1) and 2.9 +/- 1.07 m(2) g(PM)(-1), respectively. Particle size distributions and optical properties were insensitive to increases in relative humidity to values in excess of 90%, reinforcing previous findings that freshly emitted motor vehicle particulate matter is hydrophobic. Published by Elsevier Ltd. C1 [Strawa, A. W.; Hallar, A. G.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Kirchstetter, T. W.; Lunden, M. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Atmospher Sci, Berkeley, CA 94720 USA. [Ban-Weiss, G. A.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [McLaughlin, J. P.; Harley, R. A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Strawa, AW (reprint author), NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. EM Anthony.W.Strawa@nasa.gov RI Hallar, Anna Gannet/I-9104-2012; Harley, Robert/C-9177-2016; OI Hallar, Anna Gannet/0000-0001-9972-0056; Harley, Robert/0000-0002-0559-1917; Ban-Weiss, George/0000-0001-8211-2628 NR 63 TC 18 Z9 19 U1 2 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0021-8502 EI 1879-1964 J9 J AEROSOL SCI JI J. Aerosol. Sci. PD JAN PY 2010 VL 41 IS 1 SI SI BP 36 EP 50 DI 10.1016/j.jaerosci.2009.08.010 PG 15 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 559XZ UT WOS:000274866800005 ER PT J AU Riemer, N West, M Zaveri, R Easter, R AF Riemer, Nicole West, Matthew Zaveri, Rahul Easter, Richard TI Estimating black carbon aging time-scales with a particle-resolved aerosol model SO JOURNAL OF AEROSOL SCIENCE LA English DT Article; Proceedings Paper CT 9th International Conference on Carbonaceous Particles in the Atmosphere CY 2009 CL Berkeley, CA DE Black carbon; Aerosol aging; Mixing state; CCN ID COUPLED CHEMICAL-REACTIONS; DUTY DIESEL VEHICLES; STOCHASTIC SIMULATION; LABORATORY EVALUATION; COMBUSTION AEROSOLS; HYGROSCOPIC GROWTH; ORGANIC AEROSOL; ON-ROAD; CLOUD; SOOT AB Understanding the aging process of aerosol particles is important for assessing their chemical reactivity, cloud condensation nuclei activity, radiative properties and health impacts. in this study we investigate the aging of black carbon containing particles in an idealized urban plume using a new approach, the particle-resolved aerosol model PartMC-MOSAIC. We present a method to estimate aging time-scales using an aging criterion based on cloud condensation nuclei activation. The results show a separation into a daytime regime where condensation dominates and a nighttime regime where coagulation dominates. There is also a strong dependence on supersaturation threshold. For the chosen urban plume scenario and supersaturations ranging from 0.1% to 1%, the aging time-scales vary between 11 and 0.068 h during the day, and between 54 and 6.4 h during the night. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Riemer, Nicole] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA. [West, Matthew] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA. [Zaveri, Rahul; Easter, Richard] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Riemer, N (reprint author), Univ Illinois, Dept Atmospher Sci, 105 S Gregory Ave, Urbana, IL 61801 USA. EM nriemer@illinois.edu RI West, Matthew/A-7398-2012; OI West, Matthew/0000-0002-7605-0050; Zaveri, Rahul/0000-0001-9874-8807 NR 51 TC 52 Z9 52 U1 7 U2 30 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0021-8502 EI 1879-1964 J9 J AEROSOL SCI JI J. Aerosol. Sci. PD JAN PY 2010 VL 41 IS 1 SI SI BP 143 EP 158 DI 10.1016/j.jaerosci.2009.08.009 PG 16 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 559XZ UT WOS:000274866800014 ER PT J AU Tost, H Ruf, M Schmal, C Schulze, TG Knorr, C Vollmert, C Bosshenz, K Ende, G Meyer-Lindenberg, A Henn, FA Rietschel, M AF Tost, Heike Ruf, Matthias Schmael, Christine Schulze, Thomas G. Knorr, Carolin Vollmert, Christian Boesshenz, Katja Ende, Gabriele Meyer-Lindenberg, Andreas Henn, Fritz A. Rietschel, Marcella TI Prefrontal-temporal gray matter deficits in bipolar disorder patients with persecutory delusions SO JOURNAL OF AFFECTIVE DISORDERS LA English DT Article DE Bipolar disorder; Persecutory delusions; Voxel-based morphometry; Gray matter; Cerebrospinal fluid; Schizophrenia ID VOXEL-BASED MORPHOMETRY; DIAGNOSTIC BOUNDARIES; BRAIN MORPHOMETRY; SCHIZOPHRENIA; PSYCHOSIS; METAANALYSIS; VOLUME; SYMPTOMS; MONKEYS; ILLNESS AB Objectives: Although brain structural deficits have been repeatedly associated with bipolar disorder (BD), inconsistency in morphometric results has been a feature of neuroimaging studies. We hypothesize that this discrepancy is related to the heterogeneity of BID, and examine the question of whether or not more homogeneous clinical subgroups display a more coherent pattern of morphometric abnormalities. Methods: In a case-control design, we examined differences in gray matter (GM), white matter (WM) and cerebrospinal fluid (CSF) concentration in 42 BD patients and 42 healthy matched controls using optimized voxel-based morphometry (VBM). Subgroup analyses of patients with a lifetime history of psychotic symptoms (BDP, n = 30) and patients with mood-incongruent psychotic symptoms in the form of persecutory delusions (BDPD, n = 15) were performed to accord with previous genetic findings. Results: Analysis of the total BID sample was largely inconclusive, but the BDPD patient subgroup displayed a widespread pattern of significant decreases in GM concentration in the dorsolateral prefrontal (DLPFC), temporal and cingulate cortices, and a significant CSF increase in the adjacent outer ventricular sulci. Comparison of BDPD patients versus BD and BDP patients without persecutory delusions revealed a significant GM decrease in the left DLPFC for the former group. Conclusions: BDPD show pronounced structural abnormalities of the prefrontal and temporal lobes which are similar to the deficits previously reported for schizophrenia (SCZ). Our findings suggest that stratification based solely on psychotic symptoms is insufficient for the differentiation of BD into biologically meaningful subgroups, but also question the pathophysiological validity of the dichotomy in classification between schizophrenia and BD. (C) 2009 Elsevier B.V. All rights reserved. C1 [Tost, Heike; Ruf, Matthias; Ende, Gabriele] Cent Inst Mental Hlth, Dept Neuroimaging, D-68159 Mannheim, Germany. [Tost, Heike; Schmael, Christine; Schulze, Thomas G.; Knorr, Carolin; Boesshenz, Katja; Rietschel, Marcella] Cent Inst Mental Hlth, Div Genet Epidemiol Psychiat, D-68159 Mannheim, Germany. [Vollmert, Christian] Cent Inst Mental Hlth, Dept Addict Behav & Addict Med, D-68159 Mannheim, Germany. [Meyer-Lindenberg, Andreas; Henn, Fritz A.] Cent Inst Mental Hlth, Dept Psychiat, D-68159 Mannheim, Germany. [Henn, Fritz A.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Tost, H (reprint author), Cent Inst Mental Hlth, Dept Neuroimaging, Sq J5, D-68159 Mannheim, Germany. EM heike.tost@zi-mannheim.de RI Schulze, Thomas/H-2157-2013; Meyer-Lindenberg, Andreas/H-1076-2011 OI Meyer-Lindenberg, Andreas/0000-0001-5619-1123 FU Federal Ministry of Education and Research (BMBF) FX This work was supported by grants from the National German Genome Research Network (NGFN) of the Federal Ministry of Education and Research (BMBF). NGFN and BMBF had no further role in study design; in the collection, analysis and interpretation of data: in the writing of the report; and in the decision to submit the paper for publication. NR 45 TC 29 Z9 29 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-0327 J9 J AFFECT DISORDERS JI J. Affect. Disord. PD JAN PY 2010 VL 120 IS 1-3 BP 54 EP 61 DI 10.1016/j.jad.2009.04.009 PG 8 WC Clinical Neurology; Psychiatry SC Neurosciences & Neurology; Psychiatry GA 547RP UT WOS:000273907100008 PM 19419772 ER PT J AU Schilling, GD Ray, SJ Sperline, RP Denton, MB Barinaga, CJ Koppenaal, DW Hieftje, GM AF Schilling, Gregory D. Ray, Steven J. Sperline, Roger P. Denton, M. Bonner Barinaga, Charles J. Koppenaal, David W. Hieftje, Gary M. TI Optimization of Ag isotope-ratio precision with a 128-Channel array detector coupled to a Mattauch-Herzog mass spectrograph SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID EARLY DIFFERENTIATION; EARTHS MANTLE; SPECTROMETRY; PLASMA AB Isotope-ratio measurements are necessary in a wide range of applications. The precision of these measurements is of utmost importance because it governs the ability to distinguish differences between samples. Often, simultaneous isotope detection is necessary to reach the precision values needed for an analysis to be conclusive. Furthermore, the more isotope ratios that can be precisely determined at once, the better the chances of distinguishing between samples. Therefore, detector arrays, able to simultaneously monitor a broad range of isotopes, are attractive. Such an array detector, termed the focal plane camera (FPC), has been shown to be capable of achieving impressive precision values (0.02% RSD) within relatively short integration times (200 s). However, because the channels of the FPC array detector are inherently discrete, optimization of peak integration methods is important. This paper compares isotope-ratio precision values based on different peak integration methods of raw and zero-filled interpolated data. Also, problems associated with peak drift are explored and the use of flat-topped peak shapes for improved isotope-ratio precision levels are investigated. C1 [Schilling, Gregory D.; Ray, Steven J.; Hieftje, Gary M.] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Sperline, Roger P.; Denton, M. Bonner] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. [Barinaga, Charles J.; Koppenaal, David W.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Schilling, GD (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. EM gschilli@indiana.edu OI Ray, Steven/0000-0001-5675-1258 FU U.S. Department of Energy [DE-AC06-76RLO-1830] FX Support for this work was provided by the U.S. Department of Energy, Office of Nonproliferation Research and Engineering. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the Department of Energy under Contract DE-AC06-76RLO-1830. NR 21 TC 9 Z9 10 U1 1 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PY 2010 VL 25 IS 3 BP 322 EP 327 DI 10.1039/b914052b PG 6 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA 561FP UT WOS:000274961600008 ER PT J AU Rubinshtein, AA Schilling, GD Ray, SJ Sperline, RP Denton, MB Barinaga, CJ Koppenaal, DW Hieftje, GM AF Rubinshtein, Arnon A. Schilling, Gregory D. Ray, Steven J. Sperline, Roger P. Denton, M. Bonner Barinaga, Charles J. Koppenaal, David W. Hieftje, Gary M. TI Characterization of a third-generation Faraday-strip array detector coupled to a Mattauch-Herzog geometry mass spectrograph with a dc-glow discharge ionization source SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID PLASMA; SPECTROMETER; CAPABILITIES; PERFORMANCE AB A third-generation Faraday-strip array detector has been coupled to a Mattauch-Herzog mass spectrometer and dc glow-discharge ionization source. This combination offers simultaneous determination of multiple elements directly from solid samples and provides superior resolving power and improved limits of detection over previous generations of array detectors. With the third-generation detector array, resolving power is limited only by the mass spectrometer and not by the array. Because of this enhanced resolution, limits of detection, especially for higher mass-to-charge ratios, were improved. Isotope-ratio precision was found to be 0.07% RSD on average and quantitative response was linear over 5 orders of magnitude. C1 [Schilling, Gregory D.; Ray, Steven J.; Hieftje, Gary M.] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Sperline, Roger P.; Denton, M. Bonner] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. [Barinaga, Charles J.; Koppenaal, David W.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hieftje, GM (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. OI Ray, Steven/0000-0001-5675-1258 FU U.S. Department of Energy, Office of Nonproliferation Research and Engineering [DE-AC06-76RLO-1830] FX Support for this work was provided by the U.S. Department of Energy, Office of Nonproliferation Research and Engineering. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the Department of Energy under Contract DE-AC06-76RLO-1830. NR 12 TC 12 Z9 13 U1 0 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PY 2010 VL 25 IS 5 BP 735 EP 738 DI 10.1039/b913118c PG 4 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA 588QA UT WOS:000277086900020 ER PT J AU Mernild, SH Liston, GE AF Mernild, Sebastian H. Liston, Glen E. TI The Influence of Air Temperature Inversions on Snowmelt and Glacier Mass Balance Simulations, Ammassalik Island, Southeast Greenland SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID BLOWING-SNOW; ICE-SHEET; MITTIVAKKAT GLACIER; COMPLEX TERRAIN; ENERGY-BALANCE; MODEL; MELT; EVOLUTION; COASTAL; BASIN AB In many applications, a realistic description of air temperature inversions is essential for accurate snow and glacier ice melt, and glacier mass-balance simulations. A physically based snow evolution modeling system (SnowModel) was used to simulate 8 yr (1998/99-2005/06) of snow accumulation and snow and glacier ice ablation from numerous small coastal marginal glaciers on the SW part of Ammassalik Island in SE Greenland. These glaciers are regularly influenced by inversions and sea breezes associated with the adjacent relatively low temperature and frequently ice-choked fjords and ocean. To account for the influence of these inversions on the spatiotemporal variation of air temperature and snow and glacier melt rates, temperature inversion routines were added to MircoMet, the meteorological distribution submodel used in SnowModel. The inversions were observed and modeled to occur during 84% of the simulation period. Modeled inversions were defined not to occur during days with strong winds and high precipitation rates because of the potential of inversion breakup. Field observations showed inversions to extend from sea level to approximately 300 m MSL, and this inversion level was prescribed in the model simulations. Simulations with and without the inversion routines were compared. The inversion model produced air temperature distributions with warmer lower-elevation areas and cooler higher-elevation areas than without inversion routines because of the use of cold sea-breeze-based temperature data from underneath the inversion. This yielded an up to 2 weeks earlier snowmelt in the lower areas and up to 1-3 weeks later snowmelt in the higher-elevation areas of the simulation domain. Averaged mean annual modeled surface mass balance for all glaciers (mainly located above the inversion layer) was -720 +/- 620 mm w.eq.yr(-1) (w.eq. is water equivalent) for inversion simulations, and -880 +/- 620 mm w.eq.yr(-1) without the inversion routines, a difference of 160 mm w.eq.yr(-1). The annual glacier loss for the two simulations was 50.7 x 10(6) and 64.4 x 10(6) m(3) yr(-1) for all glaciers-a difference of similar to 21%. The average equilibrium line altitude (ELA) for all glaciers in the simulation domain was located at 875 and 900 m MSL for simulations with or without inversion routines, respectively. C1 [Mernild, Sebastian H.] Univ Alaska, Int Arctic Res Ctr, Fairbanks, AK 99701 USA. [Mernild, Sebastian H.] Univ Alaska, Water & Environm Res Ctr, Fairbanks, AK 99701 USA. [Liston, Glen E.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA. RP Mernild, SH (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods CCS 2, POB 1663, Los Alamos, NM 87545 USA. EM mernild@lanl.gov FU University of Alaska Presidential IPY Postdoctoral Foundation; University of Alaska Fairbanks (UAF) Office of the Vice Chancellor for Research, Office of the Director at the International Arctic Research Center, UAF; Water Environmental Research Center, UAF FX We extend a very special thanks to Jessica D. Lundquist, University of Washington, and the two anonymous reviewers for their insightful critique of this article. Thanks are given to the Cooperative Institute for Research in the Atmosphere, Colorado State University, for hosting the first author during October 2007 and February 2008, and the Faculty of Science and Institute of Low Temperature Science, Hokkaido University, Japan, for hosting the first author from April through July 2008. Thanks are also given to the Department of Geography and Geology, University of Copenhagen, for providing the input data, and to the Danish Meteorological Institute for providing WMO synoptic meteorological data from the station in Tasiilaq. This work was supported by grants from the University of Alaska Presidential IPY Postdoctoral Foundation, the University of Alaska Fairbanks (UAF) Office of the Vice Chancellor for Research, Office of the Director at the International Arctic Research Center, UAF, and the Water Environmental Research Center, UAF, and was carried out during the first author's IPY Post-Doctoral Program at the UAF. NR 67 TC 26 Z9 26 U1 0 U2 13 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD JAN PY 2010 VL 49 IS 1 BP 47 EP 67 DI 10.1175/2009JAMC2065.1 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 555UN UT WOS:000274541600004 ER PT J AU Graf, J Hellmann, S Jozwiak, C Smallwood, CL Hussain, Z Kaindl, RA Kipp, L Rossnagel, K Lanzara, A AF Graf, J. Hellmann, S. Jozwiak, C. Smallwood, C. L. Hussain, Z. Kaindl, R. A. Kipp, L. Rossnagel, K. Lanzara, A. TI Vacuum space charge effect in laser-based solid-state photoemission spectroscopy SO JOURNAL OF APPLIED PHYSICS LA English DT Article DE gold; laser materials processing; photoelectron spectra; space charge ID ENERGY-SPECTRUM; GUN AB We report a systematic measurement of the space charge effect observed in the few-picosecond laser pulse regime in laser-based solid-state photoemission spectroscopy experiments. The broadening and the shift of a gold Fermi edge as a function of spot size, laser power, and emission angle are characterized for pulse lengths of 6 ps and 6 eV photon energy. The results are used as a benchmark for an N-body numerical simulation and are compared to different regimes used in photoemission spectroscopy. These results provide an important reference for the design of time- and angle-resolved photoemission spectroscopy setups and next-generation light sources. C1 [Graf, J.; Jozwiak, C.; Kaindl, R. A.; Lanzara, A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Graf, J.; Jozwiak, C.; Smallwood, C. L.; Lanzara, A.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Hellmann, S.; Kipp, L.; Rossnagel, K.] Univ Kiel, Inst Expt & Appl Phys, D-24098 Kiel, Germany. [Hussain, Z.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Lanzara, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM alanzara@lbl.gov RI Smallwood, Christopher/D-4925-2011; Rossnagel, Kai/F-8822-2011 OI Smallwood, Christopher/0000-0002-4103-8748; Rossnagel, Kai/0000-0001-5107-0090 FU Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U. S. Department of Energy [DE-AC02-05CH11231]; MURI program of the Air Force Office of Scientific Research [FA9550-04-1-0242] FX Laser-ARPES measurements, data analysis and the laser-ARPES chamber setup were 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. Parts of the laser-ARPES setup and partial support for J. G. were provided by a MURI program of the Air Force Office of Scientific Research, Grant No. FA9550-04-1-0242. NR 11 TC 26 Z9 27 U1 1 U2 25 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 JAN 1 PY 2010 VL 107 IS 1 AR 014912 DI 10.1063/1.3273487 PG 7 WC Physics, Applied SC Physics GA 544WF UT WOS:000273689600125 ER PT J AU Hansel, RA Desai, SK Allison, SW Heyes, AL Walker, DG AF Hansel, Rachael A. Desai, S. K. Allison, S. W. Heyes, A. L. Walker, D. G. TI Emission lifetimes of europium-doped pyrochlores for phosphor thermometry SO JOURNAL OF APPLIED PHYSICS LA English DT Article DE europium; lanthanum compounds; optical constants; phonons; phosphors; photoluminescence; thermometers ID THERMAL BARRIER COATINGS; TEMPERATURE; LUMINESCENCE AB The luminescent lifetime of La(2)Zr(2)O(7) and La(2)Hf(2)O(7) has been determined as a function of temperature. We have shown that the luminescence of both materials can be used to determine the temperature of a surface up to 1073 K. The results are qualitatively explained via multiphonon emission. Phonon energies and the number of phonons needed to cross the energy gap are estimated. The results are useful in the design of phosphors for noncontact thermometry in high-temperature applications. C1 [Hansel, Rachael A.] Vanderbilt Univ, Interdisciplinary Mat Sci Program, Nashville, TN 37212 USA. [Desai, S. K.; Walker, D. G.] Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37212 USA. [Allison, S. W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Heyes, A. L.] Univ London Imperial Coll Sci Technol & Med, Dept Mech Engn, London SW7 2AZ, England. RP Hansel, RA (reprint author), Vanderbilt Univ, Interdisciplinary Mat Sci Program, Nashville, TN 37212 USA. EM greg.walker@vanderbilt.edu RI Walker, Don/B-3718-2012; OI Walker, Don/0000-0002-6061-048X; Walker, David/0000-0002-1276-4505 NR 14 TC 8 Z9 8 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 1 PY 2010 VL 107 IS 1 AR 016101 DI 10.1063/1.3275871 PG 3 WC Physics, Applied SC Physics GA 544WF UT WOS:000273689600126 ER PT J AU Huang, H Asay, JR AF Huang, H. Asay, J. R. TI Reshock and release response of aluminum single crystal (vol 101, 063550, 2007) SO JOURNAL OF APPLIED PHYSICS LA English DT Correction DE aluminium C1 Washington State Univ, Inst Shock Phys, Pullman, WA 99164 USA. Washington State Univ, Dept Phys, Pullman, WA 99164 USA. RP Asay, JR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jrasay@sadia.gov NR 1 TC 1 Z9 1 U1 2 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 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 1 PY 2010 VL 107 IS 1 AR 019901 DI 10.1063/1.3275574 PG 1 WC Physics, Applied SC Physics GA 544WF UT WOS:000273689600128 ER PT J AU Jellison, GE Auluck, S Singh, DJ Boatner, LA AF Jellison, G. E., Jr. Auluck, S. Singh, D. J. Boatner, L. A. TI Optical properties of bismuth germanate SO JOURNAL OF APPLIED PHYSICS LA English DT Article DE absorption coefficients; bismuth compounds; conduction bands; critical points; dielectric function; electronic density of states; electronic structure; ellipsometry; energy gap ID GENERALIZED GRADIENT APPROXIMATION; BI4GE3O12; BGO AB The optical dielectric function of bismuth germanate (Bi(4)Ge(3)O(12)) has been measured using spectroscopic ellipsometry and optical transmission. Analysis near the direct band edge indicates that there are at least three critical points at 4.44 (low intensity) and at 4.75 and 4.91 (high intensity). Using transmission measurements, the band gap is determined to be 4.20 eV, which is likely determined by the defects in the material. Comparisons are made with relativistic electronic structure and optical calculations based on the Engel-Vosko generalized gradient approximation. The near-absorption-edge critical points are associated with spin-orbit-split bands which significantly modify the conduction bands. C1 [Jellison, G. E., Jr.; Singh, D. J.; Boatner, L. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Jellison, G. E., Jr.; Singh, D. J.; Boatner, L. A.] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA. [Auluck, S.] Indian Inst Technol, Dept Phys, Kanpur 208016, Uttar Pradesh, India. RP Jellison, GE (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM jellisongejr@ornl.gov RI Singh, David/I-2416-2012; Boatner, Lynn/I-6428-2013 OI Boatner, Lynn/0000-0002-0235-7594 FU The NNSA Office of Nonproliferation Research and Engineering [NA-22]; Division of Materials Science and Engineering, Office of Basic Energy Sciences, USDOE [DE-AC05-00OR 22725] FX This research was sponsored in part by The NNSA Office of Nonproliferation Research and Engineering (Grant No. NA-22) and in part by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, USDOE; ORNL is operated by UT-Battelle, LLC for the U.S. Department of Energy under Contract No. DE-AC05-00OR 22725. NR 25 TC 9 Z9 9 U1 1 U2 18 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 JAN 1 PY 2010 VL 107 IS 1 AR 013514 DI 10.1063/1.3272909 PG 5 WC Physics, Applied SC Physics GA 544WF UT WOS:000273689600029 ER PT J AU Maldonado, JR Pianetta, P Dowell, DH Smedley, J Kneisel, P AF Maldonado, Juan R. Pianetta, Piero Dowell, David H. Smedley, John Kneisel, Peter TI Performance of a CsBr coated Nb photocathode at room temperature SO JOURNAL OF APPLIED PHYSICS LA English DT Article DE caesium compounds; chromium; coatings; copper; free electron lasers; III-V semiconductors; indium compounds; magnesium; molybdenum; niobium; photocathodes; photoelectron spectra; polishing; superconducting materials; wide band gap semiconductors ID PHOTOEMISSION AB Experiments performed on Nb substrates coated with thin films of CsBr indicate a substantial enhancement of 150 to 800 times of the photoyield at 257 nm relative to the uncoated substrates. Results are presented for several power density illuminations and sample thickness. Further enhancement of photoyield was observed when the laser illumination was interrupted for a short time in samples with 5-10 nm thick CsBr coatings. C1 [Maldonado, Juan R.] Stanford Univ, Dept Elect Engn, Stanford, CA 94025 USA. [Pianetta, Piero; Dowell, David H.] SLAC Natl Accelerator Lab, Menlo Pk, CA USA. [Smedley, John] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kneisel, Peter] Jefferson Lab, Newport News, VA USA. RP Maldonado, JR (reprint author), Stanford Univ, Dept Elect Engn, Stanford, CA 94025 USA. EM jrmaldo1@slac.stanford.edu NR 7 TC 14 Z9 14 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 1 PY 2010 VL 107 IS 1 AR 013106 DI 10.1063/1.3276222 PG 3 WC Physics, Applied SC Physics GA 544WF UT WOS:000273689600006 ER PT J AU Zhang, H Mudryk, Y Cao, Q Pecharsky, VK Gschneidner, KA Long, Y AF Zhang, H. Mudryk, Ya. Cao, Q. Pecharsky, V. K. Gschneidner, K. A., Jr. Long, Y. TI Phase relationships, and structural, magnetic, and magnetocaloric properties in the Ce5Si4-Ce5Ge4 system SO JOURNAL OF APPLIED PHYSICS LA English DT Article DE cerium alloys; crystal structure; Curie temperature; entropy; germanium alloys; ground states; magnetisation; magnetocaloric effects; silicon alloys; space groups; X-ray diffraction ID RARE EARTH-GERMANIUM; CRYSTAL-STRUCTURE; SILICON COMPOUNDS; GD-5(SIXGE1-X)(4); ALLOYS; GD5SI4-GD5GE4 AB The crystallography, phase relationships, and magnetic properties of the Ce5Si4-xGex alloys with 0 < x < 4 have been investigated by using x-ray powder diffraction and isothermal magnetization measurements. There are three different crystal structures in the Ce5Si4-xGex system: the Zr5Si4-type tetragonal structure with space group P4(1)2(1)2 exists from 0 < x < 2.15, the Gd5Si2Ge2-type monoclinic structure with space group P112(1)/a exists at x approximate to 2.225, and the Sm5Ge4-type orthorhombic structure with space group Pnma is found for 2.4 < x < 4. The magnetic ordering temperature increases when the tetragonal phase changes to the monoclinic phase, and then it remains composition independent throughout the orthorhombic phase, which is the opposite trend compared to that observed in the heavy lanthanide 5:4 compounds when Ge content increases. Another distinct difference is that Ce5Si4 exhibits an antiferromagnetic ground state while Ce5Ge4 phase orders ferromagnetically, which is reverse compared to the R5Si4-xGex systems where R=Gd and Tb. The magnetocaloric effect has been calculated from the magnetization data. The Ce5Ge4 has the maximum magnetic entropy change Delta S-M(-11.6 J/kg K) at the Curie temperature of 11.5 K for a field change of 5 T. C1 [Zhang, H.; Long, Y.] Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China. [Zhang, H.; Mudryk, Ya.; Cao, Q.; Pecharsky, V. K.; Gschneidner, K. A., Jr.] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. [Cao, Q.; Pecharsky, V. K.; Gschneidner, K. A., Jr.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Zhang, H (reprint author), Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China. EM vitkp@ameslab.gov FU Department of Energy [DE-AC02-07CH11358]; National Science Foundation of China; National High Technology Research and Development program of China; National Basic Research Program of China FX The authors thank Mr. Rangarajan Vijayaraghavan for preparing a few of the alloys and making some magnetization measurements. The Ames Laboratory is operated for the U. S. Department of Energy by Iowa State University of Science and Technology. This work was supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences Division under Contract No. DE-AC02-07CH11358. H.Z.'s work at The Ames Laboratory was also supported by the National Science Foundation of China, the National High Technology Research and Development program of China, and the National Basic Research Program of China. NR 34 TC 8 Z9 8 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 1 PY 2010 VL 107 IS 1 AR 013909 DI 10.1063/1.3276211 PG 10 WC Physics, Applied SC Physics GA 544WF UT WOS:000273689600058 ER PT J AU Garfinkel, AP Young, DA Yohe, RM AF Garfinkel, Alan P. Young, David A. Yohe, Robert M., II TI Bighorn hunting, resource depression, and rock art in the Coso Range, eastern California: a computer simulation model SO JOURNAL OF ARCHAEOLOGICAL SCIENCE LA English DT Article DE Computer simulation; Rock art; Resource depression; Bighorn; Coso Range; California; Hunting religion; Prehistoric forager ecology ID GREAT-BASIN; ABORIGINAL OVERKILL; WHITE MOUNTAINS; NUMIC SPREAD; POPULATION; HOLOCENE; SHEEP; EXTINCTION; ASCENDANCE; RECORD AB The extraordinary record of prehistoric rock art depicting tens of thousands of animal images in the Coso Range of eastern California provides an opportunity to study the relationship between aboriginal hunting, forager ecology, bighorn prey population levels, and the production of rock art. We review archaeofaunal evidence that the Coso desert bighorn sheep population was strongly depleted during the Newberry era after 1500 B.C. We discuss the dating of the rock art and show a correlation between bighorn depletion and increased rock art production. These data are consistent with the arrival of Numic foragers ca A.D. 600 who competed with the Coso Pre-Numics and eventually terminated the Coso rock art tradition. An ecological predator-prey computer simulation of the human populations (Numic and Pre-Numics), the sheep population, and the rock art "population", demonstrates these proposed interconnections and gives a reasonable fit to the observed rock art production rate. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Garfinkel, Alan P.] Calif Dept Transportat, Fresno, CA 93726 USA. [Young, David A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Yohe, Robert M., II] Calif State Univ, Dept Anthropol & Sociol, Bakersfield, CA 93311 USA. RP Garfinkel, AP (reprint author), Calif Dept Transportat, 2015 E Shields Ave,Suite 100, Fresno, CA 93726 USA. EM alan_gold@dot.ca.gov; young5@llnl.gov; robert_yohe@firstclass1.csubak.edu FU California State University FX This research was in part supported by funds from a California State University, Bakersfield faculty research grant. Many people helped in allowing us to conduct these investigations. Alexander (Sandy) Rogers, Curator of Prehistory, Maturango Museum, Ridgecrest, California, aided our work through his critical eye, thoughtful review of our research, and wide-ranging insights on the character of Coso prehistory. Michael Baskerville, Base Archaeologist, Naval Air Weapons Station, China Lake, facilitated our access to the extraordinary resources of the Coso Range. We greatly appreciate his continued stewardship of this outdoor laboratory and archaeological treasure. William Wight was of great help to us by providing site location information and in acting as our on-base guide to various rock art loci. Donald Austin, Sand Carved Designs, continues to provide insights into rock art research method and theory throughout the Western United States. Ken and Anna Lu Pringle, close friends, aid in our research by providing their home as a satellite research station and continue to serve with unending hospitality and comic relief Ken Pringle's decades of experience in the study of the Coso petroglyphs are a continued source of wisdom and much needed perspective on such scientific pursuits. Richard Gaskin is a new partner in prehistory and we appreciate his support. John Wehausen and Clinton Epps brought a novel perspective to our interdisciplinary study by providing a source of expertise bringing their extensive backgrounds in wildlife biology and the study of desert bighorn. Former China Lake base archaeologist, Russ Kaldenberg, has continued to support our efforts and we appreciate his collaboration. NR 79 TC 5 Z9 5 U1 3 U2 23 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0305-4403 J9 J ARCHAEOL SCI JI J. Archaeol. Sci. PD JAN PY 2010 VL 37 IS 1 BP 42 EP 51 DI 10.1016/j.jas.2009.08.010 PG 10 WC Anthropology; Archaeology; Geosciences, Multidisciplinary SC Anthropology; Archaeology; Geology GA 531BE UT WOS:000272636900005 ER PT J AU Stadtmueller, BM Ferrell, K Whitby, FG Heroux, A Robinson, H Myszka, DG Hill, CP AF Stadtmueller, Beth M. Ferrell, Katherine Whitby, Frank G. Heroux, Annie Robinson, Howard Myszka, David G. Hill, Christopher P. TI Structural Models for Interactions between the 20S Proteasome and Its PAN/19S Activators SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID REGULATORY PARTICLE; ANGSTROM RESOLUTION; PROTEIN-DEGRADATION; S-PROTEASOME; ATPASES; COMPLEX; ATP; PURIFICATION; YEAST; GATE AB Proteasome activity is regulated by sequestration of its proteolytic centers in a barrel-shaped structure that limits substrate access. Substrates enter the proteasome by means of activator complexes that bind to the end rings of proteasome alpha subunits and induce opening of an axial entrance/exit pore. The PA26 activator binds in a pocket on the proteasome surface using main chain contacts of its C-terminal residues and uses an internal activation loop to trigger gate opening by repositioning the proteasome Pro-17 reverse turn. Subunits of the unrelated PAN/19S activators bind with their C termini in the same pockets but can induce proteasome gate opening entirely from interactions of their C-terminal peptides, which are reported to cause gate opening by inducing a rocking motion of proteasome alpha subunits rather than by directly contacting the Pro-17 turn. Here we report crystal structures and binding studies of proteasome complexes with PA26 constructs that display modified C-terminal residues, including those corresponding to PAN. These findings suggest that PA26 and PAN/19S C-terminal residues bind superimposably and that both classes of activator induce gate opening by using direct contacts to residues of the proteasome Pro-17 reverse turn. In the case of the PAN and 19S activators, a penultimate tyrosine/phenylalanine residue contacts the proteasome Gly-19 carbonyl oxygen to stabilize the open conformation. C1 [Stadtmueller, Beth M.; Ferrell, Katherine; Whitby, Frank G.; Myszka, David G.; Hill, Christopher P.] Univ Utah, Dept Biochem, Sch Med, Salt Lake City, UT 84112 USA. [Heroux, Annie; Robinson, Howard] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Hill, CP (reprint author), Univ Utah, Dept Biochem, Sch Med, Salt Lake City, UT 84112 USA. EM chris@biochem.utah.edu FU National Institutes of Health [R01 GM59135] FX This work was supported, in whole or in part, by National Institutes of Health Grant R01 GM59135 (to C. P. H.). NR 36 TC 28 Z9 32 U1 0 U2 1 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD JAN 1 PY 2010 VL 285 IS 1 BP 13 EP 17 DI 10.1074/jbc.C109.070425 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 536UT UT WOS:000273070100003 PM 19889631 ER PT J AU Bhuiya, MW Liu, CJ AF Bhuiya, Mohammad-Wadud Liu, Chang-Jun TI Engineering Monolignol 4-O-Methyltransferases to Modulate Lignin Biosynthesis SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID CAFFEIC ACID 3-O-METHYLTRANSFERASE; PLANT O-METHYLTRANSFERASES; ADENOSYL-L-METHIONINE; MEDICAGO-SATIVA L; SUBSTRATE PREFERENCES; SUSPENSION-CULTURES; METHYLATION; ALFALFA; EVOLUTION; ALDEHYDE AB Lignin is a complex polymer derived from the oxidative coupling of three classical monolignols. Lignin precursors are methylated exclusively at the meta-positions (i.e. 3/5-OH) of their phenyl rings by native O-methyltransferases, and are precluded from substitution of the para-hydroxyl (4-OH) position. Ostensibly, the para-hydroxyls of phenolics are critically important for oxidative coupling of phenoxy radicals to form polymers. Therefore, creating a 4-O-methyltransferase to substitute the para-hydroxyl of monolignols might well interfere with the synthesis of lignin. The phylogeny of plant phenolic O-methyltransferases points to the existence of a batch of evolutionarily "plastic" amino acid residues. Following one amino acid at a time path of directed evolution, and using the strategy of structure-based iterative site-saturation mutagenesis, we created a novel monolignol 4-O-methyltransferase from the enzyme responsible for methylating phenylpropenes. We show that two plastic residues in the active site of the parental enzyme are vital in dominating substrate discrimination. Mutations at either one of these separate the evolutionarily tightly linked properties of substrate specificity and regioselective methylation of native O-methyltransferase, thereby conferring the ability for para-methylation of the lignin monomeric precursors, primarily monolignols. Beneficial mutations at both sites have an additive effect. By further optimizing enzyme activity, we generated a triple mutant variant that may structurally constitute a novel phenolic substrate binding pocket, leading to its high binding affinity and catalytic efficiency on monolignols. The 4-O-methoxylation of monolignol efficiently impairs oxidative radical coupling in vitro, highlighting the potential for applying this novel enzyme in managing lignin polymerization in planta. C1 [Bhuiya, Mohammad-Wadud; Liu, Chang-Jun] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Liu, CJ (reprint author), 50 Bell Ave, Upton, NY 11973 USA. EM cliu@bnl.gov FU Office of Basic Energy Science, Department of Energy [DEAC0298CH10886] FX This work was supported by the Office of Basic Energy Science, Department of Energy Grant DEAC0298CH10886 (to C.J.L.). NR 35 TC 32 Z9 33 U1 3 U2 19 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD JAN 1 PY 2010 VL 285 IS 1 BP 277 EP 285 DI 10.1074/jbc.M109.036673 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 536UT UT WOS:000273070100029 PM 19875443 ER PT J AU McRae, R Lai, B Fahrni, CJ AF McRae, Reagan Lai, Barry Fahrni, Christoph J. TI Copper redistribution in Atox1-deficient mouse fibroblast cells SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Article DE Synchrotron X-ray fluorescence; Elemental imaging; Menkes disease; Golgi apparatus ID X-RAY-FLUORESCENCE; AMYOTROPHIC-LATERAL-SCLEROSIS; INTRACELLULAR TRAFFICKING; MOLECULAR-MECHANISMS; PARKINSONS-DISEASES; ALZHEIMERS-DISEASE; OXIDATIVE STRESS; CELLULAR COPPER; WILSON-DISEASE; MENKES-DISEASE AB Quantitative synchrotron X-ray fluorescence (SXRF) imaging of adherent mouse fibroblast cells deficient in antioxidant-1 (Atox1), a metallochaperone protein responsible for delivering Cu to cuproenzymes in the trans-Golgi network, revealed striking differences in the subcellular Cu distribution compared with wild-type cells. Whereas the latter showed a pronounced perinuclear localization of Cu, the Atox1-deficient cells displayed a mostly unstructured and diffuse distribution throughout the entire cell body. Comparison of the SXRF elemental maps for Zn and Fe of the same samples showed no marked differences between the two cell lines. The data underscore the importance of Atox1, not only as a metallochaperone for delivering Cu to cuproenzymes, but also as a key player in maintaining the proper distribution and organization of Cu at the cellular level. C1 [McRae, Reagan; Fahrni, Christoph J.] Georgia Inst Technol, Petit Inst Bioengn & Biosci, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Lai, Barry] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Fahrni, CJ (reprint author), Georgia Inst Technol, Petit Inst Bioengn & Biosci, Sch Chem & Biochem, 901 Atlantic Dr, Atlanta, GA 30332 USA. EM fahrni@chemistry.gatech.edu FU National Institutes of Health [R01GM067169]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank Jonathan Gitlin (Washington University, St. Louis, USA) for providing us with samples of the Atox1-/- and Atox1+/+ cell lines. We also thank Stefan Vogt (Argonne National Laboratory) for providing support with the MAPS software package. Financial support from the National Institutes of Health (R01GM067169) is gratefully acknowledged. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. NR 54 TC 24 Z9 25 U1 0 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-8257 EI 1432-1327 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD JAN PY 2010 VL 15 IS 1 BP 99 EP 105 DI 10.1007/s00775-009-0598-1 PG 7 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA 524WF UT WOS:000272174400010 PM 19865834 ER PT J AU Corzett, TH Fodor, IK Choi, MW Walsworth, VL Turteltaub, KW McCutchen-Maloney, SL Chromy, BA AF Corzett, Todd H. Fodor, Imola K. Choi, Megan W. Walsworth, Vicki L. Turteltaub, Kenneth W. McCutchen-Maloney, Sandra L. Chromy, Brett A. TI Statistical Analysis of Variation in the Human Plasma Proteome SO JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY LA English DT Article ID DIFFERENCE GEL-ELECTROPHORESIS; HUMAN-COMPLEMENT; HUMAN SERUM; EXPRESSION; PROTEINS; CLUSTER; TECHNOLOGY; DISCOVERY; DEPLETION; DISPLAY AB Quantifying the variation in the human plasma proteome is an essential prerequisite for disease-specific biomarker detection. We report here on the longitudinal and individual variation in human plasma characterized by two-dimensional difference gel electrophoresis (2-D DIGE) using plasma samples from eleven healthy subjects collected three times over a two week period. Fixed-effects modeling was used to remove dye and gel variability. Mixed-effects modeling was then used to quantitate the sources of proteomic variation. The subject-to-subject variation represented the largest variance component, while the time-within-subject variation was comparable to the experimental variation found in a previous technical variability study where one human plasma sample was processed eight times in parallel and each was then analyzed by 2-D DIGE in triplicate. Here, 21 protein spots had larger than 50% CV, suggesting that these proteins may not be appropriate as biomarkers and should be carefully scrutinized in future studies. Seventy-eight protein spots showing differential protein levels between different individuals or individual collections were identified by mass spectrometry and further characterized using hierarchical clustering. The results present a first step toward understanding the complexity of longitudinal and individual variation in the human plasma proteome, and provide a baseline for improved biomarker discovery. C1 [Corzett, Todd H.; Choi, Megan W.; Walsworth, Vicki L.; Turteltaub, Kenneth W.; McCutchen-Maloney, Sandra L.; Chromy, Brett A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Fodor, Imola K.] Genentech Inc, Dept Biostat, San Francisco, CA 94080 USA. RP Chromy, BA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. EM chromy1@llnl.gov FU U.S. Department of Energy [DE-AC52-07NA27344]; Department of Homeland Security; LLNL Laboratory Directed Research and Development [UCRL-JRNL-229654] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Security, LLC under Contract DE-AC52-07NA27344, with support from the Department of Homeland Security and LLNL Laboratory Directed Research and Development funding UCRL-JRNL-229654. Todd H. Corzett and Imola K. Fodor contributed equally to this work. NR 42 TC 23 Z9 25 U1 3 U2 7 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA SN 1110-7243 EI 1110-7251 J9 J BIOMED BIOTECHNOL JI J. Biomed. Biotechnol. PY 2010 AR 258494 DI 10.1155/2010/258494 PG 12 WC Biotechnology & Applied Microbiology; Medicine, Research & Experimental SC Biotechnology & Applied Microbiology; Research & Experimental Medicine GA 562UE UT WOS:000275079600001 ER PT J AU Kampf, JH Wetter, M Robinson, D AF Kaempf, Jerome Henri Wetter, Michael Robinson, Darren TI A comparison of global optimization algorithms with standard benchmark functions and real-world applications using EnergyPlus SO JOURNAL OF BUILDING PERFORMANCE SIMULATION LA English DT Article DE optimization; algorithm; application using EnergyPlus; covariance matrix adaptation evolution strategy algorithm and hybrid differential evolution; particle swarm optimization and Hooke-Jeeves; building energy minimization AB There is an increasing interest in the use of computer algorithms to identify combinations of parameters that optimize the energy performance of buildings. For such problems, the objective function can be multi-modal and needs to be approximated numerically using building energy simulation programs. As these programs contain iterative solution algorithms, they introduce discontinuities in the numerical approximation to the objective function. Metaheuristics often work well for such problems, but their convergence to a global optimum cannot be established formally. Moreover, different algorithms tend to be suited to particular classes of optimization problems. To shed light on this issue, we compared the performance of two metaheuristics, the hybrid CMA-ES/HDE and the hybrid PSO/HJ, in minimising standard benchmark functions and real-world building energy optimization problems of varying complexity. From this, we find that the CMA-ES/HDE performs well on more complex objective functions, but that the PSO/HJ more consistently identifies the global minimum for simpler objective functions. Both identified similar values in the objective functions arising from energy simulations, but with different combinations of model parameters. This may suggest that the objective function is multi-modal. The algorithms also correctly identified some non-intuitive parameter combinations that were caused by a simplified control sequence of the building energy system that does not represent actual practice, further reinforcing their utility. C1 [Kaempf, Jerome Henri; Robinson, Darren] Ecole Polytech Fed Lausanne, Solar Energy & Bldg Phys Lab, Stn 18, CH-1015 Lausanne, Switzerland. [Wetter, Michael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Kampf, JH (reprint author), Ecole Polytech Fed Lausanne, Solar Energy & Bldg Phys Lab, Stn 18, Batiment LE, CH-1015 Lausanne, Switzerland. EM jerome.kaempf@epfl.ch FU Swiss National Science Foundation [54]; Energy Efficiency and Renewable Energy, Office of Building Technologies of the US Department of Energy [DE-AC02-05CHH231] FX The financial support received for this work from the Swiss National Science Foundation, under the auspices of National Research Programme 54 'Sustainable Development of the Built Environment' is gratefully anknowledged. This research was also supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technologies of the US Department of Energy, under Contract No. DE-AC02-05CHH231. NR 25 TC 16 Z9 16 U1 2 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1940-1493 J9 J BUILD PERFORM SIMU JI J. Build. Perf. Simul. PY 2010 VL 3 IS 2 BP 103 EP 120 DI 10.1080/19401490903494597 PG 18 WC Construction & Building Technology SC Construction & Building Technology GA V20WW UT WOS:000208171100002 ER PT J AU Mutelet, F Revelli, AL Jaubert, JN Sprunger, LM Acree, WE Baker, GA AF Mutelet, Fabrice Revelli, Anne-Laure Jaubert, Jean-Noel Sprunger, Laura M. Acree, William E., Jr. Baker, Gary A. TI Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID FREE-ENERGY RELATIONSHIP; GENERAL SOLVATION MODEL; REGULAR SOLUTION THEORY; INFINITE DILUTION; THERMODYNAMIC PROPERTIES; EQUATION COEFFICIENTS; DICYANAMIDE ANION; SOLVENTS; SOLUTES; SOLUBILITY AB Partition coefficients of 51 organic compounds in two ionic liquids (IL), 1-ethyl-3-methylimidazolium dicyanamide and trimethylhexylammonium bis((trifluoromethyl)sulfonyl)amide, were measured using inverse gas chromatography from (322.5 to 352.5) K. These partition coefficients were converted into water-to-IL partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvanon parameter model With cation-specific and anion-specific equation coefficients. The derived equations correlated the experimental gas-to-IL and water-to-IL Partition coefficient data to within (0.12 and 0.14) log units, respectively. C1 [Mutelet, Fabrice; Revelli, Anne-Laure; Jaubert, Jean-Noel] Nancy Univ, Lab Thermodynam Milieux Polyphases, F-54001 Nancy, France. [Sprunger, Laura M.; Acree, William E., Jr.] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Baker, Gary A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Mutelet, F (reprint author), Nancy Univ, Lab Thermodynam Milieux Polyphases, 1 Rue Grandville,BP 20451, F-54001 Nancy, France. EM mutelet@ensic.inpl-nancy.fr RI MUTELET, Fabrice/H-3677-2013; Baker, Gary/H-9444-2016; JAUBERT, Jean-Noel/H-1399-2011 OI Baker, Gary/0000-0002-3052-7730; JAUBERT, Jean-Noel/0000-0001-7831-5684 NR 42 TC 97 Z9 98 U1 1 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD JAN PY 2010 VL 55 IS 1 BP 234 EP 242 DI 10.1021/je9003178 PG 9 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 541HF UT WOS:000273405200034 ER PT J AU Xie, Z Bowman, JM AF Xie, Zhen Bowman, Joel M. TI Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID INITIO POTENTIAL-ENERGY; EXCHANGE; H3O+ AB We describe a procedure to develop a fitting basis for molecular potential energy surfaces (PESs) that is invariant with respect to permutation of like atoms. The method is based on a straightforward symmetrization of a primitive monomial basis and illustrated for several classes of molecules. A numerically efficient method to evaluate the resulting expression for the PES is also described. The fitting basis is used to obtain a new PIES for H3O+ based on roughly 62 000 ab initio energies. C1 [Xie, Zhen] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Bowman, Joel M.] Emory Univ, Dept Chem, Atlanta, GA 30322 USA. [Bowman, Joel M.] Emory Univ, Cherry L Emerson Ctr Sci Computat, Atlanta, GA 30322 USA. RP Xie, Z (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zhenxie@mcs.anl.gov RI Xie, Zhen/A-5087-2009 FU Office of Advanced Scientific Computing Research, Office of Science, United States Department of Energy [DE-AC02-06CH11357]; Office of Basic Energy Sciences [DE-FG02-97ER14782] FX This work was supported by the Office of Advanced Scientific Computing Research, Office of Science, United States Department of Energy, under contract no. DE-AC02-06CH11357 and the Office of Basic Energy Sciences, contract no. DE-FG02-97ER14782. NR 32 TC 65 Z9 65 U1 3 U2 18 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 JAN PY 2010 VL 6 IS 1 BP 26 EP 34 DI 10.1021/ct9004917 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 558PN UT WOS:000274757000004 PM 26614316 ER PT J AU Xie, SC Hume, T Jakob, C Klein, SA McCoy, RB Zhang, MH AF Xie, Shaocheng Hume, Timothy Jakob, Christian Klein, Stephen A. McCoy, Renata B. Zhang, Minghua TI Observed Large-Scale Structures and Diabatic Heating and Drying Profiles during TWP-ICE SO JOURNAL OF CLIMATE LA English DT Article ID MADDEN-JULIAN OSCILLATION; PACIFIC WARM POOL; TOGA-COARE IOP; WESTERN PACIFIC; ATMOSPHERIC RADIATION; TRMM MEASUREMENTS; MOISTURE BUDGETS; CLOUD CLUSTERS; RAINFALL; PRECIPITATION AB This study documents the characteristics of the large-scale structures and diabatic heating and drying profiles observed during the Tropical Warm Pool-International Cloud Experiment (TWP-ICE), which was conducted in January-February 2006 in Darwin during the northern Australian monsoon season. The examined profiles exhibit significant variations between four distinct synoptic regimes that were observed during the experiment. The active monsoon period is characterized by strong upward motion and large advective cooling and moistening throughout the entire troposphere, while the suppressed and clear periods are dominated by moderate midlevel subsidence and significant low-to midlevel drying through horizontal advection. The midlevel subsidence and horizontal dry advection are largely responsible for the dry mid-troposphere observed during the suppressed period and limit the growth of clouds to low levels. During the break period, upward motion and advective cooling and moistening located primarily at midlevels dominate together with weak advective warming and drying (mainly from horizontal advection) at low levels. The variations of the diabatic heating and drying profiles with the different regimes are closely associated with differences in the large-scale structures, cloud types, and rainfall rates between the regimes. Strong diabatic heating and drying are seen throughout the troposphere during the active monsoon period while they are moderate and only occur above 700 hPa during the break period. The diabatic heating and drying tend to have their maxima at low levels during the suppressed periods. The diurnal variations of these structures between monsoon systems, continental/coastal, and tropical inland-initiated convective systems are also examined. C1 [Xie, Shaocheng; Klein, Stephen A.; McCoy, Renata B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Hume, Timothy] Ctr Australian Weather & Climate Res, Melbourne, Vic, Australia. [Jakob, Christian] Monash Univ, Sch Math Sci, Melbourne, Vic 3004, Australia. [Zhang, Minghua] SUNY Stony Brook, Sch Marine & Atmospher Sci, Stony Brook, NY 11794 USA. RP Xie, SC (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM xie2@llnl.gov RI Xie, Shaocheng/D-2207-2013; Klein, Stephen/H-4337-2016; Jakob, Christian/A-1082-2010 OI Xie, Shaocheng/0000-0001-8931-5145; Klein, Stephen/0000-0002-5476-858X; Jakob, Christian/0000-0002-5012-3207 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Environmental Sciences Division; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE ARM [DE-FG02-03ER63533, DE-FG02-08ER64527, EFG0298ER62570] FX The authors thank the two anonymous referees for their valuable comments that helped to clarify and improve the paper. We gratefully thank P. May, J. Mather, C. Long, P. Minnis, K. Johnson, M. Whimpey, J. Beringer, and N. Tapper for making the TWP-ICE data available for our use. We thank P. May and C. Schumacher for helpful discussion in defining the subdomains within the TWP-ICE sounding network. Thanks also go to A. Fridlind for her help in obtaining the domain average C-POL radar retrieved rainfall data. The observational data were obtained from the ARM program sponsored by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Environmental Sciences Division. Work at LLNL was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Work at CAWCR and Monash University was supported by the DOE ARM program under Grant DE-FG02-03ER63533 and DE-FG02-08ER64527. Work at SUNY Stony Brook was supported by the DOE ARM Program under Grant EFG0298ER62570. The data can be obtained from the ARM archive (http://www.db.arm.gov/cgi-bin/IOP2/selectAftIOP.pl?iopName5twp2006twp-i ce). NR 42 TC 48 Z9 51 U1 1 U2 7 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 JAN PY 2010 VL 23 IS 1 BP 57 EP 79 DI 10.1175/2009JCLI3071.1 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 540TA UT WOS:000273361000006 ER PT J AU Zarzycki, P Rosso, KM AF Zarzycki, Piotr Rosso, Kevin M. TI Nonlinear response of the surface electrostatic potential formed at metal oxide/electrolyte interfaces. A Monte Carlo simulation study SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE Surface potential; Metal oxide; Non-Nernstian behavior; Computer simulation; Single crystal electrode ID CHLORIDE AQUEOUS INTERFACE; SIMPLE ION ADSORPTION; PROTON ADSORPTION; LINEAR POLYELECTROLYTES; HETEROGENEOUS SURFACES; ELECTROLYTE INTERFACE; IONIZATION PROPERTIES; MODEL; HEMATITE; OXIDES AB An analysis of surface potential nonlinearity (psi(0)) at metal oxide/electrolyte interfaces is presented. By using grand canonical Monte Carlo simulations of a simple lattice model of an interface, we show that a correlation exists between ionic strength, as well as surface site densities, and the non-Nernstian response of a metal-oxide electrode. We propose two approaches to deal with the psi(0)-nonlinearity: one based on perturbative expansion of the Gibbs free energy and another based on the assumption Of the pH dependence of surface potential slope. The theoretical analysis based on our new potential form gives excellent performance in extreme pH regions, where classical formulae for psi(0) are unjustified. The new formula is general and independent of any underlying assumptions. For this reason, it can be directly applied to experimental Surface potential measurements, including those for individual Surfaces of single crystals, as we present for data reported by Kallay and Preocanin [6]. (C) 2009 Elsevier Inc. All rights reserved. C1 [Zarzycki, Piotr; Rosso, Kevin M.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Zarzycki, P (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, PO 999,MSIN K8-96, Richland, WA 99352 USA. EM piotr.zarzycki@pnl.gov OI Zarzycki, Piotr/0000-0003-3891-7159 NR 41 TC 9 Z9 9 U1 0 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 EI 1095-7103 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD JAN 1 PY 2010 VL 341 IS 1 BP 143 EP 152 DI 10.1016/j.jcis.2009.09.002 PG 10 WC Chemistry, Physical SC Chemistry GA 524NK UT WOS:000272149800021 PM 19836754 ER PT J AU Boyle, TJ Ottley, LM Raymond, R AF Boyle, Timothy J. Ottley, Leighanna M. Raymond, Rebecca TI Unusual structurally characterized pyridine carbinoxide copper(II) coordination compounds, isolated from organic solvents SO JOURNAL OF COORDINATION CHEMISTRY LA English DT Article DE Metal alkoxide; Copper; Pyridine carbinol; Water ID MAGNETIC-PROPERTIES; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURES; COMPLEXES; PRECURSORS; ALKOXIDES; DERIVATIVES; STATE; 2-PYRIDYLMETHANOL; TETRANUCLEAR AB The coordination behavior of pyridine carbinoxide [NC(5)H(4)(CH(2)O)-2 or OPy] with copper in organic solvents was crystallographically determined. Initial attempts to generate the Cu(II) OPy derivatives from an alcoholysis exchange of Cu(OCH(3))(2), with H-OPy in toluene, led to the isolation of [Cu(mu(c)-OPy)(O(c)Py)](2) (1, "c'' indicates chelation). The square-based pyramidal geometries noted for each Cu center resulted from one O(c)Py and two mu(c)-OPy ligands, generating an unusual C(1) symmetry. From the reaction of H-OPy and the Cu(I) species Cu(C(6)H(2)(CH(3))(3)-2,4,6), mononuclear Cu(II) complex Cu(O(c)Py)(2)(H-OPy)(2) (2) was isolated. Compound 2 is unusual in that it adopts a square planar arrangement around the Cu metal center using two O(c)Py ligands; however, the metal center also coordinates with two H-OPy molecules forming an octahedral geometry. Upon dissolution in water, both 1 and 2 react to form the previously reported Cu(O(c)Py)(2)center dot 2H(2)O (3). Attempts to add a Lewis base through dissolution of 1 in selected solvents (i.e., tetrahydrofuran, pyridine, 1-methylimidazole) led to [Cu(mu(c)-OPy)(O(c)Py)](2)center dot H(2)O (4), which possesses a C(2) symmetry. The water was believed to be extracted from the "dry'' solvents. A Cl derivative was also solved for the Cu(II)/Cu(I) species [Cu(OPy)(2)](2)[CuCl(H-OPy)(2)](2) (5) from tetrahydrofuran dried over apparently contaminated sieves. C1 [Boyle, Timothy J.; Ottley, Leighanna M.; Raymond, Rebecca] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA. EM tjboyle@sandia.gov NR 51 TC 6 Z9 6 U1 3 U2 11 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0095-8972 J9 J COORD CHEM JI J. Coord. Chem. PY 2010 VL 63 IS 4 BP 545 EP 557 DI 10.1080/00958970903556088 PG 13 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 565FZ UT WOS:000275276200001 ER PT J AU Jee, JE Pestovsky, O Hidayat, I Szajna-Fuller, E Bakac, A AF Jee, Joo-Eun Pestovsky, Oleg Hidayat, Irene Szajna-Fuller, Ewa Bakac, Andreja TI Mechanism of oxidation of alkyl and superoxo complexes of chromium(III) by aquamanganese(III) ions SO JOURNAL OF COORDINATION CHEMISTRY LA English DT Article DE Manganese; Oxidation; Chromium; Oxygen; Kinetics ID NICKEL(III) COMPLEXES; AQUEOUS-SOLUTIONS; BENZYL RADICALS; KINETICS; THERMODYNAMICS; MANGANESE(3); REDUCTION; HOMOLYSIS AB The reaction between aqueous manganese(III) ions, Mn(H(2)O)(6)(3+), and (H(2)O)(5)CrOO(2+) has a 1:1 stoichiometry and generates Cr(H(2)O)(6)(3+) and O(2) as products. The mixed second-order rate constant exhibits an [H(+)] dependence that identifies the hexaaquamanganese ion as the reactive form at 0.5 <=[H(+)]<= 3.0molL(-1), k(H)=350 +/- 10(molL(-1))(-1)s(-1). The reactivity of (H(2)O)(5)MnOH(2+) is negligible under these conditions, most likely because the much lower reduction potential of this hydrolytic form results in unfavorable thermodynamics for the overall reaction. Mn(H(2)O)(6)(3+) also oxidizes a benzylchromium ion,(H(2)O)(5)CrCH(2)Ph(2+), with a rate constant k=273 +/- 13(molL(-1))(-1)s(-1) in 3.0molL(-1) HClO(4). The reaction has a 2:1 [Mn(H(2)O)(6)(3+)]/[(H(2)O)(5)CrCH(2)Ph(2+)] stoichiometry and generates benzyl alcohol as the sole organic product. The data are consistent with oxidative homolysis which generates benzyl radicals followed by rapid oxidation of the radicals with the second equivalent of Mn(H(2)O)(6)(3+). The unexpected similarity between the rate constants for the Mn(H(2)O)(6)(3+) oxidation of (H(2)O)(5)CrOO(2+) and (H(2)O)(5)CrCH(2)Ph(2+) is discussed. C1 [Jee, Joo-Eun; Pestovsky, Oleg; Hidayat, Irene; Szajna-Fuller, Ewa; Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Bakac, A (reprint author), Iowa State Univ, Ames Lab, 25 Spedding Hall, Ames, IA 50011 USA. EM bakac@iastate.edu FU US Department of Energy [DE-AC02-07CH11358] FX This manuscript has been authored under Contract No. DE-AC02-07CH11358 with the US Department of Energy. NR 14 TC 0 Z9 0 U1 3 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0095-8972 J9 J COORD CHEM JI J. Coord. Chem. PY 2010 VL 63 IS 14-16 BP 2578 EP 2585 DI 10.1080/00958972.2010.498510 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 640EL UT WOS:000281031100017 ER PT J AU Palmer, DA Gamsjager, H AF Palmer, Donald A. Gamsjaeger, Heinz TI Solubility measurements of crystalline beta-Ni(OH)(2) in aqueous solution as a function of temperature and pH SO JOURNAL OF COORDINATION CHEMISTRY LA English DT Article DE Nickel hydroxide; Ni(II); Solubility; Thermodynamics; Aqueous solutions; Temperature; pH; Crystallinity ID NICKEL(II) HYDROXIDE; PHASE-EQUILIBRIA; OXIDE; HYDROLYSIS; WATER; DISSOCIATION; NI(OH)(2); PRODUCT; ION AB Experimental results on the solubility of crystalline nickel hydroxide (theophrastite), according to the dissolution reaction, beta-Ni(OH)(2)(cr) + 2H(+)reversible arrow Ni2+ + 2H(2)O(l), are reported as functions of temperature (0-200 degrees C) and pH at pressures slightly exceeding saturation vapor pressure. The experiments were carried out in either various flow-through cells or a hydrogen-electrode concentration cell (HECC). The results were treated with a thermodynamic model incorporating only the unhydrolyzed aqueous nickel species (namely, Ni2+) whose solubility constants were fitted as a function of temperature. The thermodynamic quantities obtained at infinite dilution are: log(10) K-s0(o) (25 degrees C) = (11.67 +/- 0.20), Delta G(s0)(o) (25 degrees C) = -(66.6 +/- 1.1) kJ mol(-1),Delta H-s0(o) (mean value 5-200 degrees C) = -(82.1 +/- 0.8) kJ mol(-1), Delta S-diss(s0)o = (mean value 5-200 degrees C) = -(52 +/- 5) JK(-1) mol(-1), Delta C-p(o) (mean value 5-200 degrees C) = 0 JK(-1) mol(-1), where the uncertainties quoted are 2 sigma. These results are internally consistent, but differ from most of those reported in the literature. A significantly lower temperature for the thermodynamic stability of beta-Ni(OH)(2)(cr) versus NiO(cr), namely, 77 degrees C, is proposed based on the current measurements. Additional batch experiments at 50 degrees C and 80 degrees C within aqueous NaClO4 media established and quantified a particle-size dependence of the solubility constant of beta-Ni(OH)(2)(cr) that extended to larger particle sizes than normally observed for metal oxide/hydroxides. C1 [Palmer, Donald A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Gamsjaeger, Heinz] Univ Leoben, Lehrstuhl Phys Chem, A-7800 Leoben, Austria. RP Palmer, DA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM Solution_Chemistry@comcast.net FU U.S. Department of Energy under the NEPO initiative in collaboration with EPRI, Inc., Palo Alto, California FX Much of the experimental work reported here was sponsored by the U.S. Department of Energy under the NEPO initiative in collaboration with EPRI, Inc., Palo Alto, California with project managers Paul Frattini and Keith Frazzetti. Special thanks are also given to Lawrence M. Anovitz for his advice and role in characterizing the nickel hydroxide phases. NR 37 TC 7 Z9 7 U1 3 U2 21 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0095-8972 J9 J COORD CHEM JI J. Coord. Chem. PY 2010 VL 63 IS 14-16 BP 2888 EP 2908 DI 10.1080/00958972.2010.492215 PG 21 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 640EL UT WOS:000281031100043 ER PT J AU Eda, S Wadhwa, A Bannantine, JP Scott, MC Shaw, RW Foote, RS AF Eda, S. Wadhwa, A. Bannantine, J. P. Scott, M. C. Shaw, R. W. Foote, R. S. TI Microfluidic system for serodiagnosis of Johne's disease SO JOURNAL OF DAIRY SCIENCE LA English DT Meeting Abstract DE paratuberculosis; diagnosis; microfluidics C1 [Eda, S.; Wadhwa, A.; Scott, M. C.] Univ Tennessee, Knoxville, TN USA. [Bannantine, J. P.] USDA, Ames, IA USA. [Shaw, R. W.; Foote, R. S.] Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 2 U2 4 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0022-0302 J9 J DAIRY SCI JI J. Dairy Sci. PY 2010 VL 93 SU 1 BP 33 EP 34 PG 2 WC Agriculture, Dairy & Animal Science; Food Science & Technology SC Agriculture; Food Science & Technology GA 822NU UT WOS:000295056200107 ER PT J AU Ahn, S Beaman, JJ Williamson, RL Melgaard, DK AF Ahn, Seokyoung Beaman, Joseph J. Williamson, Rodney L. Melgaard, David K. TI Model-Based Control of Electroslag Remelting Process Using Unscented Kalman Filter SO JOURNAL OF DYNAMIC SYSTEMS MEASUREMENT AND CONTROL-TRANSACTIONS OF THE ASME LA English DT Article DE control system synthesis; electrodes; ingots; Kalman filters; melting; metallurgical industries; temperature distribution AB Electroslag remelting (ESR) is used widely throughout the specialty metals industry. The process generally consists of a regularly shaped electrode, wherein a small amount is immersed in liquid slag at a temperature higher than the melting temperature of the electrode. Melting droplets from the electrode fall through the lower density slag into a liquid pool constrained by a crucible and solidify into an ingot. High quality ingots require that electrode melt rate and immersion depth be controlled at all times during the process. This can be difficult when process conditions are such that the temperature distribution in the electrode is not at steady state. This condition is encountered during the beginning and closing stages of the ESR process and also during some process disturbances such as when the melt zone passes through a transverse electrode crack. To address these transient melting situations, a new method of the ESR estimation and control has been developed that incorporates an accurate, reduced order melting model to continually estimate the temperature distribution in the electrode. The ESR process is highly nonlinear, noisy, and has coupled dynamics. An extended Kalman filter and an unscented Kalman filter were chosen as possible estimators and compared in the controller design. During the highly transient periods in melting, the unscented Kalman filter showed superior performance for estimating and controlling the system. C1 [Ahn, Seokyoung] Univ Texas Pan Amer, Dept Mech Engn, Edinburg, TX 78539 USA. [Beaman, Joseph J.] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. [Williamson, Rodney L.] Remelting Technol, Albuquerque, NM 87112 USA. [Melgaard, David K.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ahn, S (reprint author), Univ Texas Pan Amer, Dept Mech Engn, Edinburg, TX 78539 USA. RI Ahn, Seokyoung/D-5046-2014 OI Ahn, Seokyoung/0000-0002-6978-7273 FU Office of Naval Research [N00014-07-1-1133] FX The current research was supported by the Office of Naval Research (Contract No. N00014-07-1-1133) and the authors gratefully acknowledge the Specials Metals Processing Consortium (SMPC) and Sandia National Laboratories for access to data and experimental results. NR 26 TC 0 Z9 0 U1 0 U2 3 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-0434 J9 J DYN SYST-T ASME JI J. Dyn. Syst. Meas. Control-Trans. ASME PD JAN PY 2010 VL 132 IS 1 AR 011011 DI 10.1115/1.4000660 PG 9 WC Automation & Control Systems; Instruments & Instrumentation SC Automation & Control Systems; Instruments & Instrumentation GA 536IE UT WOS:000273037300011 ER PT J AU Baer, DR Lea, AS Geller, JD Hammond, JS Kover, L Powell, CJ Seah, MP Suzuki, M Watts, JF Wolstenholme, J AF Baer, D. R. Lea, A. S. Geller, J. D. Hammond, J. S. Kover, L. Powell, C. J. Seah, M. P. Suzuki, M. Watts, J. F. Wolstenholme, J. TI Approaches to analyzing insulators with Auger electron spectroscopy: Update and overview SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE Auger electron spectroscopy; Surface charging; Surface analysis; Practical guide ID SURFACE-ANALYSIS; STRUCTURE CERAMICS; SAM MICROANALYSIS; AES; CHARGE; MICROSCOPY; BACKSIDE; GLASS; MECHANISMS; REDUCTION AB This paper provides an updated overview, intended to be of practical value to analysts, of methods that can be applied to minimize or control the build-up of near-surface electrical charge during electron-induced Auger electron spectroscopy (AES). Although well-developed methods can be highly effective, dealing with insulating or ungrounded samples for which high spatial resolution is needed remains a challenge. Examples of the application of methods involving low-energy ion sources and sample thinning using a focused ion beam that can allow high-resolution measurements on a variety of samples are highlighted. The physical bases of newer and traditional methods are simply described along with strengths and limitations of the methods. Summary tables indicate methods that can be applied to most AES spectrometers, methods that require special instrumental capabilities and methods that require special sample preparation or mounting. (C) 2009 Elsevier B.V. All rights reserved. C1 [Baer, D. R.; Lea, A. S.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Geller, J. D.] Geller MicroAnalyt Lab, Topsfield, MA 01983 USA. [Hammond, J. S.] Phys Elect Inc, Chanhassen, MN 55317 USA. [Kover, L.] Hungarian Acad Sci, Inst Nucl Res, ATOMKI, H-4026 Debrecen, Hungary. [Powell, C. J.] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. [Seah, M. P.] Natl Phys Lab, Teddington TW11 0LW, Middx, England. [Suzuki, M.] ULVAC PHI Inc, Kanagawa 2538522, Japan. [Watts, J. F.] Univ Surrey, Surrey GU2 7XH, England. [Wolstenholme, J.] Thermo Fisher Sci, E Grinstead RH19 1UB, W Sussex, England. RP Baer, DR (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM don.baer@pnl.gov RI Baer, Donald/J-6191-2013; OI Baer, Donald/0000-0003-0875-5961; Lea, Alan/0000-0002-4232-1553 FU US DOE FX This paper evolved as a result of the development of ISO Standard "Surface Chemical Analysis-Auger electron spectroscopy-Reporting of methods used for charge control and charge correction" (ISO 29081) and the participation of many international experts in the preparation of this standard is gratefully acknowledged. As the project leader, DRB especially thanks the many researchers, vendor representatives, and ISO TC201 and ASTM E42 committee participants and members who have provided suggestions, data, comments, and ideas that were incorporated into the standard as well as this paper. Several very helpful discussions with J. Cazaux on how to present a simplified, but reasonably correct, discussion of TSEY are gratefully acknowledged. Part of the motivation for this effort derived from needs and experience of users working to characterize complex materials and nanostructures in the EMSL-the Environmental Molecular Sciences Laboratory, a U.S. Department of Energy (DOE) national scientific user facility located at the Pacific National Northwest Laboratory (PNNL). This work also supports research programs sponsored by the Offices of Basic Energy Sciences and Biological and Environmental Research of the US DOE at PNNL. NR 53 TC 19 Z9 19 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD JAN PY 2010 VL 176 IS 1-3 SI SI BP 80 EP 94 DI 10.1016/j.elspec.2009.03.021 PG 15 WC Spectroscopy SC Spectroscopy GA 557OR UT WOS:000274679400012 ER PT J AU Lopez, EP Vianco, PT Rejent, JA George, C Kilgo, A AF Lopez, Edwin P. Vianco, Paul T. Rejent, Jerome A. George, Carly Kilgo, Alice TI Compression Stress-Strain Behavior of Sn-Ag-Cu Solders SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE Tin-silver copper solder (Sn-Ag-Cu); thermal mechanical fatigue; modeling; constitutive equation; yield stress; elastic modulus ID TERNARY 95.5SN-3.9AG-0.6CU SOLDER AB New Pb-free alloys that are variations of the Sn-Ag-Cu (SAC) ternary system, having reduced Ag content, are being developed to address the poor shock load survivability of current SAC305, SAC396, and SAC405 compositions. However, the thermal mechanical fatigue properties must be determined for the new alloys in order to develop constitutive models for predicting solder joint fatigue. A long-term study was initiated to investigate the time-independent (stress-strain) and time-dependent (creep) deformation properties of the alloy 98.5Sn-1.0Ag-0.5Cu (wt.% SAC105). The compression stress-strain properties, which are reported herein, were obtained for the solder in as-cast and aged conditions. The test temperatures were -25A degrees C, 25A degrees C, 75A degrees C, 125A degrees C, and 160A degrees C and the strain rates were 4.2 x 10(-5) s(-1) and 8.3 x 10(-4) s(-1). The SAC105 performance was compared with that of the 95.5Sn-3.9Ag-0.6Cu (SAC396) solder. Like the SAC396 solder, the SAC105 microstructure exhibited only small microstructural changes after deformation. The stress-strain curves showed work-hardening behavior that diminished with increased temperature to a degree that indicated dynamic recrystallization activity. The aging treatment had a small effect on the stress-strain curves, increasing the degree of work hardening. The yield stresses of SAC105 were significantly less than those of SAC396. The aging treatment caused a small drop in yield stress, as is observed with the SAC396 material. The static modulus values of SAC105 were lower than those of SAC396 and exhibited both temperature and aging treatment dependencies that differed from those of the SAC396 material. These trends clearly show that the stress-strain behavior of Sn-Ag-Cu solders is sensitive to the specific, individual composition. C1 [Lopez, Edwin P.; Vianco, Paul T.; Rejent, Jerome A.; George, Carly; Kilgo, Alice] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lopez, EP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM eplopez@sandia.gov NR 9 TC 1 Z9 1 U1 0 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD JAN PY 2010 VL 39 IS 1 BP 97 EP 104 DI 10.1007/s11664-009-0968-z PG 8 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 541GG UT WOS:000273402700015 ER PT J AU Veauthier, JM Chavez, DE Tappan, BC Parrish, DA AF Veauthier, Jacqueline M. Chavez, David E. Tappan, Bryce C. Parrish, Damon A. TI Synthesis and Characterization of Furazan Energetics ADAAF and DOATF SO JOURNAL OF ENERGETIC MATERIALS LA English DT Article DE burning rate; furazan; heat of formation; performance; sensitivity ID CRYSTAL-STRUCTURES; NITROFURAZANS; OXIDATION; SERIES; HMX AB The synthesis and structural characterization of bis[4-aminofurazanyl-3-azoxy]azofurazan (ADAAF) and 3,4:7,8:11,12:15,16-tetrafurazano-1,2,5,6,9,10,13,14-octaazacyclohexadeca-1,3,5,7,9,11,13,15-octaene-1,10-dioxide (DOATF) are described. Explosive sensitivity properties of both materials were determined. The heat of formation of ADAAF was measured to be 300kcal/mol and the detonation velocity and pressure of ADAAF were measured to be 7.88km/s and 299 kbar, respectively, at 94% theoretical maximum density. We also investigated the burning rate characteristics of ADAAF. C1 [Veauthier, Jacqueline M.; Chavez, David E.; Tappan, Bryce C.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Veauthier, Jacqueline M.; Chavez, David E.; Tappan, Bryce C.] Los Alamos Natl Lab, Weapon Expt Mat Div, Los Alamos, NM 87545 USA. [Parrish, Damon A.] USN, Res Lab, Struct Matter Lab, Washington, DC 20375 USA. RP Veauthier, JM (reprint author), Los Alamos Natl Lab, Div Chem, MS J582, Los Alamos, NM 87545 USA. EM veauthier@lanl.gov OI Veauthier, Jacqueline/0000-0003-2206-7786 FU DoD/DOE FX The authors thank Dan Hooks for helpful discussion related to crystal packing; Stephanie Hagelberg for elemental analyses; Mary Sandstrom and Geoff Brown for thermal analyses; Daniel Preston, Gabe Avilucea, and Ernie Hartline for sensitivity tests; Joe Lloyd, Eric Sanders, and Dennis Montoya for performance testing; and Dave Oschwald for assistance with burning rate studies. This work was supported by the DoD/DOE Joint Munitions Technology Development Program. NR 29 TC 29 Z9 30 U1 3 U2 10 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0737-0652 J9 J ENERG MATER JI J. Energ. Mater. PY 2010 VL 28 IS 3 BP 229 EP 249 AR PII 922886252 DI 10.1080/07370651003601769 PG 21 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical; Materials Science, Multidisciplinary SC Chemistry; Engineering; Materials Science GA 609UV UT WOS:000278683900005 ER PT J AU Tarver, CM Urtiew, PA AF Tarver, Craig M. Urtiew, Paul A. TI Theory and Modeling of Liquid Explosive Detonation SO JOURNAL OF ENERGETIC MATERIALS LA English DT Article DE detonation; ignition and growth; nitromethane ID CHEMICAL ENERGY-RELEASE; CELLULAR STRUCTURE; CONDENSED EXPLOSIVES; VIBRATIONAL-ENERGY; WAVES; NITROMETHANE; RELAXATION; MOLECULES AB The current understanding of the detonation reaction zones of liquid explosives is discussed in this article. The physical and chemical processes that precede and follow exothermic chemical reaction within the detonation reaction zone are discussed within the framework of the nonequilibrium Zeldovich-von Neumann-Doring (NEZND) theory of self-sustaining detonation. Nonequilibrium chemical and physical processes cause finite time duration induction zones before exothermic chemical energy release occurs. This separation between the leading shock wave front and the chemical energy release needed to sustain it results in shock wave amplification and the subsequent formation of complex three-dimensional cellular structures in all liquid detonation waves. To develop a practical Zeldovich-von Neumann-Doring (ZND) reactive flow model for liquid detonation, experimental data on reaction zone structure, confined failure diameter, unconfined failure diameter, and failure wave velocity in the Dremin-Trofimov test for detonating nitromethane are calculated using the ignition and growth reactive flow model. C1 [Tarver, Craig M.; Urtiew, Paul A.] Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP Tarver, CM (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, L-282,POB 808, Livermore, CA 94550 USA. EM tarver1@llnl.gov FU United States Department of Energy [DE-AC52-07NA27344] FX The authors gratefully acknowledge many fascinating discussions with the late Dr. Anatoly Dremin. His obituary describes many facets of his life and scientific career [51]. This work was performed under the auspices of the United States Department of Energy by the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 51 TC 3 Z9 3 U1 2 U2 16 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0737-0652 J9 J ENERG MATER JI J. Energ. Mater. PY 2010 VL 28 IS 4 BP 299 EP 317 AR PII 928124565 DI 10.1080/07370651003789317 PG 19 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical; Materials Science, Multidisciplinary SC Chemistry; Engineering; Materials Science GA 665TY UT WOS:000283059600004 ER PT J AU Biruduganti, MS Gupta, SB Sekar, R AF Biruduganti, Munidhar S. Gupta, Sreenath B. Sekar, Raj TI Low Temperature Combustion Using Nitrogen Enrichment to Mitigate NOx From Large Bore Natural Gas Fueled Engines SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT ASME Internal Combustion Engine Division Spring Technical Conference CY APR 27-30, 2008 CL Chicago, IL SP ASME, Internal Combust Engine Div AB Low temperature combustion is identified as one of the pathways to meet the mandatory ultra low NOx emissions levels set by the regulatory agencies. Exhaust gas recirculation (EGR) is a well known technique to realize low NOx emissions. However, EGR has many built-in adverse ramifications that negate its advantages in the long term. This paper discusses nitrogen enrichment of intake air using air separation membranes as a better alternative to the mature EGR technique. This investigation was undertaken to determine the maximum acceptable level of nitrogen enrichment of air for a single-cylinder spark-ignited natural gas engine. NOx reduction as high as 70% was realized with a modest 2% nitrogen enrichment while maintaining power density and simultaneously improving fuel conversion efficiency (FCE). Any enrichment beyond this level degraded engine performance in terms of power density, FCE, and unburned hydrocarbon emissions. The effect of ignition timing was also studied with and without N-2 enrichment. Finally, lean burn versus stoichiometric operation utilizing nitrogen enrichment was compared. Analysis showed that lean burn operation along with nitrogen enrichment is one of the effective pathways for realizing better FCE and lower NOx emissions. [DOI: 10.1115/1.3125301] C1 [Biruduganti, Munidhar S.; Gupta, Sreenath B.; Sekar, Raj] Argonne Natl Lab, Argonne, IL 60439 USA. RP Biruduganti, MS (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 11 TC 0 Z9 0 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD JAN PY 2010 VL 132 IS 1 AR 014502 DI 10.1115/1.3125301 PG 4 WC Engineering, Mechanical SC Engineering GA 505DK UT WOS:000270668800021 ER PT J AU Littlejohn, D Cheng, RK Noble, DR Lieuwen, T AF Littlejohn, David Cheng, Robert K. Noble, D. R. Lieuwen, Tim TI Laboratory Investigations of Low-Swirl Injectors Operating With Syngases SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT 53rd ASME Turbo Expo 2008 CY JUN 09-13, 2008 CL Berlin, GERMANY SP Int Gas Turbine Inst, ASME ID INTENSE ISOTROPIC TURBULENCE; PREMIXED GAS-TURBINES; FLAMES; VELOCITY; MODERATE AB The low-swirl injector (LSI) is a lean premixed combustion technology that has the potential for adaptation to fuel-flexible gas turbines operating on a variety of fuels. The objective of this study is to gain a fundamental understanding of the effect of syngas on the LSI flame behavior, the emissions, and the flowfield characteristics for adaptation to the combustion turbines in integrated gasification combined cycle clean coal power plants. The experiments were conducted in two facilities. Open atmospheric laboratory flames generated by a full size (6.35 cm) LSI were used to investigate the lean blow-off limits, emissions, and the flowfield characteristics. Verification of syngas operation at elevated temperatures and pressures were performed with a reduced scale (2.54 cm) LSI in a small pressurized combustion channel. The results show that the basic LSI design is amenable to burning syngases with up to 60% H(2). Syngases with high H(2) concentration have lower lean blow-off limits. From particle image velocimetry measurements, the flowfield similarity behavior and the turbulent flame speeds of syngases flames are consistent with those observed in hydrocarbon and pure or diluted hydrogen flames. The NO(x) emissions from syngas flames show log-linear dependency on the adiabatic flame temperature and are comparable to those reported for the gaseous fuels reported previously. Successful firing of the reduced-scale LSI at 450 K = 0.99) increase from 2.4 x 10(5) to 7.2 x 10(5) g mol(-1)min(-1) as the groundwater arsenic concentration decreases from 560 to 170 ppb. We show that ARUBA's arsenic adsorption density (AAD), defined as the milligrams of arsenic removed at equilibrium per gram of ARUBA added, is linearly dependent on the initial arsenic concentration of the groundwater sample, for initial arsenic concentrations of up to 1600 ppb and an ARUBA dose of 4.0 g/L. This makes it easy to determine the amount of ARUBA required to treat a groundwater source when its arsenic concentration is known and less than 1600 ppb. Storing contaminated groundwater for two to three days before treatment is seen to significantly increase ARUBA's AAD. ARUBA can be separated from treated water by coagulation and clarification, which is expected to be less expensive than filtration of micron-scale particles, further contributing to the affordability of a community-scale water treatment center. C1 [Mathieu, Johanna L.; Gadgil, Ashok J.; Addy, Susan E. A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Mathieu, Johanna L.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Gadgil, Ashok J.; Addy, Susan E. A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Kowolik, Kristin] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Gadgil, AJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS 90R3058, Berkeley, CA 94720 USA. EM ajgadgil@lbl.gov OI Gadgil, Ashok/0000-0002-0357-9455 FU U.S. Department of Energy [DE-AC02-05-CH11231]; NCIIA; University of California, Berkeley's Blum Center for Developing Economies and Bears Breaking Boundaries Contest FX This work was conducted at the University of California, Berkeley and Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05-CH11231. Funders include NCIIA, and the University of California, Berkeley's Blum Center for Developing Economies and Bears Breaking Boundaries Contest. We thank the many researchers and students who built the foundation of this project: Yola Bayram, Ebere Chukwueke, Raymond Dod, Meghana Gadgil, Christie Galitsky, Lara Gundel, Mathew Jeung, Melissa Quemada, Heena Patel, Clete Reader, Mark Sippola, and Duo Wang; and members of the Berkeley Arsenic Alleviation Group: William Babbitt, Kosar Jahani, Tasnuva Khan, Nadia Madden, Shefah Qazi, and Mehmet Seflek. We gratefully acknowledge Martin Mulvihill for his technical advice. Iqbal and Kamal Quadir provided funds and support for our first trip to Bangladesh and the Khan family greatly supported our second trip. We also thank BRAC and BUET, Dhaka for their generous help and collaborative work during our fieldwork. Finally, we would like to express our deep gratitude specifically to our Bangladeshi collaborators Dr. A.B.M. Badruzzaman and Mahbuba Iasmin Ahmed at BUET. NR 44 TC 10 Z9 10 U1 2 U2 16 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1093-4529 J9 J ENVIRON SCI HEAL A JI J. Environ. Sci. Health Part A-Toxic/Hazard. Subst. Environ. Eng. PY 2010 VL 45 IS 11 BP 1446 EP 1460 DI 10.1080/10934529.2010.500940 PG 15 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 636WB UT WOS:000280773300010 PM 20694883 ER PT J AU Xue, JP McCurdy, T Burke, J Bhaduri, B Liu, C Nutaro, J Patterson, L AF Xue, Jianping McCurdy, Thomas Burke, Janet Bhaduri, Budhendra Liu, Cheng Nutaro, James Patterson, Lauren TI Analyses of school commuting data for exposure modeling purposes SO JOURNAL OF EXPOSURE SCIENCE AND ENVIRONMENTAL EPIDEMIOLOGY LA English DT Article DE air pollution; commuting; near-roadway exposures; residences; schools ID AIR-POLLUTION EXPOSURE; ACTIVE-TRANSPORT; BUSY ROADS; POPULATION; CALIFORNIA; PROXIMITY; ENVIRONMENT; PATTERNS; IMPACTS; DENSITY AB Human exposure models often make the simplifying assumption that school children attend school in the same census tract where they live. This paper analyzes that assumption and provides information on the temporal and spatial distributions associated with school commuting. The data were obtained using Oak Ridge National Laboratory's LandScan USA population distribution model applied to Philadelphia, PA. It is a high-resolution model used to allocate individual school-aged children to both a home and school location, and to devise a minimum-time home-to-school commuting path (called a trace) between the two locations. LandScan relies heavily on Geographic Information System (GIS) data. With respect to school children attending school in their home census tract, the vast majority does not in Philadelphia. Our analyses found that: (1) about 32% of the students walk across two or more census tracts going to school and 40% of them walk across four or more census blocks; and (2) 60% drive across four or more census tracts going to school and 50% drive across 10 or more census blocks. We also find that: (3) using a 5-min commuting time interval F as opposed to the modeled "trace" F results in misclassifying the "actual" path taken in 90% of the census blocks, 70% of the block groups, and 50% of the tracts; (4) a 1-min time interval is needed to reasonably resolve time spent in the various census unit designations; and (5) approximately 50% of both the homes and schools of Philadelphia school children are located within 160m of highly traveled roads, and 64% of the schools are located within 200 m. These findings are very important when modeling school children's exposures, especially, when ascertaining the impacts of near-roadway concentrations on their total daily body burden. As many school children also travel along these streets and roadways to get to school, a majority of children in Philadelphia are in mobile source-dominated locations most of the day. We hypothesize that exposures of school children in Philadelphia to benzene and particulate matter will be much higher than if home and school locations and commuting paths at a 1-min time resolution are not explicitly modeled in an exposure assessment. Undertaking such an assessment will be the topic of a future paper. Journal of Exposure Science and Environmental Epidemiology (2010) 20, 69-78; doi:10.1038/jes.2009.3; published online 25 February 2009 C1 [Xue, Jianping; McCurdy, Thomas; Burke, Janet] US EPA, Div Natl Exposure, Res Lab, Res Triangle Pk, NC 27711 USA. [Bhaduri, Budhendra; Liu, Cheng; Nutaro, James; Patterson, Lauren] US DOE, Div Oak Ridge Natl Lab, Oak Ridge, TN USA. RP McCurdy, T (reprint author), US EPA, Div Natl Exposure, Res Lab, E205-02, Res Triangle Pk, NC 27711 USA. EM mccurdy.thomas@epa.gov OI Nutaro, James/0000-0001-7360-2836 FU US Environmental Protection Agency (EPA) [DW89921830] FX The LandScan work was done under contract to Oak Ridge National Laboratory through Interagency Agreement #DW89921830 funded by the US Environmental Protection Agency (EPA). Oak Ridge staffs who played an important role in the project include Eddie Bright and Marie Minner. We acknowledge their fine work on obtaining and organizing land use and GIS data in Philadelphia. We greatly acknowledge the fast work by Will Stevens of the Delaware Valley Regional Planning Commission to provide us with link-specific ADT data in Philadelphia. We also acknowledge the input provided by Dr. Lisa Baxter as part of EPA's internal review process; she sharpened up the focus of our paper. The two anonymous reviewer comments also made us clarify our wording in a number of places, and we appreciate their input. This paper has been subject to Agency review and approved for publication, but does not necessarily constitute an endorsement of our findings. Mention of trade names, commercial products, and organizations does not constitute endorsement or recommendation for use. NR 46 TC 4 Z9 4 U1 3 U2 10 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1559-0631 J9 J EXPO SCI ENV EPID JI J. Expo. Sci. Environ. Epidemiol. PD JAN-FEB PY 2010 VL 20 IS 1 BP 69 EP 78 DI 10.1038/jes.2009.3 PG 10 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 534AM UT WOS:000272867900008 PM 19240760 ER PT J AU Mernild, SH Liston, GE Steffen, K Chylek, P AF Mernild, Sebastian H. Liston, Glen E. Steffen, Konrad Chylek, Petr TI Meltwater flux and runoff modeling in the ablation area of Jakobshavn Isbrae, West Greenland SO JOURNAL OF GLACIOLOGY LA English DT Article ID SURFACE MASS-BALANCE; COMPLEX SNOW DISTRIBUTIONS; ICE-SHEET; SOUTHEAST GREENLAND; AMMASSALIK ISLAND; CLIMATE MODEL; BLOWING-SNOW; MELT; PRECIPITATION; GLACIER AB The temporal variability of surface snow and glacier melt flux and runoff are investigated for the ablation area of Jakobshavn Isbrx, West Greenland. High-resolution meteorological observations both on and outside the Greenland ice sheet were used as model input. Snow Model, a physically based spatially distributed meteorological and snow evolution modeling system, is used to simulate the temporal variability of Jakobshavn Isbrx accumulation and ablation processes for 2000/01-2006/07. Winter snow depth observations and MODIS satellite-derived summer melt observations are used for model validation of accumulation and ablation. The modeled interannual runoff variability varied from 1.81 x 10(9)m(3) (2001/02) to 5.21 x 10(9)m(3) (2004/05), yielding a cumulative runoff at the Jakobshavn Glacier terminus of similar to 2.25 to similar to 4.5 m w.e. The average modeled Jakobshavn runoff of similar to 3.4 km(3) a(-1) was merged with previous estimates of Jakobshavn ice discharge to quantify the freshwater flux to Illulissat Icefjord. For both runoff and ice discharge the average trends are similar, indicating increasing (insignificant) influx of fresh water to Ilulissat Icefjord for the period 2000/01-2006/07. This study suggests that surface runoff forms a minor part of the overall Jakobshavn freshwater flux to the fjord: about 7% (similar to 3.4 km(3) a(-1)) of the average annual freshwater flux of similar to 51.0 km(3) a(-1) originates from the surface runoff. C1 [Mernild, Sebastian H.] Univ Alaska Fairbanks, Int Arctic Res Ctr, Fairbanks, AK 99775 USA. [Mernild, Sebastian H.] Univ Alaska Fairbanks, Water & Environm Res Ctr, Fairbanks, AK 99775 USA. [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA. [Liston, Glen E.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA. [Steffen, Konrad] Univ Colorado, CIRES, Boulder, CO 80309 USA. RP Mernild, SH (reprint author), Univ Alaska Fairbanks, Int Arctic Res Ctr, Fairbanks, AK 99775 USA. EM mernild@lanl.gov RI Steffen, Konrad/C-6027-2013 OI Steffen, Konrad/0000-0001-8658-1026 FU University of Alaska Presidential IPY Postdoctoral Foundation; US Department of Energy's Office of Science; National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396] FX We thank the Cooperative Institute for Research in the Environmental Sciences (CIRES), University of Colorado at Boulder, for the use of observed Swiss Camp SWE data and for the use of meteorological data from stations related to the GC-Net. We also thank the Los Alamos National Laboratory (LANL) for the use of MODIS satellite images. Thanks to the Cooperative Institute for Research in the Atmosphere, Colorado State University, for hosting the first author during September and October 2008 and February 2009. This work was supported partly by grants from the University of Alaska Presidential IPY Postdoctoral Foundation and partly from the Climate Change Prediction Program within the US Department of Energy's Office of Science. LANL is operated under the auspices of the National Nuclear Security Administration of the US Department of Energy under contract No. DE-AC52-06NA25396. NR 55 TC 22 Z9 22 U1 1 U2 3 PU INT GLACIOL SOC PI CAMBRIDGE PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND SN 0022-1430 J9 J GLACIOL JI J. Glaciol. PY 2010 VL 56 IS 195 BP 20 EP 32 PG 13 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 642YK UT WOS:000281257600003 ER PT J AU Dukowicz, JK Price, SF Lipscomb, WH AF Dukowicz, John K. Price, Stephen F. Lipscomb, William H. TI Consistent approximations and boundary conditions for ice-sheet dynamics from a principle of least action SO JOURNAL OF GLACIOLOGY LA English DT Article ID FLUID-FLOW MODEL; SUBGLACIAL LAKES; GLACIER; GLACIOLOGY AB The formulation of a physical problem in terms of a variational (or action) principle conveys significant advantages for the analytical formulation and numerical solution of that problem. One such problem is ice-sheet dynamics as described by non-Newtonian Stokes flow, for which the variational principle can be interpreted as stating that a measure of heat dissipation, due to internal deformation and boundary friction, plus the rate of loss of total potential energy is minimized under the constraint of incompressible flow. By carrying out low-aspect-ratio approximations to the Stokes flow problem within this variational principle, we obtain approximate dynamical equations and boundary conditions that are internally consistent and preserve the analytical structure of the full Stokes system. This also allows us to define an action principle for the popular first-order or 'Blatter-Pattyn' shallow-ice approximation that is distinct from the action principle for the Stokes problem yet preserves its most important properties and elucidates various details about this approximation. Further approximations within this new action functional yield the standard zero-order shallow-ice and shallow-shelf approximations, with their own action principles and boundary conditions. We emphasize the specification of boundary conditions, which are problematic to derive and implement consistently in approximate models but whose formulation is greatly simplified in a variational setting. C1 [Dukowicz, John K.; Price, Stephen F.; Lipscomb, William H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Project, Los Alamos, NM 87545 USA. RP Dukowicz, JK (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Project, Grp T-3,MS B216, Los Alamos, NM 87545 USA. EM duke@lanl.gov RI Price, Stephen /E-1568-2013 OI Price, Stephen /0000-0001-6878-2553 FU US Department of Energy (DOE) Office of Biological and Environmental Research; Los Alamos National Laboratory (LANL); DOE; National Nuclear Security Administration of the DOE [DE-AC52-06NA25396] FX We thank R. Hindmarsh and an anonymous reviewer, and particularly the scientific editor, C. Schoof, for comments and suggestions that greatly improved this paper. We also acknowledge support to J.K.D. by the Climate Change Prediction Program of the US Department of Energy (DOE) Office of Biological and Environmental Research; to S.F.P. by a Los Alamos National Laboratory (LANL) Director's Postdoctoral Fellowship; and to W.H.L. by the DOE Scientific Discovery for Advanced Computing (SciDAC) program. LANL is operated by the Los Alamos National Security, LLC, for the National Nuclear Security Administration of the DOE under contract DE-AC52-06NA25396. NR 29 TC 26 Z9 26 U1 0 U2 9 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND SN 0022-1430 EI 1727-5652 J9 J GLACIOL JI J. Glaciol. PY 2010 VL 56 IS 197 BP 480 EP 496 PG 17 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 638WV UT WOS:000280930000010 ER PT J AU McGrath, D Steffen, K Overeem, I Mernild, SH Hasholt, B van den Broeke, M AF McGrath, Daniel Steffen, Konrad Overeem, Irina Mernild, Sebastian H. Hasholt, Bent van den Broeke, Michiel TI Sediment plumes as a proxy for local ice-sheet runoff in Kangerlussuaq Fjord, West Greenland SO JOURNAL OF GLACIOLOGY LA English DT Article ID SUSPENDED SEDIMENT; RIVER PLUME; SOUTHERN CALIFORNIA; JAKOBSHAVN ISBRAE; COASTAL WATERS; OUTLET GLACIER; ABLATION ZONE; MASS-LOSS; MELT; VARIABILITY AB Meltwater runoff is an important component of the mass balance of the Greenland ice sheet (GrIS) and contributes to eustatic sea-level rise. In situ measurements of river runoff at the 325 outlets are nonexistent due to logistical difficulties. We develop a novel methodology using satellite observations of sediment plumes as a proxy for the onset, duration and volume of meltwater runoff from a basin of the GrIS. Sediment plumes integrate numerous poorly constrained processes, including meltwater refreezing and supra- and englacial water storage, and are formed by meltwater that exits the GrIS and enters the ocean. Plume characteristics are measured in Moderate Resolution Imaging Spectroradiometer (MODIS, band 1, 250m) satellite imagery during the 2001-08 melt seasons. Plume formation and cessation in Kangerlussuaq Fjord, West Greenland, are positively correlated (r(2) = 0.88, n = 5, p < 0.05; r(2) = 0.93, n = 5, p < 0.05) with ablation onset and cessation at the Kangerlussuaq Transect automatic weather station S5 (490 m a.s.I., 6 km from the ice margin). Plume length is positively correlated (r(2) = 0.52, n = 35, p < 0.05) with observed 4 day mean Watson River discharge throughout the 2007 and 2008 melt seasons. Plume length is used to infer instantaneous and annual cumulative Watson River discharge between 2001 and 2008. Reconstructed cumulative discharge values overestimate observed cumulative discharge values for 2007 and 2008 by 15% and 29%, respectively. C1 [McGrath, Daniel; Steffen, Konrad] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Overeem, Irina] Univ Colorado, UCB 450, Inst Arctic & Alpine Res, CSDMS, Boulder, CO 80309 USA. [Mernild, Sebastian H.] Los Alamos Natl Lab, Computat Phys & Methods CCS2, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA. [Hasholt, Bent] Univ Copenhagen, Dept Geog & Geol, DK-1350 Copenhagen, Denmark. [van den Broeke, Michiel] Univ Utrecht, Inst Marine & Atmospher Res Utrecht IMAU, NL-3584 CC Utrecht, Netherlands. RP McGrath, D (reprint author), Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. EM Daniel.mcgrath@colorado.edu RI Van den Broeke, Michiel/F-7867-2011; Steffen, Konrad/C-6027-2013; OI Van den Broeke, Michiel/0000-0003-4662-7565; Steffen, Konrad/0000-0001-8658-1026; MCGRATH, DANIEL/0000-0002-9462-6842 FU NASA [NNX08AT85G] FX This work was supported by NASA grant NNX08AT85G. W. Colgan assisted in the field and provided valuable suggestions on the manuscript. M. Berlin provided basin hypsometry data. C. Roesler contributed useful discussions during project development. CH2M HILL Polar Services provided excellent field support. F. Tweed and an anonymous reviewer provided constructive comments that greatly improved the manuscript. NR 54 TC 20 Z9 21 U1 1 U2 13 PU INT GLACIOL SOC PI CAMBRIDGE PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND SN 0022-1430 J9 J GLACIOL JI J. Glaciol. PY 2010 VL 56 IS 199 BP 813 EP 821 DI 10.3189/002214310794457227 PG 9 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 709AL UT WOS:000286407400007 ER PT J AU Hunke, EC Lipscomb, WH Turner, AK AF Hunke, Elizabeth C. Lipscomb, William H. Turner, Adrian K. TI Sea-ice models for climate study: retrospective and new directions SO JOURNAL OF GLACIOLOGY LA English DT Article ID GENERAL-CIRCULATION MODEL; THICKNESS DISTRIBUTION; ARCTIC-OCEAN; THERMODYNAMIC MODEL; SALINITY PROFILE; NUMERICAL-MODEL; MASS-BALANCE; HEAT-BUDGET; SNOW COVER; PACK ICE AB Scientific observations of sea ice began more than a century ago, but detailed sea-ice models appeared only in the latter half of the last century. The high albedo of sea ice is critical for the Earth's heat balance, and ice motion across the ocean's surface transports fresh water and salt. The basic components in a complete sea-ice model must include vertical thermodynamics and horizontal dynamics, including a constitutive relation for the ice, advection and deformational processes. This overview surveys topics in sea-ice modeling from the global climate modeling perspective, emphasizing work that significantly advanced the state of the art and highlighting promising new developments. C1 [Hunke, Elizabeth C.; Lipscomb, William H.; Turner, Adrian K.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp T3, Los Alamos, NM 87545 USA. RP Hunke, EC (reprint author), Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp T3, POB 1663, Los Alamos, NM 87545 USA. EM eclare@lanl.gov NR 113 TC 14 Z9 15 U1 1 U2 15 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND SN 0022-1430 EI 1727-5652 J9 J GLACIOL JI J. Glaciol. PY 2010 VL 56 IS 200 SI SI BP 1162 EP 1172 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 818KP UT WOS:000294750900021 ER PT J AU Hayhoe, K Robson, M Rogula, J Auffhammer, M Miller, N VanDorn, J Wuebbles, D AF Hayhoe, Katharine Robson, Mark Rogula, John Auffhammer, Maximilian Miller, Norman VanDorn, Jeff Wuebbles, Donald TI An integrated framework for quantifying and valuing climate change impacts on urban energy and infrastructure: A Chicago case study SO JOURNAL OF GREAT LAKES RESEARCH LA English DT Article DE Climate change; Chicago; Urban; Energy; Infrastructure; Economic impacts ID DEMAND; TEMPERATURE; CANADA; METHODOLOGY; ADAPTATION; STRATEGIES; RESPONSES; ONTARIO; SECTOR; MODEL AB We use a quantitative modeling framework capable of translating increasing stress on energy demand and costs, infrastructure maintenance, and capital investments into economic impacts to estimate future climate change effects on urban infrastructure and economy. This framework enables quantitative estimates of the economic impacts of climate change based on observed relationships between key climate thresholds and their impacts on energy and infrastructure. Although the version presented here is based on information specific to city departments, the generalized modeling framework can be applied across entire urban and metro areas. For the City of Chicago, energy and infrastructure impacts, including both costs and savings, are driven primarily by increases in mean annual temperature and secondarily by increases in the frequency of extreme-heat events and decreases in cold days. With more frequent, severe, and longer periods of extreme-heat, annual average and peak electricity demands will increase. Aggregated costs for Chicago's maintenance, labor, and capital investments could be as much as 3.5 times greater under a higher (A1FI) emissions scenario as compared to the lower (B1) scenario. These differences highlight how even partial success at reducing emissions could produce a disproportionately large reduction in economic costs for the City, the Great Lakes Region, and the nation at large. At the same time, since a single city's mitigation efforts represent only a small proportion of what is required at the global scale, adaptation to anticipated changes is also essential. (c) 2010 Published by Elsevier B.V. C1 [Hayhoe, Katharine] Texas Tech Univ, Dept Geosci, Lubbock, TX 79409 USA. [Hayhoe, Katharine; VanDorn, Jeff] ATMOS Res & Consulting, Lubbock, TX 79490 USA. [Robson, Mark] Oliver Wyman, Toronto, ON M5J 2B5, Canada. [Rogula, John] Oliver Wyman, Chicago, IL 60606 USA. [Auffhammer, Maximilian] Univ Calif Berkeley, Dept Agr & Resource Econ, Berkeley, CA 94720 USA. [Miller, Norman] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Atmospher & Ocean Sci Grp, Berkeley, CA 94720 USA. [Wuebbles, Donald] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA. RP Hayhoe, K (reprint author), Texas Tech Univ, Dept Geosci, POB 41053, Lubbock, TX 79409 USA. EM katharine.hayhoe@ttu.edu; mark.robson@oliverwyman.com; john.rogula@oliverwyman.com; auffhammer@berkeley.edu; NLMiller@Berkeley.edu; vandorn@atmosresearch.com; wuebbles@atmos.uiuc.edu RI Johnson, Marnicia/M-5198-2014; Quezada, George/I-1106-2012 OI Quezada, George/0000-0002-4060-6109 NR 40 TC 13 Z9 13 U1 2 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0380-1330 J9 J GREAT LAKES RES JI J. Gt. Lakes Res. PY 2010 VL 36 SU 2 SI SI BP 94 EP 105 DI 10.1016/j.jglr.2010.03.011 PG 12 WC Environmental Sciences; Limnology; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA 671CE UT WOS:000283476600010 ER PT J AU Hopkins, PE AF Hopkins, Patrick E. TI Contributions of Inter- and Intraband Excitations to Electron Heat Capacity and Electron-Phonon Coupling in Noble Metals SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE conduction bands; electron-phonon interactions; Fermi level; laser beam effects; specific heat; transition metals ID TEMPERATURE MEASUREMENT; FEMTOSECOND; SUPERCONDUCTORS; NANOPARTICLES; DYNAMICS; FILMS; SIZE; GOLD; AU AB This work examines the effects of photonically induced interband excitations from the d-band to states at the Fermi energy on thermophysical properties in noble metals. The change in the electron population in the d-band and the conduction band causes a change in electron heat capacity and electron-phonon coupling factor, which in turn impacts the evolution of the temperature after pulse absorption and electron thermalization. Expressions for heat capacity and electron-phonon coupling factor are derived for electrons undergoing both inter- and intraband transitions. In noble metals, due to the large d-band to Fermi energy separation, the contributions to electron heat capacity and electron-phonon coupling factor of intra- and interband transitions can be separated. At high absorbed laser fluences and pulse energies greater than the interband transition threshold, the interband and intraband contributions to thermophysical properties differ. C1 Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. RP Hopkins, PE (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. EM pehopki@sandia.gov NR 33 TC 4 Z9 4 U1 0 U2 9 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD JAN PY 2010 VL 132 IS 1 AR 014504 DI 10.1115/1.3192133 PG 4 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 515XS UT WOS:000271506800020 ER PT J AU Aaron, FD Abramowicz, H Abt, I Adamczyk, L Adamus, M Al-daya Martin, M Alexa, C Andreev, V Antonelli, S Antonioli, P Antonov, A Antunovic, B Arneodo, M Aushev, V Bachynska, O Backovic, S Baghdasaryan, A Bamberger, A Barakbaev, AN Barbagli, G Bari, G Barreiro, F Barrelet, E Bartel, W Bartsch, D Basile, M Begzsuren, K Behnke, O Behr, J Behrens, U Bellagamba, L Belousov, A Bertolin, A Bhadra, S Bindi, M Bizot, JC Blohm, C Bold, T Boos, EG Borodin, M Borras, K Boscherini, D Bot, D Boudry, V Boutle, SK Bozovic-Jelisavcic, I Bracinik, J Brandt, G Brinkmann, M Brisson, V Brock, I Brownson, E Brugnera, R Brummer, N Bruncko, D Bruni, A Bruni, G Brzozowska, B Bunyatyan, A Buschhorn, G Bussey, PJ Butterworth, JM Bylsma, B Bystritskaya, L Caldwell, A Campbell, AJ Avila, KBC Capua, M Carlin, R Catterall, CD Cerny, K Cerny, V Chekanov, S Chekelian, V Cholewa, A Chwastowski, J Ciborowski, J Ciesielski, R Cifarelli, L Cindolo, F Contin, A Contreras, JG Cooper-Sarkar, AM Coppola, N Corradi, M Corriveau, F Costa, M Coughlan, JA Cozzika, G Cvach, J D'Agostini, G Dainton, JB Dal Corso, F Daum, K Deak, M de Favereau, J Delcourt, B del Peso, J Delvax, J Dementiev, RK De Pasquale, S Derrick, M Devenish, RCE De Wolf, EA Diaconu, C Dobur, D Dodonov, V Dolgoshein, BA Dossanov, A Doyle, AT Drugakov, V Dubak, A Durkin, LS Dusini, S Eckerlin, G Efremenko, V Egli, S Eisenberg, Y Eliseev, A Elsen, E Ermolov, PF Eskreys, A Falkiewicz, A Fang, S Favart, L Fazio, S Fedotov, A Felst, R Feltesse, J Ferencei, J Ferrando, J Ferrero, MI Figiel, J Fischer, DJ Fleischer, M Fomenko, A Forrest, M Foster, B Fourletov, S Gabathuler, E Galas, A Gallo, E Garfagnini, A Gayler, J Geiser, A Ghazaryan, S Gialas, I Gladilin, LK Gladkov, D Glasman, C Glazov, A Glushkov, I Goerlich, L Gogitidze, N Golubkov, YA Gottlicher, P Gouzevitch, M Grab, C Grabowska-Bold, I Grebenyuk, J Greenshaw, T Gregor, I Grell, BR Grigorescu, G Grindhammer, G Grzelak, G Gwenlan, C Haas, T Habib, S Haidt, D Hain, W Hamatsu, R Hart, JC Hartmann, H Hartner, G Helebrant, C Henderson, RCW Hennekemper, E Henschel, H Herbst, M Herrera, G Hildebrandt, M Hilger, E Hiller, KH Hochman, D Hoffmann, D Holm, U Hori, R Horisberger, R Horton, K Hreus, T Huttmann, A Iacobucci, G Ibrahim, ZA Iga, Y Ingbir, R Ishitsuka, M Jacquet, M Jakob, HP Janssen, X Januschek, F Jimenez, M Jones, TW Jonsson, L Jung, AW Jung, H Jungst, M Kadenko, I Kahle, B Kamaluddin, B Kananov, S Kanno, T Kapichine, M Karshon, U Karstens, F Katkov, II Katzy, J Kaur, M Kaur, P Kenyon, IR Keramidas, A Khein, LA Kiesling, C Kim, JY Kisielewska, D Kitamura, S Klanner, R Klein, M Klein, U Kleinwort, C Kluge, T Knutsson, A Koffeman, E Kogler, R Kollar, D Kooijman, P Korol, I Korzhavina, IA Kostka, P Kotanski, A Kotz, U Kowalski, H Kraemer, M Krastev, K Kretzschmar, J Kropivnitskaya, A Kruger, K Kulinski, P Kuprash, O Kutak, K Kuze, M Kuzmin, VA Landon, MPJ Lange, W Lastovicka-Medin, G Laycock, P Lebedev, A Lee, A Lendermann, V Levchenko, BB Levonian, S Levy, A Li, G Libov, V Limentani, S Ling, TY Lipka, K Liptaj, A Lisovyi, M List, B List, J Lobodzinska, E Lohmann, W Lohr, B Lohrmann, E Loizides, JH Loktionova, N Long, KR Longhin, A Lontkovskyi, D Lopez-Fernandez, R Lubimov, V Lukasik, J Lukina, OY Luzniak, P Maeda, J Magill, S Makankine, A Makarenko, I Malinovski, E Malka, J Mankel, R Marage, P Margotti, A Marini, G Marti, L Martin, JF Martyn, HU Mastroberardino, A Matsumoto, T Mattingly, MCK Maxfield, SJ Mehta, A Melzer-Pellmann, IA Meyer, AB Meyer, H Meyer, H Meyer, J Miglioranzi, S Mikocki, S Milcewicz-Mika, I Idris, FM Monaco, V Montanari, A Moreau, F Morozov, A Morris, JD Morris, JV Mozer, MU Mudrinic, M Muller, K Murin, P Musgrave, B Nagano, K Namsoo, T Nania, R Naumann, T Newman, PR Nicholass, D Niebuhr, C Nigro, A Nikiforov, A Nikitin, D Ning, Y Noor, U Notz, D Nowak, G Nowak, K Nowak, RJ Nuncio-Quiroz, AE Oh, BY Okazaki, N Oliver, K Olkiewicz, K Olsson, JE Onishchuk, Y Osman, S Ota, O Ozerov, D Palichik, V Panagoulias, I Pandurovic, M Papadopoulou, T Papageorgiu, K Parenti, A Pascaud, C Patel, GD Paul, E Pawlak, JM Pawlik, B Pejchal, O Pelfer, PG Pellegrino, A Perez, E Perlanski, W Perrey, H Petrukhin, A Picuric, I Piec, S Piotrzkowski, K Pitzl, D Placakyte, R Plucinski, P Pokorny, B Pokrovskiy, NS Polifka, R Polini, A Povh, B Proskuryakov, AS Przybycien, M Radescu, V Rahmat, AJ Raicevic, N Raspiareza, A Raval, A Ravdandorj, T Reeder, DD Reimer, P Reisert, B Ren, Z Repond, J Ri, YD Rizvi, E Robertson, A Robmann, P Roland, B Roloff, P Ron, E Roosen, R Rostovtsev, A Rotaru, M Rubinsky, I Tabasco, JER Rusakov, S Ruspa, M Sacchi, R Salek, D Salii, A Samson, U Sankey, DPC Sartorelli, G Sauter, M Sauvan, E Savin, AA Saxon, DH Schioppa, M Schlenstedt, S Schleper, P Schmidke, WB Schmitt, S Schneekloth, U Schoeffel, L Schonberg, V Schoning, A Schorner-Sadenius, T Schultz-Coulon, HC Schwartz, J Sciulli, F Sefkow, F Shaw-West, RN Shcheglova, LM Shehzadi, R Shimizu, S Shtarkov, LN Shushkevich, S Singh, I Skillicorn, IO Sloan, T Slominski, W Smiljanic, I Smith, WH Sola, V Solano, A Soloviev, Y Son, D Sopicki, P Sorokin, I Sosnovtsev, V South, D Spaskov, V Specka, A Spiridonov, A Stadie, H Stanco, L Staykova, Z Steder, M Stella, B Stern, A Stewart, TP Stifutkin, A Stoicea, G Stopa, P Straumann, U Suchkov, S Sunar, D Susinno, G Suszycki, L Sykora, T Sztuk, J Szuba, D Szuba, J Tapper, AD Tassi, E Tchoulakov, V Terron, J Theedt, T Thompson, G Thompson, PD Tiecke, H Tokushuku, K Toll, T Tomasz, F Tomaszewska, J Tran, TH Traynor, D Trinh, TN Truol, P Tsakov, I Tseepeldorj, B Tsurugai, T Turcato, M Turnau, J Tymieniecka, T Urban, K Uribe-Estrada, C Valkarova, A Vallee, C Van Mechelen, P Trevino, AV Vazdik, Y Vazquez, M Verbytskyi, A Viazlo, V Vinokurova, S Vlasov, NN Volchinski, V Volynets, O von den Driesch, M Walczak, R Abdullah, WATW Wegener, D Whitmore, JJ Whyte, J Wiggers, L Wing, M Wissing, C Wlasenko, M Wolf, G Wolfe, H Wrona, K Wunsch, E Yagues-Molina, AG Yamada, S Yamazaki, Y Yoshida, R Youngman, C Zacek, J Zalesak, J Zarnecki, AF Zawiejski, L Zeniaev, O Zeuner, W Zhang, Z Zhautykov, BO Zhokin, A Zhou, C Zichichi, A Zimmermann, T Zohrabyan, H Zolko, M Zomer, F Zotkin, DS AF Aaron, F. D. Abramowicz, H. Abt, I. Adamczyk, L. Adamus, M. Al-daya Martin, M. Alexa, C. Andreev, V. Antonelli, S. Antonioli, P. Antonov, A. Antunovic, B. Arneodo, M. Aushev, V. Bachynska, O. Backovic, S. Baghdasaryan, A. Bamberger, A. Barakbaev, A. N. Barbagli, G. Bari, G. Barreiro, F. Barrelet, E. Bartel, W. Bartsch, D. Basile, M. Begzsuren, K. Behnke, O. Behr, J. Behrens, U. Bellagamba, L. Belousov, A. Bertolin, A. Bhadra, S. Bindi, M. Bizot, J. C. Blohm, C. Bold, T. Boos, E. G. Borodin, M. Borras, K. Boscherini, D. Bot, D. Boudry, V. Boutle, S. K. Bozovic-Jelisavcic, I. Bracinik, J. Brandt, G. Brinkmann, M. Brisson, V. Brock, I. Brownson, E. Brugnera, R. Bruemmer, N. Bruncko, D. Bruni, A. Bruni, G. Brzozowska, B. Bunyatyan, A. Buschhorn, G. Bussey, P. J. Butterworth, J. M. Bylsma, B. Bystritskaya, L. Caldwell, A. Campbell, A. J. Cantun Avila, K. B. Capua, M. Carlin, R. Catterall, C. D. Cerny, K. Cerny, V. Chekanov, S. Chekelian, V. Cholewa, A. Chwastowski, J. Ciborowski, J. Ciesielski, R. Cifarelli, L. Cindolo, F. Contin, A. Contreras, J. G. Cooper-Sarkar, A. M. Coppola, N. Corradi, M. Corriveau, F. Costa, M. Coughlan, J. A. Cozzika, G. Cvach, J. D'Agostini, G. Dainton, J. B. Dal Corso, F. Daum, K. Deak, M. de Favereau, J. Delcourt, B. del Peso, J. Delvax, J. Dementiev, R. K. De Pasquale, S. Derrick, M. Devenish, R. C. E. De Wolf, E. A. Diaconu, C. Dobur, D. Dodonov, V. Dolgoshein, B. A. Dossanov, A. Doyle, A. T. Drugakov, V. Dubak, A. Durkin, L. S. Dusini, S. Eckerlin, G. Efremenko, V. Egli, S. Eisenberg, Y. Eliseev, A. Elsen, E. Ermolov, P. F. Eskreys, A. Falkiewicz, A. Fang, S. Favart, L. Fazio, S. Fedotov, A. Felst, R. Feltesse, J. Ferencei, J. Ferrando, J. Ferrero, M. I. Figiel, J. Fischer, D. -J. Fleischer, M. Fomenko, A. Forrest, M. Foster, B. Fourletov, S. Gabathuler, E. Galas, A. Gallo, E. Garfagnini, A. Gayler, J. Geiser, A. Ghazaryan, S. Gialas, I. Gladilin, L. K. Gladkov, D. Glasman, C. Glazov, A. Glushkov, I. Goerlich, L. Gogitidze, N. Golubkov, Yu. A. Goettlicher, P. Gouzevitch, M. Grab, C. Grabowska-Bold, I. Grebenyuk, J. Greenshaw, T. Gregor, I. Grell, B. R. Grigorescu, G. Grindhammer, G. Grzelak, G. Gwenlan, C. Haas, T. Habib, S. Haidt, D. Hain, W. Hamatsu, R. Hart, J. C. Hartmann, H. Hartner, G. Helebrant, C. Henderson, R. C. W. Hennekemper, E. Henschel, H. Herbst, M. Herrera, G. Hildebrandt, M. Hilger, E. Hiller, K. H. Hochman, D. Hoffmann, D. Holm, U. Hori, R. Horisberger, R. Horton, K. Hreus, T. Huettmann, A. Iacobucci, G. Ibrahim, Z. A. Iga, Y. Ingbir, R. Ishitsuka, M. Jacquet, M. Jakob, H. -P. Janssen, X. Januschek, F. Jimenez, M. Jones, T. W. Jonsson, L. Jung, A. W. Jung, H. Juengst, M. Kadenko, I. Kahle, B. Kamaluddin, B. Kananov, S. Kanno, T. Kapichine, M. Karshon, U. Karstens, F. Katkov, I. I. Katzy, J. Kaur, M. Kaur, P. Kenyon, I. R. Keramidas, A. Khein, L. A. Kiesling, C. Kim, J. Y. Kisielewska, D. Kitamura, S. Klanner, R. Klein, M. Klein, U. Kleinwort, C. Kluge, T. Knutsson, A. Koffeman, E. Kogler, R. Kollar, D. Kooijman, P. Korol, Ie. Korzhavina, I. A. Kostka, P. Kotanski, A. Koetz, U. Kowalski, H. Kraemer, M. Krastev, K. Kretzschmar, J. Kropivnitskaya, A. Krueger, K. Kulinski, P. Kuprash, O. Kutak, K. Kuze, M. Kuzmin, V. A. Landon, M. P. J. Lange, W. Lastovicka-Medin, G. Laycock, P. Lebedev, A. Lee, A. Lendermann, V. Levchenko, B. B. Levonian, S. Levy, A. Li, G. Libov, V. Limentani, S. Ling, T. Y. Lipka, K. Liptaj, A. Lisovyi, M. List, B. List, J. Lobodzinska, E. Lohmann, W. Loehr, B. Lohrmann, E. Loizides, J. H. Loktionova, N. Long, K. R. Longhin, A. Lontkovskyi, D. Lopez-Fernandez, R. Lubimov, V. Lukasik, J. Lukina, O. Yu. Luzniak, P. Maeda, J. Magill, S. Makankine, A. Makarenko, I. Malinovski, E. Malka, J. Mankel, R. Marage, P. Margotti, A. Marini, G. Marti, Ll. Martin, J. F. Martyn, H. -U. Mastroberardino, A. Matsumoto, T. Mattingly, M. C. K. Maxfield, S. J. Mehta, A. Melzer-Pellmann, I. -A. Meyer, A. B. Meyer, H. Meyer, H. Meyer, J. Miglioranzi, S. Mikocki, S. Milcewicz-Mika, I. Idris, F. Mohamad Monaco, V. Montanari, A. Moreau, F. Morozov, A. Morris, J. D. Morris, J. V. Mozer, M. U. Mudrinic, M. Mueller, K. Murin, P. Musgrave, B. Nagano, K. Namsoo, T. Nania, R. Naumann, Th. Newman, P. R. Nicholass, D. Niebuhr, C. Nigro, A. Nikiforov, A. Nikitin, D. Ning, Y. Noor, U. Notz, D. Nowak, G. Nowak, K. Nowak, R. J. Nuncio-Quiroz, A. E. Oh, B. Y. Okazaki, N. Oliver, K. Olkiewicz, K. Olsson, J. E. Onishchuk, Yu. Osman, S. Ota, O. Ozerov, D. Palichik, V. Panagoulias, I. Pandurovic, M. Papadopoulou, Th. Papageorgiu, K. Parenti, A. Pascaud, C. Patel, G. D. Paul, E. Pawlak, J. M. Pawlik, B. Pejchal, O. Pelfer, P. G. Pellegrino, A. Perez, E. Perlanski, W. Perrey, H. Petrukhin, A. Picuric, I. Piec, S. Piotrzkowski, K. Pitzl, D. Placakyte, R. Plucinski, P. Pokorny, B. Pokrovskiy, N. S. Polifka, R. Polini, A. Povh, B. Proskuryakov, A. S. Przybycien, M. Radescu, V. Rahmat, A. J. Raicevic, N. Raspiareza, A. Raval, A. Ravdandorj, T. Reeder, D. D. Reimer, P. Reisert, B. Ren, Z. Repond, J. Ri, Y. D. Rizvi, E. Robertson, A. Robmann, P. Roland, B. Roloff, P. Ron, E. Roosen, R. Rostovtsev, A. Rotaru, M. Rubinsky, I. Ruiz Tabasco, J. E. Rusakov, S. Ruspa, M. Sacchi, R. Salek, D. Salii, A. Samson, U. Sankey, D. P. C. Sartorelli, G. Sauter, M. Sauvan, E. Savin, A. A. Saxon, D. H. Schioppa, M. Schlenstedt, S. Schleper, P. Schmidke, W. B. Schmitt, S. Schneekloth, U. Schoeffel, L. Schoenberg, V. Schoening, A. Schoerner-Sadenius, T. Schultz-Coulon, H. -C. Schwartz, J. Sciulli, F. Sefkow, F. Shaw-West, R. N. Shcheglova, L. M. Shehzadi, R. Shimizu, S. Shtarkov, L. N. Shushkevich, S. Singh, I. Skillicorn, I. O. Sloan, T. Slominski, W. Smiljanic, I. Smith, W. H. Sola, V. Solano, A. Soloviev, Y. Son, D. Sopicki, P. Sorokin, Iu. Sosnovtsev, V. South, D. Spaskov, V. Specka, A. Spiridonov, A. Stadie, H. Stanco, L. Staykova, Z. Steder, M. Stella, B. Stern, A. Stewart, T. P. Stifutkin, A. Stoicea, G. Stopa, P. Straumann, U. Suchkov, S. Sunar, D. Susinno, G. Suszycki, L. Sykora, T. Sztuk, J. Szuba, D. Szuba, J. Tapper, A. D. Tassi, E. Tchoulakov, V. Terron, J. Theedt, T. Thompson, G. Thompson, P. D. Tiecke, H. Tokushuku, K. Toll, T. Tomasz, F. Tomaszewska, J. Tran, T. H. Traynor, D. Trinh, T. N. Truoel, P. Tsakov, I. Tseepeldorj, B. Tsurugai, T. Turcato, M. Turnau, J. Tymieniecka, T. Urban, K. Uribe-Estrada, C. Valkarova, A. Vallee, C. Van Mechelen, P. Trevino, A. Vargas Vazdik, Y. Vazquez, M. Verbytskyi, A. Viazlo, V. Vinokurova, S. Vlasov, N. N. Volchinski, V. Volynets, O. von den Driesch, M. Walczak, R. Abdullah, W. A. T. Wan Wegener, D. Whitmore, J. J. Whyte, J. Wiggers, L. Wing, M. Wissing, Ch. Wlasenko, M. Wolf, G. Wolfe, H. Wrona, K. Wuensch, E. Yaguees-Molina, A. G. Yamada, S. Yamazaki, Y. Yoshida, R. Youngman, C. Zacek, J. Zalesak, J. Zarnecki, A. F. Zawiejski, L. Zeniaev, O. Zeuner, W. Zhang, Z. Zhautykov, B. O. Zhokin, A. Zhou, C. Zichichi, A. Zimmermann, T. Zohrabyan, H. Zolko, M. Zomer, F. Zotkin, D. S. CA H1 Collaboration ZEUS Colloboration TI Combined measurement and QCD analysis of the inclusive e(+/-)p scattering cross sections at HERA SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Lepton-Nucleon Scattering ID DEEP-INELASTIC SCATTERING; F-2 STRUCTURE-FUNCTION; LOW Q(2); LOW X; PROTON COLLISIONS; E(+)P SCATTERING; EP SCATTERING; ALPHA(S); DETECTOR; PHYSICS AB A combination is presented of the inclusive deep inelastic cross sections measured by the H1 and ZEUS Collaborations in neutral and charged current unpolarised e(+/-)p scattering at HERA during the period 1994-2000. The data span six orders of magnitude in negative four-momentum-transfer squared, Q(2), and in Bjorken x. The combination method used takes the correlations of systematic uncertainties into account, resulting in an improved accuracy. The combined data are the sole input in a NLO QCD analysis which determines a new set of parton distributions, HERAPDF1.0, with small experimental uncertainties. This set includes an estimate of the model and parametrisation uncertainties of the fit result. C1 [Martyn, H. -U.] Rhein Westfal TH Aachen, Inst Phys, Aachen, Germany. [Barakbaev, A. N.; Boos, E. G.; Pokrovskiy, N. S.; Zhautykov, B. O.] Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. [Grigorescu, G.; Keramidas, A.; Koffeman, E.; Kooijman, P.; Pellegrino, A.; Tiecke, H.; Vazquez, M.; Wiggers, L.] NIKHEF H, NL-1009 DB Amsterdam, Netherlands. [Grigorescu, G.; Keramidas, A.; Koffeman, E.; Kooijman, P.; Pellegrino, A.; Tiecke, H.; Vazquez, M.; Wiggers, L.] Univ Amsterdam, Amsterdam, Netherlands. [Chekanov, S.; Derrick, M.; Magill, S.; Musgrave, B.; Nicholass, D.; Repond, J.; Yoshida, R.] Argonne Natl Lab, Argonne, IL 60439 USA. [Bozovic-Jelisavcic, I.; Mudrinic, M.; Pandurovic, M.; Smiljanic, I.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Mattingly, M. C. K.] Andrews Univ, Berrien Springs, MI 49104 USA. [Bracinik, J.; Kenyon, I. R.; Newman, P. R.; Shaw-West, R. N.; Thompson, P. D.] Univ Birmingham, Sch Phys & Astron, Birmingham, W Midlands, England. [Antonioli, P.; Bari, G.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Cindolo, F.; Corradi, M.; Iacobucci, G.; Margotti, A.; Nania, R.; Polini, A.] Ist Nazl Fis Nucl, I-40126 Bologna, Italy. [Antonelli, S.; Basile, M.; Bindi, M.; Cifarelli, L.; Contin, A.; De Pasquale, S.; Zichichi, A.] Univ & INFN Bologna, Bologna, Italy. [Bartsch, D.; Brock, I.; Hartmann, H.; Hilger, E.; Jakob, H. -P.; Juengst, M.; Nuncio-Quiroz, A. E.; Paul, E.; Samson, U.; Schoenberg, V.; Schoening, A.; Shehzadi, R.; Wlasenko, M.] Univ Bonn, Inst Phys, D-5300 Bonn, Germany. [Morris, J. D.] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. [Delvax, J.; De Wolf, E. A.; Favart, L.; Hreus, T.; Janssen, X.; Marage, P.; Mozer, M. U.; Roland, B.; Roosen, R.; Sunar, D.; Sykora, T.; Van Mechelen, P.] ULB VUB, Interuniv Inst High Energies, Brussels, Belgium. [Delvax, J.; De Wolf, E. A.; Favart, L.; Hreus, T.; Janssen, X.; Marage, P.; Mozer, M. U.; Roland, B.; Roosen, R.; Sunar, D.; Sykora, T.; Van Mechelen, P.] Univ Antwerp, B-2020 Antwerp, Belgium. [Aaron, F. D.; Alexa, C.; Rotaru, M.; Stoicea, G.] Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Kaur, M.; Kaur, P.; Singh, I.] Panjab Univ, Chandigarh 160014, India. [Gialas, I.; Papageorgiu, K.] Univ Aegean, Dept Engn Management & Finance, Chios, Greece. [Bruemmer, N.; Bylsma, B.; Durkin, L. S.; Lee, A.; Ling, T. Y.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Capua, M.; Fazio, S.; Mastroberardino, A.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dept Phys, I-87036 Cosenza, Italy. [Capua, M.; Fazio, S.; Mastroberardino, A.; Schioppa, M.; Susinno, G.; Tassi, E.] Ist Nazl Fis Nucl, Cosenza, Italy. [Chwastowski, J.; Eskreys, A.; Falkiewicz, A.; Figiel, J.; Galas, A.; Goerlich, L.; Mikocki, S.; Milcewicz-Mika, I.; Nowak, G.; Olkiewicz, K.; Pawlik, B.; Sopicki, P.; Stopa, P.; Turnau, J.; Zawiejski, L.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Adamczyk, L.; Bold, T.; Grabowska-Bold, I.; Kisielewska, D.; Lukasik, J.; Przybycien, M.; Suszycki, L.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Kotanski, A.; Slominski, W.] Jagiellonian Univ, Dept Phys, Krakow, Poland. [Son, D.] Kyungpook Natl Univ, Ctr High Energy Phys, Taegu, South Korea. [Coughlan, J. A.; Hart, J. C.; Morris, J. V.; Sankey, D. P. C.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [South, D.; Wegener, D.] TU Dortmund, Inst Phys, Dortmund, Germany. [Kapichine, M.; Makankine, A.; Morozov, A.; Nikitin, D.; Palichik, V.; Spaskov, V.; Tchoulakov, V.] Joint Inst Nucl Res, Dubna, Russia. [Barbagli, G.; Gallo, E.] Ist Nazl Fis Nucl, I-50125 Florence, Italy. [Pelfer, P. G.] Univ & INFN Florence, Florence, Italy. [Bamberger, A.; Dobur, D.; Karstens, F.; Vlasov, N. N.] Univ Freiburg, Fak Phys, D-7800 Freiburg, Germany. [Cozzika, G.; Feltesse, J.; Perez, E.; Schoeffel, L.] CEA, CE Saclay, DSM Irfu, Gif Sur Yvette, France. [Bussey, P. J.; Doyle, A. T.; Forrest, M.; Saxon, D. H.; Skillicorn, I. O.] Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. [Brinkmann, M.; Habib, S.; Holm, U.; Klanner, R.; List, B.; Lohrmann, E.; Perrey, H.; Pokorny, B.; Schleper, P.; Schoerner-Sadenius, T.; Stadie, H.; Sztuk, J.; Toll, T.; Turcato, M.] Univ Hamburg, Inst Expt Phys, Hamburg, Germany. [Al-daya Martin, M.; Antunovic, B.; Bachynska, O.; Bartel, W.; Behnke, O.; Behr, J.; Behrens, U.; Blohm, C.; Borras, K.; Bot, D.; Brandt, G.; Campbell, A. J.; Cholewa, A.; Ciesielski, R.; Coppola, N.; Deak, M.; Eckerlin, G.; Elsen, E.; Fang, S.; Felst, R.; Fischer, D. -J.; Fleischer, M.; Gayler, J.; Geiser, A.; Ghazaryan, S.; Glazov, A.; Goettlicher, P.; Gouzevitch, M.; Grebenyuk, J.; Gregor, I.; Grell, B. R.; Haas, T.; Haidt, D.; Hain, W.; Helebrant, C.; Huettmann, A.; Januschek, F.; Jung, H.; Kahle, B.; Katkov, I. I.; Katzy, J.; Klein, U.; Kleinwort, C.; Knutsson, A.; Koetz, U.; Kowalski, H.; Kraemer, M.; Krastev, K.; Kutak, K.; Levonian, S.; Libov, V.; Lipka, K.; Lisovyi, M.; List, J.; Lobodzinska, E.; Loehr, B.; Mankel, R.; Marti, Ll.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Meyer, H.; Meyer, J.; Miglioranzi, S.; Montanari, A.; Namsoo, T.; Niebuhr, C.; Nikiforov, A.; Notz, D.; Olsson, J. E.; Panagoulias, I.; Papadopoulou, Th.; Parenti, A.; Pitzl, D.; Placakyte, R.; Radescu, V.; Raval, A.; Roloff, P.; Rubinsky, I.; Schmitt, S.; Schneekloth, U.; Sefkow, F.; Spiridonov, A.; Staykova, Z.; Steder, M.; Szuba, D.; Szuba, J.; Theedt, T.; Tomaszewska, J.; Trevino, A. Vargas; Verbytskyi, A.; Vinokurova, S.; von den Driesch, M.; Wissing, Ch.; Wolf, G.; Wrona, K.; Wuensch, E.; Yaguees-Molina, A. G.; Youngman, C.; Zeuner, W.] DESY, D-2000 Hamburg, Germany. [Bunyatyan, A.; Dodonov, V.; Povh, B.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Hennekemper, E.; Herbst, M.; Jung, A. W.; Krueger, K.; Lendermann, V.; Schultz-Coulon, H. -C.; Urban, K.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Ning, Y.; Ren, Z.; Sciulli, F.] Columbia Univ, Nevis Labs, New York, NY 10027 USA. [Aushev, V.; Borodin, M.; Kadenko, I.; Korol, Ie.; Kuprash, O.; Lontkovskyi, D.; Makarenko, I.; Onishchuk, Yu.; Salii, A.; Sorokin, Iu.; Viazlo, V.; Volynets, O.; Zeniaev, O.; Zolko, M.] Natl Acad Sci, Inst Nucl Res, Kiev, Ukraine. [Aushev, V.; Borodin, M.; Kadenko, I.; Korol, Ie.; Kuprash, O.; Lontkovskyi, D.; Makarenko, I.; Onishchuk, Yu.; Salii, A.; Sorokin, Iu.; Viazlo, V.; Volynets, O.; Zeniaev, O.; Zolko, M.] Kiev Natl Univ, Kiev, Ukraine. [Bruncko, D.; Cerny, V.; Ferencei, J.; Murin, P.; Tomasz, F.] Slovak Acad Sci, Inst Expt Phys, Kosice 04353, Slovakia. [Ibrahim, Z. A.; Kamaluddin, B.; Idris, F. Mohamad; Abdullah, W. A. T. Wan] Univ Malaya, Kuala Lumpur 50603, Malaysia. [Kim, J. Y.] Chonnam Natl Univ, Kwangju, South Korea. [Henderson, R. C. W.; Sloan, T.] Univ Lancaster, Dept Phys, Lancaster, England. [Dainton, J. B.; Gabathuler, E.; Greenshaw, T.; Klein, M.; Kluge, T.; Kretzschmar, J.; Laycock, P.; Maxfield, S. J.; Mehta, A.; Patel, G. D.; Rahmat, A. J.] Univ Liverpool, Dept Phys, Liverpool L69 3BX, Merseyside, England. [Boutle, S. K.; Butterworth, J. M.; Jones, T. W.; Loizides, J. H.; Wing, M.] UCL, Dept Phys & Astron, London, England. [Landon, M. P. J.; Rizvi, E.; Thompson, G.; Traynor, D.] Queen Mary Univ London, London E1 4NS, England. [Long, K. R.; Tapper, A. D.] Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. [de Favereau, J.; Piotrzkowski, K.] Catholic Univ Louvain, Inst Phys Nucl, B-1348 Louvain, Belgium. [Jonsson, L.; Osman, S.] Lund Univ, Dept Phys, Lund, Sweden. [Cantun Avila, K. B.; Contreras, J. G.; Ruiz Tabasco, J. E.] CINVESTAV, Dept Fis Aplicada, Merida, Yucatan, Mexico. [Herrera, G.; Lopez-Fernandez, R.] CINVESTAV, Dept Fis, Mexico City 14000, DF, Mexico. [Brownson, E.; Reeder, D. D.; Savin, A. A.; Smith, W. H.; Wolfe, H.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Barreiro, F.; del Peso, J.; Glasman, C.; Jimenez, M.; Ron, E.; Terron, J.; Uribe-Estrada, C.] Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. [Diaconu, C.; Hoffmann, D.; Sauvan, E.; Trinh, T. N.; Vallee, C.] Univ Aix Marseille 2, IN2P3, CNRS, CPPM, Marseille, France. [Corriveau, F.; Schwartz, J.; Zhou, C.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Bystritskaya, L.; Efremenko, V.; Fedotov, A.; Kropivnitskaya, A.; Lubimov, V.; Ozerov, D.; Petrukhin, A.; Rostovtsev, A.; Zhokin, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Andreev, V.; Belousov, A.; Eliseev, A.; Fomenko, A.; Gogitidze, N.; Lebedev, A.; Loktionova, N.; Malinovski, E.; Rusakov, S.; Shtarkov, L. N.; Soloviev, Y.; Vazdik, Y.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Antonov, A.; Dolgoshein, B. A.; Gladkov, D.; Sosnovtsev, V.; Stifutkin, A.; Suchkov, S.] Moscow Engn Phys Inst, Moscow 115409, Russia. [Dementiev, R. K.; Ermolov, P. F.; Gladilin, L. K.; Golubkov, Yu. A.; Khein, L. A.; Korzhavina, I. A.; Kuzmin, V. A.; Levchenko, B. B.; Lukina, O. Yu.; Proskuryakov, A. S.; Shcheglova, L. M.; Zotkin, D. S.] Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow, Russia. [Abt, I.; Buschhorn, G.; Caldwell, A.; Chekelian, V.; Dossanov, A.; Dubak, A.; Grindhammer, G.; Kiesling, C.; Kogler, R.; Kollar, D.; Liptaj, A.; Raspiareza, A.; Reisert, B.; Schmidke, W. B.; Shushkevich, S.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bizot, J. C.; Brisson, V.; Delcourt, B.; Jacquet, M.; Li, G.; Pascaud, C.; Tran, T. H.; Zhang, Z.; Zomer, F.] Univ Paris 11, CNRS, LAL, IN2P3, F-91405 Orsay, France. [Cooper-Sarkar, A. M.; Devenish, R. C. E.; Ferrando, J.; Foster, B.; Gwenlan, C.; Horton, K.; Oliver, K.; Robertson, A.; Walczak, R.] Univ Oxford, Dept Phys, Oxford, England. [Bertolin, A.; Dal Corso, F.; Dusini, S.; Longhin, A.; Stanco, L.] Ist Nazl Fis Nucl, Padua, Italy. [Brugnera, R.; Carlin, R.; Garfagnini, A.; Limentani, S.] Univ & INFN, Dipartimento Fis, Padua, Italy. [Boudry, V.; Moreau, F.; Specka, A.] Ecole Polytech, CNRS, LLR, IN2P3, F-91128 Palaiseau, France. [Barrelet, E.] Univ Paris 06, CNRS, LPNHE, IN2P3, Paris, France. [Barrelet, E.] Univ Paris 07, CNRS, LPNHE, IN2P3, Paris, France. [Backovic, S.; Dubak, A.; Lastovicka-Medin, G.; Picuric, I.; Raicevic, N.] Univ Montenegro, Fac Sci, Podgorica, Montenegro. [Cvach, J.; Reimer, P.; Zalesak, J.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Cerny, K.; Pejchal, O.; Polifka, R.; Salek, D.; Valkarova, A.; Zacek, J.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Eisenberg, Y.; Hochman, D.; Karshon, U.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Stella, B.] Univ Roma Tre, Dipartimento Fis, Rome, Italy. [Stella, B.] INFN Roma 3, Rome, Italy. [D'Agostini, G.; Marini, G.; Nigro, A.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [D'Agostini, G.; Marini, G.; Nigro, A.] Ist Nazl Fis Nucl, Rome, Italy. [Iga, Y.] Polytech Univ, Sagamihara, Kanagawa, Japan. [Tsakov, I.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Abramowicz, H.; Ingbir, R.; Kananov, S.; Levy, A.; Stern, A.] Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys, IL-69978 Tel Aviv, Israel. [Ishitsuka, M.; Kanno, T.; Kuze, M.; Maeda, J.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [Hori, R.; Okazaki, N.; Shimizu, S.] Univ Tokyo, Dept Phys, Tokyo 113, Japan. [Hamatsu, R.; Kitamura, S.; Ota, O.; Ri, Y. D.] Tokyo Metropolitan Univ, Dept Phys, Tokyo, Japan. [Costa, M.; Ferrero, M. I.; Monaco, V.; Sacchi, R.; Sola, V.; Solano, A.] Ist Nazl Fis Nucl, I-10125 Turin, Italy. [Costa, M.; Ferrero, M. I.; Monaco, V.; Sacchi, R.; Sola, V.; Solano, A.] Univ Turin, Turin, Italy. [Arneodo, M.; Ruspa, M.] Univ Piemonte Orientale Novara & INFN, Turin, Italy. [Fourletov, S.; Martin, J. F.; Stewart, T. P.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Matsumoto, T.; Nagano, K.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.] Natl Lab High Energy Phys, KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki 305, Japan. [Begzsuren, K.; Ravdandorj, T.; Tseepeldorj, B.] Mongolian Acad Sci, Inst Phys & Technol, Ulaanbaatar, Mongol Peo Rep. [Oh, B. Y.; Whitmore, J. J.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Egli, S.; Hildebrandt, M.; Horisberger, R.] Paul Scherrer Inst, Villigen, Switzerland. [Brzozowska, B.; Ciborowski, J.; Grzelak, G.; Kulinski, P.; Luzniak, P.; Malka, J.; Nowak, R. J.; Pawlak, J. M.; Perlanski, W.; Zarnecki, A. F.] Warsaw Univ, Inst Expt Phys, Warsaw, Poland. [Adamus, M.; Plucinski, P.; Tymieniecka, T.] Inst Nucl Studies, PL-00681 Warsaw, Poland. [Daum, K.; Meyer, H.] Univ Wuppertal, Fachbereich C, Wuppertal, Germany. [Baghdasaryan, A.; Bunyatyan, A.; Volchinski, V.; Zohrabyan, H.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Tsurugai, T.] Meiji Gakuin Univ, Fac Gen Educ, Yokohama, Kanagawa, Japan. [Bhadra, S.; Catterall, C. D.; Hartner, G.; Noor, U.; Whyte, J.] York Univ, Dept Phys, N York, ON M3J 1P3, Canada. [Drugakov, V.; Glushkov, I.; Henschel, H.; Hiller, K. H.; Kostka, P.; Lange, W.; Lohmann, W.; Naumann, Th.; Piec, S.; Schlenstedt, S.] DESY, Zeuthen, Germany. [Grab, C.; Zimmermann, T.] ETH, Inst Teilchenphys, Zurich, Switzerland. [Mueller, K.; Nowak, K.; Robmann, P.; Straumann, U.; Truoel, P.] Univ Zurich, Inst Phys, Zurich, Switzerland. [Panagoulias, I.; Papadopoulou, Th.] Natl Tech Univ Athens, Dept Phys, GR-15773 Athens, Greece. [Daum, K.] Univ Wuppertal, Rechenzentrum, Wuppertal, Germany. [Hreus, T.; Murin, P.] Safarik Univ, Kosice, Slovakia. [Perez, E.] CERN, Geneva, Switzerland. [Cerny, V.] Comenius Univ, Bratislava, Slovakia. [Feltesse, J.] Univ Hamburg, Helmholtz Humboldt Res Award, Hamburg, Germany. [Aaron, F. D.] Univ Bucharest, Fac Phys, Bucharest, Romania. [Tseepeldorj, B.] Ulaanbaatar Univ, Ulaanbaatar, Mongol Peo Rep. [Szuba, D.] INP, Krakow, Poland. [Szuba, J.] AGH Univ Sci & Technol, FPACS, Krakow, Poland. [Ciborowski, J.] Univ Lodz, PL-90131 Lodz, Poland. [Tymieniecka, T.] Univ Podlasie, Siedlce, Poland. [Kaur, P.; Singh, I.] Max Planck Inst, Munich, Germany. RP Aaron, FD (reprint author), Rhein Westfal TH Aachen, Inst Phys, Aachen, Germany. EM sschmitt@mail.desy.de RI Fomenko, Alexander/I-7900-2014; Lebedev, Andrey/M-9710-2015; Malinovski, Evgenii/N-1034-2015; Gogitidze, Nelli/N-1224-2015; Eliseev, Alexandr/N-2090-2015; Belousov, Anatoli/N-2102-2015; Vazdik, Iakov/N-2624-2015; Ozerov, Dmitry/E-9139-2016; De Pasquale, Salvatore/B-9165-2008; dusini, stefano/J-3686-2012; Kapishin, Mikhail/H-5834-2013; Capua, Marcella/A-8549-2015; Dementiev, Roman/K-7201-2012; Janssen, Xavier/E-1915-2013; Reimer, Petr/G-5903-2014; Cvach, Jaroslav/G-6269-2014; Zalesak, Jaroslav/G-5691-2014; Korzhavina, Irina/D-6848-2012; Wiggers, Leo/B-5218-2015; Tassi, Enrico/K-3958-2015; Suchkov, Sergey/M-6671-2015; Levonian, Sergey/M-8693-2015; Soloviev, Yury/M-8788-2015; Andreev, Vladimir/M-8665-2015; Doyle, Anthony/C-5889-2009; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Fazio, Salvatore /G-5156-2010; WAN ABDULLAH, WAN AHMAD TAJUDDIN/B-5439-2010; Stoicea, Gabriel/B-6717-2011; Aaron, Francis Dionisie/C-2320-2011; Alexa, Calin/F-6345-2010; Ferrando, James/A-9192-2012; Rotaru, Marina/A-3097-2011; Gladilin, Leonid/B-5226-2011; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012 OI De Pasquale, Salvatore/0000-0001-9236-0748; dusini, stefano/0000-0002-1128-0664; Kapishin, Mikhail/0000-0001-8473-4631; Capua, Marcella/0000-0002-2443-6525; Arneodo, Michele/0000-0002-7790-7132; Longhin, Andrea/0000-0001-9103-9936; Zalesak, Jaroslav/0000-0002-4519-4705; Wiggers, Leo/0000-0003-1060-0520; Soloviev, Yury/0000-0003-1136-2827; Doyle, Anthony/0000-0001-6322-6195; Stoicea, Gabriel/0000-0002-7511-4614; Aaron, Francis Dionisie/0000-0002-7342-829X; Ferrando, James/0000-0002-1007-7816; Rotaru, Marina/0000-0003-3303-5683; Gladilin, Leonid/0000-0001-9422-8636; FU German Federal Ministry for Education and Research (BMBF) [05H09GUF, 05H09VHC, 05H09VHF, 05H16PEA, 05 HZ6PDA, 05 HZ6GUA, 05 HZ6VFA, 05 HZ4KHA]; FNRS-FWO-Vlaanderen; IISN-IIKW; IWT; Belgian Science Policy; Polish State Committee for Scientific Research [DESY/256/2006-154/DES/2006/03]; Polish Ministry of Science and Higher Education [PBS/DESY/70/2006]; Deutsche Forschungsgemeinschaft; VEGA SR [2/7062/27]; Swedish Natural Science Research Council; Ministry of Education of the Czech Republic [LC527, INGO 1P05LA259, MSM0021620859]; Swiss National Science Foundation; CONACYT [48778-F]; Russian Foundation for Basic Research (RFBR) [1329.2008.2]; European Social Fund; (EPEAEK II)-PYTHAGORAS II; Natural Sciences and Engineering Research Council of Canada (NSERC); MINERVA Gesellschaft fur Forschung GmbH; Israel Science Foundation [293/02-11.2]; US-Israel Binational Science Foundation; Italian National Institute for Nuclear Physics (INFN); Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT); Korean Ministry of Education; Korea Science and Engineering Foundation; Netherlands Foundation for Research on Matter (FOM); German Federal Ministry for Education and Research (BMBF); RF Presidential grant [1456.2008.2]; Russian Ministry of Education and Science; Spanish Ministry of Education and Science; CICYT; UK Science and Technology Facilities Council; US Department of Energy; US National Science Foundation; Polish Ministry of Science and Higher Education; FNRS; IISN; FRIA; Belgian Federal Science Policy Office; Malaysian government FX Supported by the German Federal Ministry for Education and Research (BMBF), under contract numbers 05H09GUF, 05H09VHC, 05H09VHF and 05H16PEA; Supported by the German Federal Ministry for Education and Research (BMBF), under contract numbers 05 HZ6PDA, 05 HZ6GUA, 05 HZ6VFA and 05 HZ4KHA; Supported by FNRS-FWO-Vlaanderen, IISN-IIKW and IWT and by Interuniversity Attraction Poles Programme, Belgian Science Policy; Supported by the Polish State Committee for Scientific Research, project No. DESY/256/2006-154/DES/2006/03; Partially Supported by Polish Ministry of Science and Higher Education, grant PBS/DESY/70/2006; Supported by the Deutsche Forschungsgemeinschaft; Supported by VEGA SR grant no. 2/7062/27; Supported by the Swedish Natural Science Research Council; Supported by the Ministry of Education of the Czech Republic under the projects LC527, INGO 1P05LA259 and MSM0021620859; Supported by the Swiss National Science Foundation; Supported by CONACYT, Mexico, grant 48778-F; Russian Foundation for Basic Research (RFBR), grant no 1329.2008.2; This project is co-funded by the European Social Fund (75% and National Resources (25%) (EPEAEK II)-PYTHAGORAS II; Supported by the Natural Sciences and Engineering Research Council of Canada (NSERC); Supported in part by the MINERVA Gesellschaft fur Forschung GmbH, the Israel Science Foundation (grant No. 293/02-11.2) and the US-Israel Binational Science Foundation; Supported by the Israel Science Foundation; Supported by the Italian National Institute for Nuclear Physics (INFN); Supported by the Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT) and its grants for Scientific Research; Supported by the Korean Ministry of Education and Korea Science and Engineering Foundation; Supported by the Netherlands Foundation for Research on Matter (FOM); Partially supported by the German Federal Ministry for Education and Research (BMBF); Supported by RF Presidential grant N 1456.2008.2 for the leading scientific schools and by the Russian Ministry of Education and Science through its grant for Scientific Research on High Energy Physics; Supported by the Spanish Ministry of Education and Science through funds provided by CICYT; Supported by the UK Science and Technology Facilities Council; Supported by the US Department of Energy; Supported by the US National Science Foundation. Any opinion, findings and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation.; Supported by the Polish Ministry of Science and Higher Education as a scientific project (2009-2010); Supported by FNRS and its associated funds (IISN and FRIA) and by an Inter-University At traction Poles Programme subsidised by the Belgian Federal Science Policy Office; Supported by an FRGS grant from the Malaysian government NR 54 TC 250 Z9 250 U1 6 U2 67 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 JAN PY 2010 IS 1 AR 109 DI 10.1007/JHEP01(2010)109 PG 63 WC Physics, Particles & Fields SC Physics GA 552ZW UT WOS:000274334800003 ER PT J AU Cirigliano, V Li, YC Profumo, S Ramsey-Musolf, MJ AF Cirigliano, V. Li, Yingchuan Profumo, S. Ramsey-Musolf, M. J. TI MSSM baryogenesis and electric dipole moments: an update on the phenomenology SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Supersymmetry Phenomenology ID ELECTROWEAK BARYOGENESIS; STANDARD MODEL; BARYON ASYMMETRY; INFLATION; VIOLATION; UNIVERSE AB We explore the implications of electroweak baryogenesis for future searches for permanent electric dipole moments in the context of the minimal supersymmetric extension of the Standard Model (MSSM). From a cosmological standpoint, we point out that regions of parameter space that over-produce relic lightest supersymmetric particles can be salvaged only by assuming a dilution of the particle relic density that makes it compatible with the dark matter density: this dilution must occur after dark matter freeze-out, which ordinarily takes place after electroweak baryogenesis, implying the same degree of dilution for the generated baryon number density as well. We expand on previous studies on the viable MSSM regions for baryogenesis, exploring for the first time an orthogonal slice of the relevant parameter space, namely the (tan beta, m(A)) plane, and the case of non-universal relative gaugino-higgsino CP violating phases. The main result of our study is that in all cases lower limits on the size of the electric dipole moments exist, and are typically on the same order, or above, the expected sensitivity of the next generation of experimental searches, implying that MSSM electroweak baryogenesis will be soon conclusively tested. C1 [Cirigliano, V.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Li, Yingchuan; Ramsey-Musolf, M. J.] Univ Wisconsin, Dept Phys, Madison, WI 53705 USA. [Profumo, S.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Profumo, S.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Ramsey-Musolf, M. J.] CALTECH, Kellogg Radiat Lab, Pasadena, CA 91125 USA. RP Cirigliano, V (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM cirigliano@lanl.gov; yli@physics.wisc.edu; profumo@scipp.ucsc.edu; mjrm@physics.wisc.edu RI Li, Yingchuan/G-1327-2011; OI Cirigliano, Vincenzo/0000-0002-9056-754X FU U. S. Department of Energy [DE-AC52-06NA25396, DE-FG02-08ER41531, DEFG02-04ER41268]; Wisconsin Alumni Research Foundation; NSF [PHY-0757911] FX We thank Sean Tulin for discussions and for providing help with part of the numerical results. The work of VC is supported by the Nuclear Physics Office of the U. S. Department of Energy under Contract No. DE-AC52-06NA25396 and by the LDRD program at Los Alamos National Laboratory. MJRM and YL were supported in part by U. S. Department of Energy contract DE-FG02-08ER41531 and by the Wisconsin Alumni Research Foundation. MJRM also thanks the Aspen Center for Physics and TRIUMF Theory Group where part of this work was completed. S. P. is partly supported by an Outstanding Junior Investigator Award from the U. S. Department of Energy, Office of Science, High Energy Physics, DoE Contract DEFG02-04ER41268, and by NSF Grant PHY-0757911. NR 36 TC 41 Z9 41 U1 0 U2 2 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 JAN PY 2010 IS 1 AR 002 DI 10.1007/JHEP01(2010)002 PG 23 WC Physics, Particles & Fields SC Physics GA 541WE UT WOS:000273451000028 ER PT J AU Freytsis, M Ovanesyan, G Thaler, J AF Freytsis, Marat Ovanesyan, Grigory Thaler, Jesse TI Dark force detection in low energy e-p collisions SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Beyond Standard Model; Electromagnetic Processes and Properties ID ELECTRON-BEAM-DUMP; SEARCH; AXIONS; BOSON AB We study the prospects for detecting a light boson X with mass m(X) less than or similar to 100 MeV at a low energy electron-proton collider. We focus on the case where X dominantly decays to e(+)e(-) as motivated by recent "dark force" models. In order to evade direct and indirect constraints, X must have small couplings to the standard model (alpha(X) less than or similar to 10(-8)) and a sufficiently large mass (m(X) greater than or similar to 10 MeV). By comparing the signal and background cross sections for the e(-)pe(+)e(-) final state, we conclude that dark force detection requires an integrated luminosity of around 1 ab(-1), achievable with a forthcoming JLab proposal. C1 [Freytsis, Marat; Ovanesyan, Grigory; Thaler, Jesse] Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. [Freytsis, Marat; Ovanesyan, Grigory; Thaler, Jesse] Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Freytsis, M (reprint author), Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. EM freytsis@berkeley.edu; ovanesyan@berkeley.edu; jthaler@jthaler.net OI Freytsis, Marat/0000-0002-6427-2895; Thaler, Jesse/0000-0002-2406-8160 FU Miller Institute for Basic Research in Science FX We thank our experimental colleagues at MIT - Peter Fisher, Richard Milner, and Sinh Thong - for extensive discussions on the upcoming JLab FEL proposal, We also benefitted from experimental advice from Rolf Ent, Ronald Gilman, Yury Kolomensky, Christoph Tschaldr, and Bogdan Wojtsekhowski, and theoretical conversations with Rouven Essig, Maxim Pospelov, Philip Schuster, Matthew Strassler, Natalia Toro, Scott Thomas, and Lian-Tao Wang. G.O. thanks Henry Grishashvili for computing help. J.T. thanks the Aspen Center for Physics for their hospitality during the completion of this work, and the Miller Institute for Basic Research in Science for funding support. NR 55 TC 49 Z9 49 U1 0 U2 1 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 JAN PY 2010 IS 1 AR 111 DI 10.1007/JHEP01(2010)111 PG 38 WC Physics, Particles & Fields SC Physics GA 552ZW UT WOS:000274334800005 ER PT J AU Han, T Lewis, I McElmurry, T AF Han, Tao Lewis, Ian McElmurry, Thomas TI QCD corrections to scalar diquark production at hadron colliders SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE NLO Computations; Beyond Standard Model; Hadronic Colliders; QCD ID SMALL TRANSVERSE-MOMENTUM; TO-BACK JETS; CROSS-SECTION; DISTRIBUTIONS; RESUMMATION; BOSON AB We calculate the next-to-leading order QCD corrections to quark-quark annihilation to a scalar resonant state ("diquark") in a color representation of antitriplet or sextet at the Tevatron and LHC energies. At the LHC, we find the enhancement ( K-factor) for the antitriplet diquark is typically about 1.31-1.35, and for the sextet diquark is about 1.22 1.32 for initial-state valence quarks. The full transverse-momentum spectrum for the diquarks is also calculated at the LHC by performing the soft gluon resummation to the leading logarithm and all orders in the strong coupling. C1 [Han, Tao; Lewis, Ian; McElmurry, Thomas] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [McElmurry, Thomas] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Han, T (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM than@hep.wisc.edu; ilewis@wisc.edu; mcelmurry@hep.wisc.edu OI Han, Tao/0000-0002-5543-0716 FU US DOE [DE-FG02-95ER40896] FX We would like to thank Z.G. Si for discussions. This work was supported in part by the US DOE under contract No. DE-FG02-95ER40896. NR 24 TC 21 Z9 21 U1 0 U2 0 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 JAN PY 2010 IS 1 AR 123 DI 10.1007/JHEP01(2010)123 PG 23 WC Physics, Particles & Fields SC Physics GA 552ZW UT WOS:000274334800017 ER PT J AU Kharzeev, DE Levin, EM AF Kharzeev, D. E. Levin, E. M. TI D-instantons and multiparticle production in N=4 SYM SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Review DE Phenomenology of Field Theories in Higher Dimensions; Strings and branes phenomenology ID COLOR GLASS CONDENSATE; NONLINEAR GLUON EVOLUTION; DEEP-INELASTIC SCATTERING; INDUCED CROSS-SECTIONS; YANG-MILLS; POMERANCHUK SINGULARITY; RENORMALIZATION-GROUP; QUANTUM CORRECTIONS; PERTURBATION-THEORY; WILSON OPERATORS AB N=4 Super-symmetric Yang-Mills theory (N=4 SYM) in the strong coupling regime has been successfully applied (through the AdS/CFT correspondence) to the description of strongly coupled plasma which is a multiparticle state. Yet, the high-energy scattering in the strong coupling limit of N=4 SYM is purely elastic, so this multiparticle final state can never be produced: this is because in this limit the theory is dual to weak supergravity, and the dominant interaction is the elastic graviton exchange. Here we propose a resolution of this dilemma by considering the contribution of D-instantons in AdS(5) bulk space to the scattering amplitude. We argue that D-instantons coupled to dilatons and axions are responsible for multiparticle production in strongly coupled N=4 SYM, and the corresponding cross section increases with energy. We evaluate the intercept and the slope of the corresponding Pomeron trajectory in terms of the typical size of the D-instanton, and argue that the resulting physical picture may resemble the real world. C1 [Kharzeev, D. E.; Levin, E. M.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Levin, E. M.] Tel Aviv Univ, Dept Particle Phys, Sch Phys & Astron, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. RP Kharzeev, DE (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM kharzeev@bnl.gov; leving@post.tau.ac.il FU U.S. Department of Energy [DE-AC02-98CH10886]; BSF [20004019] FX The work of D. K. was supported by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. This research of E. L. was supported in part by BSF grant # 20004019. NR 103 TC 4 Z9 4 U1 0 U2 0 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 JAN PY 2010 IS 1 AR 046 DI 10.1007/JHEP01(2010)046 PG 27 WC Physics, Particles & Fields SC Physics GA 545FK UT WOS:000273717700017 ER PT J AU Lappi, T Srednyak, S Venugopalan, R AF Lappi, T. Srednyak, S. Venugopalan, R. TI Non-perturbative computation of double inclusive gluon production in the Glasma SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE QCD Phenomenology ID HEAVY-ION COLLISIONS; HIGH-ENERGY SCATTERING; NUCLEUS-NUCLEUS COLLISIONS; STRONG EXTERNAL SOURCES; QUARK PAIR PRODUCTION; SMALL-X; RENORMALIZATION-GROUP; TRANSVERSE-MOMENTUM; COLORED GLASS; FLUX TUBES AB The near-side ridge observed in A+A collisions at RHIC has been described as arising from the radial flow of Glasma flux tubes formed at very early times in the collisions. We investigate the viability of this scenario by performing a non-perturbative numerical computation of double inclusive gluon production in the Glasma. Our results support the conjecture that the range of transverse color screening of correlations determining the size of the flux tubes is a semi-hard scale, albeit with non-trivial structure. We discuss our results in the context of ridge correlations in the RHIC heavy ion experiments. C1 [Lappi, T.] Univ Jyvaskyla, Dept Phys, Jyvaskyla 40014, Finland. [Lappi, T.] Univ Helsinki, Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [Srednyak, S.] SUNY Stony Brook, Dept Phys, Stony Brook, NY 11790 USA. [Srednyak, S.; Venugopalan, R.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Lappi, T (reprint author), Univ Jyvaskyla, Dept Phys, POB 35, Jyvaskyla 40014, Finland. EM tuomas.lappi@jyu.fi; stas_srednyak@yahoo.com; rajuv@mac.com NR 88 TC 19 Z9 19 U1 0 U2 0 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 JAN PY 2010 IS 1 AR 066 DI 10.1007/JHEP01(2010)066 PG 28 WC Physics, Particles & Fields SC Physics GA 545FK UT WOS:000273717700037 ER PT J AU Poppitz, E Unsal, M AF Poppitz, Erich Uensal, Mithat TI Comments on large-N volume independence SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE 1/N Expansion; Gauge Symmetry; Lattice Quantum Field Theory; QCD AB We study aspects of the large-N volume independence on R-3 x L-Gamma, where L-Gamma is a Gamma-site lattice for Yang-Mills theory with adjoint Wilson-fermions. We find the critical number of lattice sites above which the center-symmetry analysis on L-Gamma agrees with the one on the continuum S-1. For Wilson parameter set to one and Gamma >= 2, the two analyses agree. One-loop radiative corrections to Wilson-line masses are finite, reminiscent of the UV-insensitivity of the Higgs mass in deconstruction/Little-Higgs theories. Even for theories with Gamma = 1, volume independence in QCD(adj) may be guaranteed to work by tuning one low-energy effective field theory parameter. Within the parameter space of the theory, at most three operators of the 3d effective field theory exhibit one-loop UV-sensitivity. This opens the analytical prospect to study 4d non-perturbative physics by using lower dimensional field theories (d = 3, in our example). C1 [Poppitz, Erich] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Uensal, Mithat] Stanford Univ, SLAC, Stanford, CA 94025 USA. [Uensal, Mithat] Stanford Univ, Dept Phys, Stanford, CA 94025 USA. RP Poppitz, E (reprint author), Univ Toronto, Dept Phys, 60 St George St, Toronto, ON M5S 1A7, Canada. EM poppitz@physics.utoronto.ca; unsal@slac.stanford.edu FU U.S. Department of Energy [DE-AC02-76SF00515]; National Science and Engineering Council of Canada (NSERC) FX We thank Barak Bringoltz and Larry Yaffe for useful discussions. This work was supported by the U.S. Department of Energy Grant DE-AC02-76SF00515 and by the National Science and Engineering Council of Canada (NSERC). NR 26 TC 10 Z9 10 U1 0 U2 0 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 JAN PY 2010 IS 1 AR 098 DI 10.1007/JHEP01(2010)098 PG 14 WC Physics, Particles & Fields SC Physics GA 548KA UT WOS:000273959700025 ER PT J AU James, SC Jones, CA Grace, MD Roberts, JD AF James, Scott C. Jones, Craig A. Grace, Matthew D. Roberts, Jesse D. TI Advances in sediment transport modelling SO JOURNAL OF HYDRAULIC RESEARCH LA English DT Article DE Bedload; sediment deposition; sediment dynamics; sediment erosion; sediment transport; suspended load ID LOAD TRANSPORT; EROSION RATES; BULK-DENSITY; BED; PARTICLE AB A detailed description of how recently-developed sediment dynamics formulations are incorporated into the United States Environmental Protection Agency's Environmental Fluid Dynamics Code is presented. The new approach is an extension of previous models and accounts for multiple sediment size classes, has a unified treatment of suspended load and bedload, and appropriately replicates bed armouring. The resulting flow, transport, and sediment dynamics model is an improvement to previous models because it may directly incorporate site-specific data, while maintaining a physically consistent, unified treatment of bedload and suspended load. Experimental data from a noncohesive sediment erosion experiment in a straight channel help validate the numerical model. In this simulation, unknown parameters representing the active layer thickness and the erosion rates of the two largest sediment size classes when they are newly deposited are identified from the available data. C1 [James, Scott C.; Grace, Matthew D.] Sandia Natl Labs, Scalable Comp R&D, Livermore, CA 94551 USA. [Jones, Craig A.] Sea Engn Inc, Santa Cruz, CA 95060 USA. [Roberts, Jesse D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP James, SC (reprint author), Sandia Natl Labs, Scalable Comp R&D, POB 969, Livermore, CA 94551 USA. EM scjames@sandia.gov; cjones@seaengineering.com; mgrace@sandia.gov; jdrober@sandia.gov OI James, Scott/0000-0001-7955-0491 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multi-program 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 40 TC 9 Z9 9 U1 1 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0022-1686 J9 J HYDRAUL RES JI J. Hydraul. Res. PY 2010 VL 48 IS 6 BP 754 EP 763 AR PII 931122118 DI 10.1080/00221686.2010.515653 PG 10 WC Engineering, Civil; Water Resources SC Engineering; Water Resources GA 695CS UT WOS:000285348800005 ER PT J AU Rodriguez, MA Shinavier, J AF Rodriguez, Marko A. Shinavier, Joshua TI Exposing multi-relational networks to single-relational network analysis algorithms SO JOURNAL OF INFORMETRICS LA English DT Article DE Multi-relational networks; Path algebra; Network analysis ID CONSTRAINED SPREADING ACTIVATION; INFORMATION-RETRIEVAL; BIOLOGICAL NETWORKS; SEMANTIC NETWORKS; WEB; CENTRALITY AB Many, if not most network analysis algorithms have been designed specifically for single-relational networks; that is, networks in which all edges are of the same type. For example, edges may either represent "friendship," "kinship," or " collaboration," but not all of them together. In contrast, a multi-relational network is a network with a heterogeneous set of edge labels which can represent relationships of various types in a single data structure. While multi-relational networks are more expressive in terms of the variety of relationships they can capture, there is a need for a general framework for transferring the many single-relational network analysis algorithms to the multi-relational domain. It is not sufficient to execute a single-relational network analysis algorithm on a multi-relational network by simply ignoring edge labels. This article presents an algebra for mapping multi-relational networks to single-relational networks, thereby exposing them to single-relational network analysis algorithms. Published by Elsevier Ltd. C1 [Rodriguez, Marko A.] Los Alamos Natl Lab, Ctr Nonlinear Studies T 5, Los Alamos, NM 87545 USA. [Shinavier, Joshua] Rensselaer Polytech Inst, Troy, NY 12180 USA. RP Rodriguez, MA (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies T 5, POB 1663, Los Alamos, NM 87545 USA. EM marko@lanl.gov NR 47 TC 13 Z9 15 U1 5 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1751-1577 EI 1875-5879 J9 J INFORMETR JI J. Informetr. PD JAN PY 2010 VL 4 IS 1 BP 29 EP 41 DI 10.1016/j.joi.2009.06.004 PG 13 WC Computer Science, Interdisciplinary Applications; Information Science & Library Science SC Computer Science; Information Science & Library Science GA 530ZI UT WOS:000272631100004 ER PT J AU Zajickova, Z Luna, J Svec, F AF Zajickova, Zuzana Luna, Joao Svec, Frantisek TI SURFACE MODIFICATION OF SILICA-BASED MONOLITH WITH POLY(PENTAFLUOROPROPYL METHACRYLATE) USING SINGLE STEP PHOTOGRAFTING SO JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES LA English DT Article DE alkylbenzenes; capillary column; monolith; pentafluoropropyl methacrylate; photografting; silica ID POROUS POLYMER MONOLITHS; MICROFLUIDIC DEVICES; CAPILLARY COLUMNS; OCTADECYL METHACRYLATE; CATION-EXCHANGE; HIGH-EFFICIENCY; SEPARATIONS; PHASE; HPLC; CHROMATOGRAPHY AB Photografting has been utilized to achieve on-column functionalization of porous silica monoliths in capillaries. The pore surface was first modified with 3-((trimethoxysilyl)propyl) methacrylate (-MAPS) and then photografted in a single step with poly(pentafluoropropyl methacrylate) (PFM). The chromatographic performance of these grafted capillary columns was evaluated using reversed-phase separation of alkylbenzenes. C1 [Zajickova, Zuzana; Luna, Joao] Barry Univ, Dept Phys Sci, Miami Shores, FL USA. [Svec, Frantisek] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Zajickova, Z (reprint author), Barry Univ, Dept Phys Sci, Miami Shores, FL USA. EM zzajickova@mail.barry.edu FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Department of Energy (DOE)/National Science Foundation (NSF); NIH-NIGMS [T34 GM008021] FX Experimental work carried out at the Molecular Foundry, Lawrence Berkeley National Laboratory was supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Joao Luna and Zuzana Zajickova were supported by the Department of Energy (DOE)/National Science Foundation (NSF) Faculty and Student Team (FaST) Program. Joao Luna was supported by NIH-NIGMS MARC U*STAR grant T34 GM008021. Jana Krenkova from the Molecular Foundry is kindly acknowledged for her valuable suggestions helping implementation of this project. NR 25 TC 9 Z9 9 U1 2 U2 14 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1082-6076 J9 J LIQ CHROMATOGR R T JI J. Liq. Chromatogr. Relat. Technol. PY 2010 VL 33 IS 18 BP 1640 EP 1648 AR PII 929663471 DI 10.1080/10826076.2010.519244 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 682PM UT WOS:000284415500003 ER PT J AU Benedek, R Thackeray, MM van de Walle, A AF Benedek, R. Thackeray, M. M. van de Walle, A. TI Pourbaix-like phase diagram for lithium manganese spinels in acid SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; CATHODE MATERIALS; PROTON INSERTION; BATTERIES; OXIDES; DISSOLUTION; LAMBDA-MNO2; SOLVATION; STABILITY AB Calculations are performed on the free energies for proton-promoted reactions of the lithium-ion-battery electrode material LiMn(2)O(4) spinel in acid, as a function of lithium excess and lithium deficiency relative to stoichiometry. In particular, we consider the dissolution reaction proposed by Hunter (J. Solid State Chem., 1981, 39, 142), in which protons react with lithium manganate spinel to form lambda-MnO(2), Li(+), and Mn(2+) products. The calculations employ a hybrid method developed in previous work in which first principles total energy calculations are applied for the solid phases and free atom energies, and tabulated ionization and hydration energies for the aqueous species. A correction to the atomic energies, derived from analysis of binary oxide dissolution reactions, improves the accuracy of the results. A Pourbaix-like dissolution/stability phase diagram is constructed from the resultant reaction free energies. C1 [Benedek, R.; Thackeray, M. M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [van de Walle, A.] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. RP Benedek, R (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RI van de Walle, Axel/L-5676-2013 OI van de Walle, Axel/0000-0002-3415-1494 FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; Office of FreedomCar and Vehicle Technologies (Batteries for Advanced Transportation Technologies (BATT) Program); National Science Foundation [DMR060011N] 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. This work was supported at Argonne by the Office of FreedomCar and Vehicle Technologies (Batteries for Advanced Transportation Technologies (BATT) Program), U. S. Department of Energy. Axel van de Walle was supported by the National Science Foundation through TeraGrid computing resources provided by NCSA and SDSC under grant DMR060011N. Grants of computer time at the National Energy Research Supercomputer Center, Lawrence Berkeley Laboratory are gratefully acknowledged. NR 40 TC 12 Z9 12 U1 6 U2 40 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 2 BP 369 EP 374 DI 10.1039/b913226k PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 533RS UT WOS:000272842900023 ER PT J AU Patel, MN Wang, XQ Wilson, B Ferrer, DA Dai, S Stevenson, KJ Johnston, KP AF Patel, Mehul N. Wang, Xiqing Wilson, Brian Ferrer, Domingo A. Dai, Sheng Stevenson, Keith J. Johnston, Keith P. TI Hybrid MnO2-disordered mesoporous carbon nanocomposites: synthesis and characterization as electrochemical pseudocapacitor electrodes SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID MANGANESE OXIDE COMPOSITE; CHARGE STORAGE MECHANISM; HYDROUS RUTHENIUM OXIDE; MAGNETIC-PROPERTIES; ENERGY-STORAGE; NANOSCALE MNO2; CAPACITORS; SUPERCAPACITORS; PERFORMANCE; DEPOSITION AB MnO2-mesoporous carbon hybrid nanocomposites were synthesized to achieve high values of redox pseudocapacitance at scan rates of 100 mV s(-1). High-resolution transmission electron microscopy (HRTEM) along with energy dispersive X-ray spectroscopy (EDX) demonstrated that similar to 1 nm thick MnO2 nanodomains, resembling a conformal coating, were uniformly distributed throughout the mesoporous carbon structure. HRTEM and X-ray diffraction (XRD) showed formation of MnO2 nanocrystals with lattice planes corresponding to birnessite. The electrochemical redox pseudocapacitance of these composite materials in aqueous 1 M Na2SO4 electrolyte containing as little as 2 wt% MnO2 exhibited a high gravimetric MnO2 pseudocapacitance (C-MnO2) of 560 F g(MnO2)(-1). Even for 30 wt% MnO2, a high C-MnO2 of 137 F g(MnO2)(-1) was observed at 100 mV s(- 1). Sodium ion diffusion coefficients on the order of 10(-9) to 10(-10) cm(2) s(-1) were measured using chronoamperometry. The controlled growth and conformal coating of redox-active MnO2-mesoporous carbon composites offer the potential for achieving high power energy storage with low cost materials. C1 [Stevenson, Keith J.] Univ Texas Austin, Dept Chem & Biochem, Ctr Nano & Mol Sci & Technol, Austin, TX 78712 USA. [Patel, Mehul N.; Wilson, Brian; Johnston, Keith P.] Univ Texas Austin, Dept Chem Engn, Austin, TX 78712 USA. [Ferrer, Domingo A.] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Wang, Xiqing; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Stevenson, KJ (reprint author), Univ Texas Austin, Dept Chem & Biochem, Ctr Nano & Mol Sci & Technol, Austin, TX 78712 USA. EM stevenson@cm.utexas.edu; kpj@che.utexas.edu RI Wang, Xiqing/E-3062-2010; Dai, Sheng/K-8411-2015 OI Wang, Xiqing/0000-0002-1843-008X; Dai, Sheng/0000-0002-8046-3931 FU National Science Foundation [CHE-9876674]; Department of Energy Office of Basic Energy Sciences; Welch Foundation [F-1529, F-1319]; Center for Nano and Molecular Science and Technology; Process Science and Technology Center at the University of Texas; Fluid Interface Reactions, Structures and Transport (FIRST) Center; U. S. Department of Energy, Office of Science; Office of Basic Energy Sciences [ERKCC61] FX This material is based upon work supported in part by the STC Program of the National Science Foundation under Agreement No. CHE-9876674, the Department of Energy Office of Basic Energy Sciences, the Robert A. Welch Foundation (Grant F-1529 and F-1319), the Center for Nano and Molecular Science and Technology, and the Process Science and Technology Center at the University of Texas. S. D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number ERKCC61. NR 63 TC 57 Z9 58 U1 2 U2 78 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 2 BP 390 EP 398 DI 10.1039/b915370e PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 533RS UT WOS:000272842900026 ER PT J AU Johnson, SH Johnson, CL May, SJ Hirsch, S Cole, MW Spanier, JE AF Johnson, Stephanie H. Johnson, Craig L. May, Steven J. Hirsch, Samuel Cole, M. W. Spanier, Jonathan E. TI Co@CoO@Au core-multi-shell nanocrystals SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID MAGNETIC-PROPERTIES; GOLD NANOPARTICLES; EXCHANGE BIAS; FE OXIDE; COBALT; PHASE; COALESCENCE; GROWTH; SHAPE; RAMAN AB We report on the chemical synthesis, structural and compositional characterization, and hierarchical organization of Co-core, concentric CoO-Au multi-shell nanocrystals (Co@CoO@Au). Based on electron microscopy, magnetometry and spectroscopy experiments, we present compelling evidence for the formation of the Au outer shell on CoO, challenging the common assumption that the reduction reaction to form Au shells can only occur if the cobalt surface has not oxidized. Our findings suggest that the presence of a metal shell surrounding a transition-metal core nanocrystal following such a reduction reaction cannot be taken as evidence that the transition metal oxide is absent from the surface of the nanocrystal core. We find that Au shell growth can produce Co@CoO@Au nanocrystals possessing five-fold twinning symmetry and we suggest that their growth is facilitated through self nucleation and coalescence of Au particles. C1 [Johnson, Stephanie H.; Johnson, Craig L.; May, Steven J.; Spanier, Jonathan E.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Hirsch, Samuel; Cole, M. W.] USA, Res Lab, Aberdeen Proving Ground, MD USA. [May, Steven J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Johnson, SH (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. RI May, Steven/D-8563-2011; OI May, Steven/0000-0002-8097-1549; Spanier, Jonathan/0000-0002-3096-2644 FU GAANN Fellowship in Material Science at Drexel University; U.S. Army Research Office [W911-NF-08-1-0067] FX The authors thank Peter Finkel for assistance with additional magnetic measurements and Zhorro Nikolov and Dominic Bruzzese for collecting Raman scattering spectra. We would also like to thank Fredrick Beyer for helping coordinate access to the JEOL 2100F at ARL-APG. S.H.J. is supported by a GAANN Fellowship in Material Science at Drexel University. J.E.S. gratefully acknowledges the U.S. Army Research Office for support under W911-NF-08-1-0067. NR 28 TC 12 Z9 12 U1 2 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 3 BP 439 EP 443 DI 10.1039/b919610b PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 536IL UT WOS:000273038000004 ER PT J AU Shao, YY Wang, J Engelhard, M Wang, CM Lin, YH AF Shao, Yuyan Wang, Jun Engelhard, Mark Wang, Chongmin Lin, Yuehe TI Facile and controllable electrochemical reduction of graphene oxide and its applications SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID EXFOLIATED GRAPHITE OXIDE; PEM FUEL-CELLS; CARBON NANOTUBES; FUNCTIONALIZED GRAPHENE; ELECTROCATALYTIC ACTIVITY; LARGE-AREA; EPITAXIAL GRAPHENE; OXYGEN REDUCTION; GLUCOSE-OXIDASE; ION BATTERIES AB Graphene oxide is electrochemically reduced which is called electrochemically reduced graphene oxide (ER-G). ER-G is characterized with scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and X-ray diffraction. The oxygen content is significantly decreased and the sp(2) carbon is restored after electrochemical reduction. ER-G exhibits much higher electrochemical capacitance and cycling durability than carbon nanotubes (CNTs) and chemically reduced graphene; the specific capacitance measured with cyclic voltammetry (20 mV s(-1)) is similar to 165, similar to 86, and similar to 100 F g(-1) for ER-G, CNTs, and chemically reduced graphene, respectively. The electrochemical reduction of oxygen and hydrogen peroxide are greatly enhanced on ER-G electrodes as compared with CNTs. ER-G has shown promising features for applications in energy storage, biosensors, and electrocatalysis. C1 [Shao, Yuyan; Wang, Jun; Engelhard, Mark; Wang, Chongmin; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Engelhard, Mark/F-1317-2010; Shao, Yuyan/A-9911-2008; Lin, Yuehe/D-9762-2011; OI Shao, Yuyan/0000-0001-5735-2670; Lin, Yuehe/0000-0003-3791-7587; Engelhard, Mark/0000-0002-5543-0812 FU LDRD program at PNNL; U. S. Department of Energy's (DOE's) Office of Biological and Environmental Research; DOE [DE-AC05-76L01830] FX This work was supported by a LDRD program at PNNL. Part of the research described in this paper was performed at the Environmental Molecular Sciences Laboratory, a national scientific-user facility sponsored by the U. S. Department of Energy's (DOE's) Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for DOE by Battelle under Contract DE-AC05-76L01830. NR 68 TC 372 Z9 381 U1 50 U2 328 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 4 BP 743 EP 748 DI 10.1039/b917975e PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 543KR UT WOS:000273576600016 ER PT J AU Kanai, Y Wu, ZG Grossman, JC AF Kanai, Yosuke Wu, Zhigang Grossman, Jeffrey C. TI Charge separation in nanoscale photovoltaic materials: recent insights from first-principles electronic structure theory SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID DENSITY-FUNCTIONAL THEORY; DYE-SENSITIZED TIO2; HETEROJUNCTION SOLAR-CELLS; AB-INITIO; MOLECULAR-DYNAMICS; SILICON NANOWIRES; CONJUGATED POLYMERS; CARRIER GENERATION; ENERGY-CONVERSION; CARBON NANOTUBES AB In this feature article we focus on the key problem of charge separation in nano-scale photovoltaic materials; in particular recent theoretical/computational work based on first principles electronic structure approaches is presented and discussed. We review applications of state-of-the-art electronic structure calculations to nano-scale materials that enable charge separation between an excited electron and hole in so-called excitonic photovoltaic cells. Emphasis is placed on theoretical results that provide insight into experimentally observed processes, which are yet to be understood and do not appear to obey a single unique model but rather depend on atomistic details. Examples are provided that illustrate how computational approaches can be employed to probe new directions in materials design for inducing efficient charge separation. We also discuss the computational challenges in electronic structure theory for reliably predicting and designing new materials suitable for charge separation in photovoltaic applications. C1 [Grossman, Jeffrey C.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Kanai, Yosuke] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. [Wu, Zhigang] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. RP Grossman, JC (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM jcg@mit.edu RI Wu, Zhigang/K-2554-2014; Kanai, Yosuke/B-5554-2016 OI Wu, Zhigang/0000-0001-8959-2345; NR 74 TC 29 Z9 29 U1 0 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 6 BP 1053 EP 1061 DI 10.1039/b913277p PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 548KS UT WOS:000273961900002 ER PT J AU Caldwell, MA Raoux, S Wang, RY Wong, HSP Milliron, DJ AF Caldwell, Marissa A. Raoux, Simone Wang, Robert Y. Wong, H. -S. Philip Milliron, Delia J. TI Synthesis and size-dependent crystallization of colloidal germanium telluride nanoparticles SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID PHASE-CHANGE MATERIALS; DATA-STORAGE; NANOCRYSTAL SUPERLATTICES; CDSE NANOCRYSTALS; SURFACE-ENERGY; GETE FILMS; NANOWIRES; TRANSITION; STABILITY; MEMORY AB Colloidal nanocrystals have long been used to study the dependence of phase stability and transitions on size. Both structural phase stability and phase transitions change dramatically in the nanometre size regime where the surface plays a significant role in determining the overall energetics of the system. We investigate the solid-solid phase transformation of crystallization in amorphous GeTe nanoparticles. We report a colloidal synthetic route to amorphous GeTe nanoparticles. Using in situ X-ray diffraction while heating, we observe the crystallization of the nanoparticles and find a dramatic increase of the crystallization temperature of over 150 degrees C above the bulk value. Using size-selected nanoparticle films, we show that the crystallization temperature depends strongly on the particle size. In addition, we measure the electrical resistance of nanoparticle films and observe over 5 orders of magnitude lower resistance for the crystalline film compared to the amorphous film. Finally, we discuss the implications of the size-dependence of crystallization in the context of both understanding the behavior of phase stability in the nanosize regime and applications to phase change memory devices. C1 [Wong, H. -S. Philip] Stanford Univ, Stanford, CA 94305 USA. [Caldwell, Marissa A.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Raoux, Simone] IBM TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Wang, Robert Y.; Milliron, Delia J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Wong, HSP (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM hspw@stanford.edu; dmilliron@lbl.gov RI Wong, H.-S. Philip/B-4894-2010; Milliron, Delia/D-6002-2012; Wang, Robert/A-5801-2013; Raoux, Simone/G-3920-2016 OI Wong, H.-S. Philip/0000-0002-0096-1472; FU US Department of Energy, Division of Materials Sciences and Division of Chemical Sciences [DE-AC02-98CH10886]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; Stanford Non-Volatile Memory Technology Research Initiative (NMTRI); IBM Graduated Student Fellowship FX Research was carried out in part at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the US Department of Energy, Division of Materials Sciences and Division of Chemical Sciences, under contract no. DE-AC02-98CH10886. Work at the Molecular Foundry was support by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract no. DE-AC02-05CH11231. This work is supported in part by the Stanford Non-Volatile Memory Technology Research Initiative (NMTRI) and its member companies. M. A. C. is partially supported by the IBM Graduated Student Fellowship. NR 54 TC 47 Z9 47 U1 2 U2 46 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 7 BP 1285 EP 1291 DI 10.1039/b917024c PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 551KQ UT WOS:000274207500008 ER PT J AU Malavasi, L Baldini, M di Castro, D Nucara, A Crichton, W Mezouar, M Blasco, J Postorino, P AF Malavasi, Lorenzo Baldini, Maria di Castro, Daniele Nucara, Alessandro Crichton, Wilson Mezouar, Mohamed Blasco, Javier Postorino, Paolo TI High pressure behavior of Ga-doped LaMnO3: a combined X-ray diffraction and optical spectroscopy study SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID LATTICE-DISTORTIONS; PEROVSKITES; MANGANITES; SCATTERING; INTERPLAY; PHONONS; VOLUME AB The pressure effects on the Jahn-Teller (JT) distortion of three representative compounds belonging to the LaMn1-xGaxO3 (x = 0.2, 0.3, 0.4) family were widely investigated by means of X-ray diffraction and Raman spectroscopy. A compound with a fully coherent JT distorted structure (x = 0.2), one with regular octahedra (x = 0.6) and one in an intermediate configuration (x = 0.3) were selected. A pressure induced transition from the orthorhombic Pbnm phase towards structures with higher symmetry was observed in all the samples. Both Raman and X-ray data confirm that the most important structural effect of pressure is that of reducing the octahedral distortion. The appearance of a feature in the lattice parameter behavior connected to a structural instability was also detected, pointing out the key role of the JT distortion in stabilizing the manganite structures. On the other hand, the complete suppression of the JT distortion in the high-pressure phases cannot be claimed. The Raman spectra collected on the more distorted compounds (x = 0.2, 0.3) reveal clearly the coexistence of domains of distorted and more regular octahedra in a certain pressure range. The first sketch of the pressure vs. Ga-content phase diagram was drawn. C1 [Malavasi, Lorenzo] Univ Pavia, Dipartimento Chim Fis M Rolla, INSTM, I-27100 Pavia, Italy. [Malavasi, Lorenzo] Univ Pavia, CNR, IENI, I-27100 Pavia, Italy. [Baldini, Maria; di Castro, Daniele; Nucara, Alessandro; Postorino, Paolo] Univ Sapienza, INFM, I-00187 Rome, Italy. [Baldini, Maria; di Castro, Daniele; Nucara, Alessandro; Postorino, Paolo] Univ Sapienza, Dipartimento Fis, I-00187 Rome, Italy. [Baldini, Maria] Stanford Univ, Photon Sci Dept, SLAC, Stanford, CA 94305 USA. [di Castro, Daniele] Univ Roma Tor Vergata, Dipartimento Ingn Meccan, I-00133 Rome, Italy. [di Castro, Daniele; Nucara, Alessandro] Univ Roma Tor Vergata, CNR, INFM Coherentia, I-00133 Rome, Italy. [Crichton, Wilson; Mezouar, Mohamed] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Blasco, Javier] Univ Zaragoza, Inst Ciencia Mat Aragon, Dept Fis Mat Condensada, CSIC, E-50009 Zaragoza, Spain. RP Malavasi, L (reprint author), Univ Pavia, Dipartimento Chim Fis M Rolla, INSTM, Viale Taramelli 16, I-27100 Pavia, Italy. EM Lorenzo.malavasi@unipv.it RI Blasco, Javier/C-1493-2015; Malavasi, Lorenzo/P-1966-2016; OI Blasco, Javier/0000-0002-9706-3272; DI CASTRO, DANIELE/0000-0002-0878-6904; Crichton, Wilson/0000-0001-6823-5509; NUCARA, ALESSANDRO/0000-0002-7088-4820; Malavasi, Lorenzo/0000-0003-4724-2376 NR 32 TC 10 Z9 10 U1 1 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 7 BP 1304 EP 1311 DI 10.1039/b914975a PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 551KQ UT WOS:000274207500010 ER PT J AU Franchini, IR Bertoni, G Falqui, A Giannini, C Wang, LW Manna, L AF Franchini, Isabella R. Bertoni, Giovanni Falqui, Andrea Giannini, Cinzia Wang, Lin Wang Manna, Liberato TI Colloidal PbTe-Au nanocrystal heterostructures SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID CATION-EXCHANGE; LEAD-TELLURIDE; SEMICONDUCTOR NANOCRYSTALS; HYBRID NANOCRYSTALS; METAL NANOCRYSTALS; SHAPE EVOLUTION; OXIDE; NANOSTRUCTURES; NANOPARTICLES; NANORODS AB Colloidal PbTe nanocrystals are reacted with AuCl3 in the presence of dodecylamine and tetraoctylammonium bromide in a toluene solution. At room temperature, only homogenous nucleation of isolated Au nanocrystals in solution is observed. At higher temperatures (i.e. 60 degrees C or higher) the gold ions/atoms are able to diffuse through the PbTe nanocrystals and to form one or more metallic gold regions inside them, while most of the remaining volume of each nanocrystal becomes amorphous. Longer reaction times lead to the growth of a single balloon-shaped Au domain attached via its apex to the surface of each nanocrystal. The structural and compositional quantification of the starting PbTe nanocrystals and of the various reaction products is often complicated by several reactive processes occurring during in situ analysis by electron microscopy. Evidences of the formation of a metastable Au3Te compound are presented. C1 [Franchini, Isabella R.; Bertoni, Giovanni; Falqui, Andrea; Manna, Liberato] Fdn Ist Italiano Tecnol, I-16163 Genoa, Italy. [Franchini, Isabella R.] INFM, CNR, Natl Nanotechnol Lab, I-73100 Lecce, Italy. [Giannini, Cinzia] CNR IC, I-70126 Bari, Italy. [Wang, Lin Wang] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Manna, L (reprint author), Fdn Ist Italiano Tecnol, Via Morego 30, I-16163 Genoa, Italy. EM liberato.manna@iit.it RI Giannini, Cinzia/B-2409-2012; Manna, Liberato/G-2339-2010; Bertoni, Giovanni/J-4710-2012 OI Falqui, Andrea/0000-0002-1476-7742; Manna, Liberato/0000-0003-4386-7985; Bertoni, Giovanni/0000-0001-6424-9102 FU Italian Ministry of Research [RBLA03ER38] FX This work was supported in part by the Italian Ministry of Research under the FIRB Grant NG-lab (contract number RBLA03ER38). NR 69 TC 29 Z9 29 U1 4 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 7 BP 1357 EP 1366 DI 10.1039/b915687a PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 551KQ UT WOS:000274207500017 ER PT J AU Du, D Wang, MH Qin, YH Lin, YH AF Du, Dan Wang, Minghui Qin, Yuehua Lin, Yuehe TI One-step electrochemical deposition of Prussian Blue-multiwalled carbon nanotube nanocomposite thin-film: preparation, characterization and evaluation for H2O2 sensing SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID AMPEROMETRIC GLUCOSE BIOSENSOR; SINGLE-WALLED NANOTUBES; MODIFIED ELECTRODES; COMPOSITE FILM; FERRICYANIDE SOLUTION; NANOELECTRODE ARRAYS; HYDROGEN-PEROXIDE; OXIDASE; ACETYLCHOLINESTERASE; FABRICATION AB Prussian Blue-multiwalled carbon nanotube-modified gold (PB-MWCNT/Au) electrodes were successfully fabricated using the electrochemical co-deposition method in which the MWCNTs not only act as a carrier of PB, but also as a modifier for a catalytic function. Fourier transform infrared spectra proved that PB assembled on the surface of MWCNTs through electrochemical co-deposition. Scanning electron microscopy images showed that a relatively porous PB-MWCNT film was formed. Cyclic voltammetry and electrochemical impedance spectroscopy revealed that a PB-coated MWCNTs composite film improved electron and ion transfer relative to pure PB films and also exhibited larger electrode-specific capacitance than PB alone. Compared with a PB film, the PB-MWCNT composite film showed a larger response current to the reduction of H2O2 because of the synergistic effects between the MWCNTs and PB particles. This fast, sensitive, and efficient sensor for H2O2 was observed with a detection sensitivity of 856 mu A mM(-1) cm(-2), and the linear range spanned the concentration of H2O2 from 1 mM to 5 mM. The detection limit was 23 nM at a signal-to-noise ratio of 3. The method presented here demonstrates the great potential for CNTs and other inorganic or metal nanoparticles for constructing bioelectronic devices and biosensors. C1 [Du, Dan; Wang, Minghui; Qin, Yuehua] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China. [Du, Dan; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Du, D (reprint author), Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China. EM dudan@mail.ccnu.edu.cn; yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011; Du, Dan (Annie)/G-3821-2012 OI Lin, Yuehe/0000-0003-3791-7587; FU Natural Science Foundation of China [20705010]; Research Fund for the Doctoral Program of Higher Education of China [20070511015]; Pacific Northwest National Laboratory (PNNL) FX This work is partially supported by the Natural Science Foundation of China (No. 20705010), the Research Fund for the Doctoral Program of Higher Education of China (No. 20070511015), and partially by a LDRD program at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE under Contract DE-AC05-76L01830. NR 50 TC 52 Z9 52 U1 8 U2 45 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 8 BP 1532 EP 1537 DI 10.1039/b919500a PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 553WG UT WOS:000274396900019 ER PT J AU Zhang, P Chi, MF Sharma, S McFarland, E AF Zhang, Peng Chi, Miaofang Sharma, Sudhanshu McFarland, Eric TI Silica encapsulated heterostructure catalyst of Pt nanoclusters on hematite nanocubes: synthesis and reactivity SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID GAS SHIFT REACTION; ALPHA-FE2O3 NANOPARTICLES; CCL4 CHEMISTRY; IRON-OXIDE; CO; SURFACE; OXIDATION; FILMS; PHOTOREDUCTION; HYDROGENATION AB A three-step method was employed to synthesize monodispersed silica encapsulated composite nanostructures with Pt nanoclusters (<1 nm) densely deposited on the surface of core hematite nanocubes by photoreduction of platinum salt, Pt/alpha-Fe(2)O(3)@SiO(2). The nanostructured composite is an active catalyst for the reverse water-gas shift reaction and stable up to 600 degrees C. C1 [Zhang, Peng; Sharma, Sudhanshu; McFarland, Eric] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN 37830 USA. RP McFarland, E (reprint author), Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. EM mcfar@engineering.ucsb.edu RI McFarland, Eric/G-1763-2014; Chi, Miaofang/Q-2489-2015 OI Chi, Miaofang/0000-0003-0764-1567 FU US DOE [DE-FG36-05GO15040] FX The authors thank Miaojun Wang, Wei Tang, and Arnold Forman for many helpful discussions on gas phase catalysis and synthesis and the US DOE Hydrogen Program (DE-FG36-05GO15040) for financial support. The STEM experiments were carried out at the Oak Ridge National Laboratory SHaRE User Facility which is supported by the Division of Scientific User Facilities, DOE Office of Science, Basic Energy Sciences. NR 42 TC 11 Z9 12 U1 1 U2 29 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 10 BP 2013 EP 2017 DI 10.1039/b918208j PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 560RT UT WOS:000274920500025 ER PT J AU Virkar, AA Mannsfeld, SCB Bao, ZN AF Virkar, Ajay A. Mannsfeld, Stefan C. B. Bao, Zhenan TI Energetics and stability of pentacene thin films on amorphous and crystalline octadecylsilane modified surfaces SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; FIELD-EFFECT TRANSISTORS; ORGANIC TRANSISTORS; ELECTRONIC TRANSPORT; GATE DIELECTRICS; GROWTH; NUCLEATION; MORPHOLOGY; PERFORMANCE; SUBSTRATE AB Charge transport in organic thin film transistors (OTFTs) is directly related to the morphology and growth of the organic semiconductor at the dielectric interface. The most commonly used dielectric interface in OTFT research is alkylsilane-modified silicon oxide (SiO(2)). In this report, the nucleation, energetics, and stability of pentacene thin films on methyl-terminated surfaces are discussed. The density of the terminal methyl group was found to be an important parameter for controlling the growth of organic semiconductors. Pentacene growth is two-dimensional (2D) on SiO(2) dielectrics modified with a crystalline, densely packed octadecylsilane (OTS) monolayer. However, it is primarily three-dimensional (3D) on SiO(2) dielectrics modified with an amorphous OTS layer. Beyond a critical OTS density, the interaction between the OTS and pentacene exceeds the pentacene interlayer interaction energy engendering 2D growth which is preferential for high charge carrier mobility. The nucleation density is also much higher on the crystalline OTS compared to the amorphous OTS. The sub-monolayer thin films of pentacene were found to be much more stable on the ordered OTS compared to disordered OTS. Atomic force microscopy (AFM) and Monte Carlo simulations were used to develop a thorough analysis of pentacene film growth and energetics on OTS surfaces. C1 [Virkar, Ajay A.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. [Mannsfeld, Stefan C. B.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Bao, ZN (reprint author), Stanford Univ, Dept Chem Engn, 381 North South Mall, Stanford, CA 94305 USA. EM zbao@stanford.edu FU Stanford Center for Polymeric Interfaces; Macromolecular Assemblies; NSFDMR Solid State Chemistry; Air Force Office of Scientific Research; Sloan Research Fellowship FX We thank Professor Alberto Salleo, Professor Andrew Spakowitz and Dr Chris Bettinger for helpful discussion, and Randy Stoltenberg for help with AFM. This work was partially supported by the Stanford Center for Polymeric Interfaces and Macromolecular Assemblies (NSF-Center MRSEC), NSFDMR Solid State Chemistry, Air Force Office of Scientific Research and a Sloan Research Fellowship NR 43 TC 8 Z9 8 U1 2 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 13 BP 2664 EP 2671 DI 10.1039/b921767c PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 570HE UT WOS:000275662400018 ER PT J AU Zhang, XY Li, HP Cui, XL Lin, YH AF Zhang, Xiao-Yan Li, Hao-Peng Cui, Xiao-Li Lin, Yuehe TI Graphene/TiO2 nanocomposites: synthesis, characterization and application in hydrogen evolution from water photocatalytic splitting SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID WALLED CARBON NANOTUBES; GRAPHITE OXIDE; VISIBLE-LIGHT; TIO2 PHOTOCATALYSTS; CHEMICAL-REDUCTION; TITANIUM-DIOXIDE; COMPOSITE; NANOPARTICLES; ASSEMBLIES; SURFACE AB A series of titanium dioxide and graphene sheets (GSs) composites were synthesized with a sol-gel method using tetrabutyl titanate and graphite oxide (GO) as the starting materials. The obtained TiO2/GSs photocatalysts are characterized by X-ray diffraction, N2 adsorption analysis, Raman spectroscopy, transmission electron microscopy, X-ray photoelectron spectroscopy and ultravioletvisible (UV-vis) diffuse reflectance spectroscopy. The photocatalytic activity of the as-prepared samples was evaluated by hydrogen evolution from water photo-splitting under UV-vis illumination. The influence of GSs content and calcinations atmosphere on the photocatalytic activity was also investigated. The results show that both GSs content and the calcinations atmosphere can affect the photocatalytic activity of the obtained composites. C1 [Zhang, Xiao-Yan; Li, Hao-Peng; Cui, Xiao-Li] Fudan Univ, Dept Mater Sci, Shanghai 200433, Peoples R China. [Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Cui, XL (reprint author), Fudan Univ, Dept Mater Sci, Shanghai 200433, Peoples R China. EM xiaolicui@fudan.edu.cn; yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011; Dom, Rekha/B-7113-2012; 张, 晓艳/A-8125-2016 OI Lin, Yuehe/0000-0003-3791-7587; NR 40 TC 519 Z9 545 U1 89 U2 782 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 14 BP 2801 EP 2806 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 573OY UT WOS:000275925100026 ER PT J AU Zhang, S Shao, YY Yin, GP Lin, YH AF Zhang, Sheng Shao, Yuyan Yin, Geping Lin, Yuehe TI Carbon nanotubes decorated with Pt nanoparticles via electrostatic self-assembly: a highly active oxygen reduction electrocatalyst SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID MEMBRANE FUEL-CELLS; ELECTROPHORETIC DEPOSITION; METHANOL OXIDATION; GOLD NANOPARTICLES; SUPPORTED PLATINUM; CATALYST SUPPORT; SIZE CONTROL; FUNCTIONALIZATION; DURABILITY; SURFACES AB Carbon nanotubes (CNTs) are noncovalently functionalized with poly(allylamine hydrochloride) (PAH) and then employed as the support of Pt nanoparticles. X-Ray photoelectron spectroscopy confirms the successful functionalization of CNTs with PAH. The negatively charged Pt precursors are adsorbed on positively charged PAH-wrapping CNTs surface via electrostatic self-assembly and then in situ reduced in ethylene glycol. X-Ray diffraction and transmission electron microscope images reveal that Pt nanoparticles with an average size of similar to 2.6 nm are uniformly dispersed on CNT surface. Pt/PAH-CNTs exhibit unexpectedly high activity towards oxygen reduction reaction, which can be attributed to the large electrochemical surface area of Pt nanoparticles. It also shows enhanced electrochemical stability due to the structural integrity of PAH-CNTs. This provides a facile approach to synthesize CNTs-based nanoelectrocatalysts. C1 [Zhang, Sheng; Yin, Geping] Harbin Inst Technol, Sch Chem Engn & Technol, Harbin 150001, Peoples R China. [Zhang, Sheng; Shao, Yuyan; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yin, GP (reprint author), Harbin Inst Technol, Sch Chem Engn & Technol, Harbin 150001, Peoples R China. EM yingphit@hit.edu.cn; yuehe.lin@pnl.gov RI Zhang, Sheng/H-2452-2011; Shao, Yuyan/A-9911-2008; Lin, Yuehe/D-9762-2011 OI Zhang, Sheng/0000-0001-7532-1923; Shao, Yuyan/0000-0001-5735-2670; Lin, Yuehe/0000-0003-3791-7587 FU LDRD; Battelle [DE-AC05-76RL01830]; China Scholarship Council; PNNL; National Science Foundation of China [50872027] FX The work was done at Pacific Northwest National Laboratory (PNNL) and was supported by a LDRD program. The characterization was performed using, a national scientific-user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is operated for DOE by Battelle under Contract DE-AC05-76RL01830. The authors would like to acknowledge Dr Chongmin Wang for TEM measurement. S. Zhang acknowledges a fellowship from the China Scholarship Council and PNNL to perform this work at PNNL. G. Yin acknowledges the support from National Science Foundation of China (No. 50872027). NR 47 TC 109 Z9 113 U1 6 U2 71 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 14 BP 2826 EP 2830 DI 10.1039/b919494k PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 573OY UT WOS:000275925100009 ER PT J AU Wu, G Dai, CS Wang, DL Li, DY Li, N AF Wu, Gang Dai, Changsong Wang, Dianlong Li, Deyu Li, Ning TI Nitrogen-doped magnetic onion-like carbon as support for Pt particles in a hybrid cathode catalyst for fuel cells SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID OXYGEN REDUCTION REACTION; HIGH-SURFACE-AREA; METHANOL ELECTROOXIDATION; COMPOSITE FILMS; NANOPARTICLES; ELECTROLYTE; NANOTUBES; ELECTROCATALYSTS; DURABILITY; DEPOSITION AB Pt and non-precious metal catalysts were combined to build a hybrid cathode for fuel cell application, with the aim of dramatically reducing the amount of Pt and increasing the overall catalytic performance. An active nitrogen-doped magnetic onion-like graphitic carbon material (N-Me-C) was synthesized by pyrolyzing a hexamethylene diamine-Me (Me: Co and Fe) complex. The N-Me-C materials proved capable of effectively catalyzing the oxygen reduction reaction (ORR), as evidenced by rotating disk/ring electrode (RDE/RRDE) data showing significant positive shifts of onset and half-wave (E-1/2) potentials and a drop of H2O2 yield, when compared to traditional carbon supporting materials. In the hybrid cathode catalyst, ultra-low loading Pt nanoparticles (2 wt%) were subsequently anchored to the N-Me-C support through a chemical reduction method. The configuration using ultra-low Pt loading is advantageous for mitigating particle agglomeration and improving Pt utilization due to isolated particle distributions and smaller particle sizes. Electrochemical and fuel cell data confirmed that the use of the N-Me-C support leads to a significant enhancement of ORR catalytic activity. It is quite significant that the 2% Pt/N-Me-C cathode with an ultra-low Pt loading of 0.04 mg(-Pt) cm(-2) is effective in generating a current density of ca. 0.14 and 0.59 A cm(-2) at cell voltages of 0.80 and 0.65 V operated in a H-2-air cell, respectively. The corresponding mass activity (A mg(-Pt)(-1)) was increased by factors of 1.4 and 3.5 at 0.65 V, when compared with 2% Pt/C and commercial E-TEK 20% Pt/C cathodes. Extensive physical and electrochemical characterization revealed that the significant improvement in mass activity is mainly attributable to the non-precious ORR active sites on M-Me-C, and also partially to the beneficial support effect of nitrogen doping associated with stronger support-metal interactions and smaller particle sizes. C1 [Wu, Gang; Dai, Changsong; Wang, Dianlong; Li, Deyu; Li, Ning] Harbin Inst Technol, Dept Appl Chem, Harbin 150001, Peoples R China. RP Wu, G (reprint author), Los Alamos Natl Lab, MPA 11, Los Alamos, NM 87545 USA. EM wugang@lanl.gov RI Wu, Gang/E-8536-2010 OI Wu, Gang/0000-0003-4956-5208 FU Postdoctoral Science Foundation [2004035300]; National Natural Science Foundation of China (NSFC) [20435010, 20503012] FX The authors acknowledge the financial support of this work from the Postdoctoral Science Foundation (2004035300), and National Natural Science Foundation of China (NSFC) (20435010, 20503012). We also appreciate Dr Huang Jiugui in Baoshan Iron & Steel Co. for his help to do HRTEM and other analysis. NR 60 TC 57 Z9 59 U1 8 U2 54 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 15 BP 3059 EP 3068 DI 10.1039/b924010a PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 576NR UT WOS:000276152100021 ER PT J AU Small, W Singhal, P Wilson, TS Maitland, DJ AF Small, Ward, IV Singhal, Pooja Wilson, Thomas S. Maitland, Duncan J. TI Biomedical applications of thermally activated shape memory polymers SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID PHOTODYNAMIC THERAPY; IN-VITRO; INTRACRANIAL ANEURYSMS; THERMOMECHANICAL PROPERTIES; MECHANICAL-PROPERTIES; POLYURETHANE SERIES; MAGNETIC NANOPARTICLES; THROMBECTOMY DEVICE; URETHANE NETWORKS; DETACHABLE COILS AB Shape memory polymers (SMPs) are smart materials that can remember a primary shape and can return to this primary shape from a deformed secondary shape when given an appropriate stimulus. This property allows them to be delivered in a compact form via minimally invasive surgeries in humans, and deployed to achieve complex final shapes. Here we review the various biomedical applications of SMPs and the challenges they face with respect to actuation and biocompatibility. While shape memory behavior has been demonstrated with heat, light and chemical environment, here we focus our discussion on thermally stimulated SMPs. C1 [Singhal, Pooja; Maitland, Duncan J.] Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77843 USA. [Small, Ward, IV; Wilson, Thomas S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Maitland, DJ (reprint author), Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77843 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 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 140 TC 134 Z9 136 U1 6 U2 101 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 17 BP 3356 EP 3366 DI 10.1039/b923717h PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 581VO UT WOS:000276553300004 PM 21258605 ER PT J AU Chen, T Chang, DP Liu, T Desikan, R Datar, R Thundat, T Berger, R Zauscher, S AF Chen, Tao Chang, Debby P. Liu, Ting Desikan, Ramya Datar, Ram Thundat, Thomas Berger, Ruediger Zauscher, Stefan TI Glucose-responsive polymer brushes for microcantilever sensing SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID N-ISOPROPYLACRYLAMIDE; CANTILEVER SENSORS; PHYSIOLOGICAL PH; ACTUATION; NANOPATTERNS; LITHOGRAPHY; TEMPERATURE; FABRICATION; SURFACES; RELEASE AB Glucose responsive polymer brushes were synthesized on gold substrates and microcantilever arrays. The response properties of these brushes were evaluated by exposing them to different glucose concentrations for a range of pH values. This work demonstrates the potential for polymer brush-functionalized micromechanical cantilevers as glucose detectors. Furthermore, the work demonstrates that stimulus-responsive polymer brushes on micromechanical cantilevers have a significantly larger bending response due to glucose binding compared with self-assembled monolayers. C1 [Chen, Tao; Chang, Debby P.; Zauscher, Stefan] Duke Univ, Ctr Biologically Inspired Mat & Mat Syst, Durham, NC 27708 USA. [Chen, Tao; Chang, Debby P.; Zauscher, Stefan] Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. [Desikan, Ramya; Thundat, Thomas] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Liu, Ting; Berger, Ruediger] Max Planck Inst Polymer Res, D-55128 Mainz, Germany. [Datar, Ram] Univ Miami, Biomed Nanosci Inst, Miami, FL 33136 USA. RP Zauscher, S (reprint author), Duke Univ, Ctr Biologically Inspired Mat & Mat Syst, Durham, NC 27708 USA. EM zauscher@duke.edu RI Chen, Tao/G-5925-2010; Berger, Rudiger/A-5210-2009; MPIP, AK Butt/B-8805-2009 OI Chen, Tao/0000-0001-9704-9545; FU National Science Foundation [NSF DMR-0502953, NSF NIRT CBET-0609265]; DFG-Sonderforschungsbereich [625] FX S. Z. thanks the National Science Foundation for support through grants NSF DMR-0502953 and NSF NIRT CBET-0609265. R. B. and T. L. thank the DFG-Sonderforschungsbereich 625 "From Single Molecules to Nanoscopically Structured Materials" for support. NR 32 TC 43 Z9 43 U1 3 U2 53 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 17 BP 3391 EP 3395 DI 10.1039/b925583d PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 581VO UT WOS:000276553300007 ER PT J AU Xue, M Zhang, ZJ Xiang, SC Jin, Z Liang, CD Zhu, GS Qiu, SL Chen, BL AF Xue, Ming Zhang, Zhangjing Xiang, Shengchang Jin, Zhao Liang, Chengdu Zhu, Guang-Shan Qiu, Shi-Lun Chen, Banglin TI Selective gas adsorption within a five-connected porous metal-organic framework SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID ZEOLITIC IMIDAZOLATE FRAMEWORKS; SECONDARY BUILDING UNITS; FIXED-BED ADSORPTION; MICROPOROUS METAL; SORPTION PROPERTIES; CARBON-DIOXIDE; COORDINATION POLYMERS; PORE-SIZE; SEPARATION; CHANNELS AB A microporous metal-organic framework, Zn(3)(OH)(L)(2.5)(DMF)(4) 1 (L = 2,5-dichloro-1,4-benzenedicarboxylate and DMF = N,N'-dimethylformamide) of a rare five-connected (4(4))(6(6)) topology was synthesized and structurally characterized. The de-solvated phase is thermally stable up to 350 degrees C, thus activation of this new MOF material at different temperatures of 150 and 300 degrees C under high vacuum formed two microporous materials 1a and 1b, respectively, exhibiting selective gas adsorption behavior with respect to H(2)/N(2) and O(2)/N(2), and CO(2)/CH(4) and CO(2)/N(2). C1 [Xue, Ming; Jin, Zhao; Zhu, Guang-Shan; Qiu, Shi-Lun] Jilin Univ, State Key Lab Inorgan Synth & Preparat Chem, Changchun 130023, Peoples R China. [Xue, Ming; Zhang, Zhangjing; Xiang, Shengchang; Chen, Banglin] Univ Texas San Antonio, Dept Chem, San Antonio, TX 78249 USA. [Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Zhu, GS (reprint author), Jilin Univ, State Key Lab Inorgan Synth & Preparat Chem, Changchun 130023, Peoples R China. EM zhugs@mail.jlu.edu.cn; sgiu@mail.jlu.edu.cn; banglin.chen@utsa.edu RI Chen, Banglin/F-5461-2010; Zhang, Zhangjing/A-1038-2011; Xiang, Shengchang/F-9210-2010; Zhu, Guangshan/E-2024-2013; Liang, Chengdu/G-5685-2013; Zhang, Zhangjing/P-2680-2014 OI Chen, Banglin/0000-0001-8707-8115; Xiang, Shengchang/0000-0001-6016-2587; Zhang, Zhangjing/0000-0003-1264-7648 FU NSF [CHE 0718281]; State Basic Research Project [2006CB806100]; NSFC [20625102, 20831D02, 20771041]; Ministry of Education; Jilin Province Sci-Tech Development Project; Division of Scientific User Facilities, U.S. Department of Energy; [20090131] FX This work was supported by an Award CHE 0718281 from the NSF (B. C.), the State Basic Research Project (2006CB806100), Outstanding Young Scientist Foundation of NSFC (20625102), NSFC (Grant No. 20831D02 and 20771041), "111" program of Ministry of Education, and Jilin Province Sci-Tech Development Project (20090131). This research was partially conducted at the Center for Nanophase Materials Sciences at Oak Ridge National Laboratory, which is sponsored by the Division of Scientific User Facilities, U. S. Department of Energy. NR 49 TC 46 Z9 47 U1 5 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 19 BP 3984 EP 3988 DI 10.1039/b927486c PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 591QT UT WOS:000277318100029 ER PT J AU Wang, XQ Lee, JS Tsouris, C DePaoli, DW Dai, S AF Wang, Xiqing Lee, Je Seung Tsouris, Costas DePaoli, David W. Dai, Sheng TI Preparation of activated mesoporous carbons for electrosorption of ions from aqueous solutions SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID BRACKISH-WATER; CHANNEL STRUCTURE; HYDROGEN STORAGE; KOH ACTIVATION; DESALINATION; ELECTRODE; AEROGEL; CAPACITANCE; STABILITY; POLYMERS AB Mesoporous carbon with a narrow pore size distribution centered at about 9 nm, which was prepared by self assembly of block copolymer and phloroglucinol-formaldehyde resin via the soft-template method, was activated by CO(2) and potassium hydroxide (KOH). The effects of activation conditions, such as the temperature, activation time, and mass ratio of KOH/C, on the textural properties of the resulting activated mesoporous carbons were investigated. Activated mesoporous carbons exhibit high BET specific surface areas (up to similar to 2000 m(2) g(-1)) and large pore volumes (up to similar to 1.6 cm(3) g(-1)), but still maintain a highly mesoporous structure. Heat treatment of mesoporous carbons by CO(2) generally requires a moderate to high extent of activation in order to increase its BET surface area by 2-3 times, while KOH activation needs a much smaller degree of activation than the former to reach an identical surface area, ensuring high yields of activated mesoporous carbons. In addition, KOH activation allows a controllable degree of activation by adjusting the mass ratio of KOH/C (2-8), as evidenced by the fact that surface area and pore volume increase with the mass ratio of KOH/C. The electrosorption properties of activated mesoporous carbons were investigated by cyclic voltammetry in 0.1 M NaCl aqueous solutions. Upon activation, the electrosorption capacitance of activated mesoporous carbons was greatly enhanced. C1 [Wang, Xiqing; Lee, Je Seung; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Tsouris, Costas; DePaoli, David W.] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Wang, Xiqing/E-3062-2010; Tsouris, Costas/C-2544-2016; Dai, Sheng/K-8411-2015 OI Wang, Xiqing/0000-0002-1843-008X; Tsouris, Costas/0000-0002-0522-1027; Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy [DE-AC05-OR22725] FX XW and SD were supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. JSL, CT, and DWD were supported by the Industrial Technologies Program, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy, under contract DE-AC05-OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 33 TC 81 Z9 81 U1 6 U2 80 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 22 BP 4602 EP 4608 DI 10.1039/b925957k PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 601GJ UT WOS:000278046000010 ER PT J AU Worsley, MA Kuntz, JD Satcher, JH Baumann, TF AF Worsley, Marcus A. Kuntz, Joshua D. Satcher, Joe H., Jr. Baumann, Theodore F. TI Synthesis and characterization of monolithic, high surface area SiO2/C and SiC/C composites SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID SILICON-CARBIDE; CARBON; STABILITY; BATTERIES; SUPPORT AB In this study, the synthesis and characterization of high surface area carbon-supported silica and silicon carbide aerogels are presented. An activated carbon aerogel with surface area greater than 3000 m(2) g(-1) was used as a support for the sol-gel deposition of silica. The resulting silica-coated carbon aerogel retained a surface area greater than 2000 m(2) g(-1) and showed improved thermal stability in air. The carbon-supported silicon carbide aerogel was made by the carbothermal reduction of the silica-coated carbon aerogel under flowing Ar at 1500 degrees C. The resulting monolith maintained a surface area greater than 2000 m(2) g(-1) and was stable to temperatures approaching 600 degrees C, 100 degrees C higher than that of the pristine carbon aerogel. C1 [Worsley, Marcus A.; Kuntz, Joshua D.; Satcher, Joe H., Jr.; Baumann, Theodore F.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Worsley, MA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. EM worsley1@llnl.gov RI Worsley, Marcus/G-2382-2014 OI Worsley, Marcus/0000-0002-8012-7727 FU US Department of Energy [DE-AC52-07NA27344]; DOE Office of Energy Efficiency and Renewable Energy FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the DOE Office of Energy Efficiency and Renewable Energy. NR 21 TC 21 Z9 21 U1 8 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 23 BP 4840 EP 4844 DI 10.1039/c0jm00661k PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 604JO UT WOS:000278275500013 ER PT J AU Park, CM Choi, W Hwa, Y Kim, JH Jeong, G Sohn, HJ AF Park, Cheol-Min Choi, Woongchul Hwa, Yoon Kim, Jae-Hun Jeong, Goojin Sohn, Hun-Joon TI Characterizations and electrochemical behaviors of disproportionated SiO and its composite for rechargeable Li-ion batteries SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID AMORPHOUS-SILICON MONOXIDE; LITHIUM SECONDARY BATTERIES; ANODE MATERIAL; NEGATIVE ELECTRODES; CAPACITY; PERFORMANCE; CARBON; NANOCOMPOSITE; INSERTION; CYCLABILITY AB Commercially available solid SiO is composed of amorphous Si with silicon suboxides of various valence states. Solid SiO is thermodynamically unstable at all temperatures, which would disproportionate to Si and SiO(2). Disproportionation of SiO at several temperatures was characterized with various analytical techniques, such as XRD, XPS, NMR and HRTEM methods, and it was found that the sample heat treated at 1000 degrees C contained well-developed Si nanocrystals uniformly dispersed within an amorphous SiO(x) matrix. Using this sample, a nano-Si/SiO(x)/graphite composite was obtained by a straightforward high-energy mechanical milling technique. The nano-Si/SiO(x)/graphite composite was tested as an anode material for Li secondary batteries, and showed better electrochemical behaviors than those of pure SiO. C1 [Park, Cheol-Min; Choi, Woongchul; Hwa, Yoon; Sohn, Hun-Joon] Seoul Natl Univ, Dept Mat Sci & Engn, Res Ctr Energy Convers & Storage, Seoul 151742, South Korea. [Kim, Jae-Hun] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Jeong, Goojin] Kumoh Natl Inst Technol, Green Energy Syst Ctr, Gumi 730701, Gyeongsangbuk D, South Korea. RP Sohn, HJ (reprint author), Seoul Natl Univ, Dept Mat Sci & Engn, Res Ctr Energy Convers & Storage, Seoul 151742, South Korea. EM hjsohn@snu.ac.kr RI Hwa, Yoon/J-3128-2013; OI Hwa, Yoon/0000-0002-3622-4837; Kim, Jae-Hun/0000-0001-6537-0350; Park, Cheol-Min/0000-0001-8204-5760; Kim, Jae-Hun/0000-0002-4252-2590 FU Korea Science and Engineering Foundation (KOSEF) through the Research Center for Energy Conversion and Storage at Seoul National University [R11-2002-102-02001-0] FX This work was supported by the Korea Science and Engineering Foundation (KOSEF) through the Research Center for Energy Conversion and Storage at Seoul National University (Grant No. R11-2002-102-02001-0). NR 58 TC 84 Z9 86 U1 16 U2 120 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 23 BP 4854 EP 4860 DI 10.1039/b923926j PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 604JO UT WOS:000278275500015 ER PT J AU Yu, M Howe, J Jeong, K Shim, I Kim, W Kim, C Ahn, J Lee, J Urban, MW AF Yu, Min Howe, Jane Jeong, Kyunghoon Shim, Inbo Kim, Woochul Kim, Chulsung Ahn, Jaepyoung Lee, Jaegab Urban, Marek W. TI Structural and morphological features of concentric iron oxide/carbon nanotubes obtained from phospholipids SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID MAGNETIC NANOTUBES; FE3O4 NANORODS; FABRICATION; TUBULES AB Biologically active 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphocholine (DC8,9PC) nanotube-forming phospholipids (PLs) have been utilized as templates to prepare ferromagnetic nanotubes (FMNTs). Combining X-ray diffraction (XRD), selected area electron diffraction (SAD), high-resolution transmission electron microscopy (HRTEM), Raman, and Mossbauer spectroscopy measurements, FMNTs morphological features and chemical composition were determined. These studies showed that FMNTs consist of iron oxide/carbon/iron oxide concentric nanotubes with the amorphous carbon phase sandwiched between two iron oxide layers. The iron oxide phase consists of nanocrystalline magnetite (Fe3O4) which coexist as tetrahedral Fe3+ and octahedral Fe2.5+ sites containing minute quantities of hematite (alpha-Fe2O3) phase. The carbon phase consists of amorphous carbon forming an amorphous carbon nanotube (ACNT). Magnetic measurements showed that saturation magnetization (M-s) of FMNTs is 79 emu/g, but upon removal of the iron oxide outer and inner layers, ACNTs become paramagnetic. The electrical resistivity (rho) of single FMNT is 3.3 x 10(-2) Omega.m, which decreases to 5.06 x 10(-4) Omega.m for ACNT. These magneto-electric properties can be easily tailored, depending upon desired applications and needs. C1 [Yu, Min; Urban, Marek W.] Univ So Mississippi, Sch Polymers & High Performance Mat, Hattiesburg, MS 39406 USA. [Howe, Jane] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Jeong, Kyunghoon; Lee, Jaegab] Ctr Mat & Proc Self Assembly, Seoul 136702, South Korea. [Shim, Inbo; Kim, Woochul; Kim, Chulsung] Kookmin Univ, Dept Nano & Elect Phys, Seoul 136702, South Korea. [Ahn, Jaepyoung] Korea Inst Sci & Technol, Nano Mat Anal Ctr, Seoul 136791, South Korea. RP Urban, MW (reprint author), Univ So Mississippi, Sch Polymers & High Performance Mat, Hattiesburg, MS 39406 USA. RI Howe, Jane/G-2890-2011 FU National Science Foundation Materials Research Science Engineering Center [DMR 0213883]; Division of Scientific User Facilities, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy FX Major support for these studies from the National Science Foundation Materials Research Science Engineering Center (DMR 0213883) is acknowledged. The authors are also thankful to Dorothy W. Coffey in Oak Ridge National Lab (ORNL) for the sample preparation of HRTEM and Research at the ORNL SHaRE User Facility, which is supported by the Division of Scientific User Facilities, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. NR 30 TC 3 Z9 3 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 27 BP 5748 EP 5755 DI 10.1039/c0jm00753f PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 618AF UT WOS:000279322600025 ER PT J AU Jen-La Plante, I Zeid, TW Yang, PD Mokari, T AF Jen-La Plante, Ilan Zeid, Tahani W. Yang, Peidong Mokari, Taleb TI Synthesis of metal sulfide nanomaterials via thermal decomposition of single-source precursors SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID SOLAR-CELLS; NANOWIRES; NANOCRYSTALS; GROWTH; CU2S; CHALCOCITE; CRYSTALS; NANORODS; CDS AB In this report, we present a synthetic method for the formation of cuprous sulfide (Cu(2)S) and lead sulfide (PbS) nanomaterials directly on substrates from the thermolysis of single-source precursors. We find that the final morphology and arrangement of the nanomaterials may be controlled through the concentration of the dissolved precursors and choice of solvent. One-dimensional (1-D) morphologies may also be grown onto substrates with the addition of a metal catalyst layer through solution-liquid-solid (SLS) growth. These synthetic techniques may be expanded to other metal sulfide materials. C1 [Jen-La Plante, Ilan; Yang, Peidong; Mokari, Taleb] Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Jen-La Plante, Ilan; Zeid, Tahani W.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Mokari, T (reprint author), Ben Gurion Univ Negev, Dept Chem, Beer Sheva, Israel. EM mokari@bgu.ac.il RI Jen-La Plante, Ilan/C-1500-2010; MOKARI, TALEB/F-1685-2012 FU Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. Department of Energy [DE-AC02-05CH11231] FX The authors wish to thank Dr. Shaul Aloni for assistance with transmission electron microscopy. Work at the Molecular Foundry was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. Department of Energy, under Contract DE-AC02-05CH11231. NR 33 TC 48 Z9 49 U1 4 U2 46 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 32 BP 6612 EP 6617 DI 10.1039/c0jm00439a PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 635LE UT WOS:000280656200003 ER PT J AU Chen, L Shet, S Tang, HW Wang, HL Deutsch, T Yan, YF Turner, J Al-Jassim, M AF Chen, Le Shet, Sudhakar Tang, Houwen Wang, Heli Deutsch, Todd Yan, Yanfa Turner, John Al-Jassim, Mowafak TI Electrochemical deposition of copper oxide nanowires for photoelectrochemical applications SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; THIN-FILMS; CUPROUS-OXIDE; CU2O; DECOMPOSITION; MATRIX; WATER; GAP; CUO AB We report a two-step electrochemical process to grow copper oxide nanowires without the use of templates and surfactants. The first step is to electrochemically corrode amorphous Cu-W oxides pre-sputtered on fluorine-doped tin oxide (FTO) coated glass substrates under positive potentials. The second step is to use the corroded samples to grow copper oxide nanowires electrochemically under negative potentials. We find that copper oxide nanowires grown by this method exhibit excellent contact with the FTO-coated substrates leading to good charge transfer. The oxidation states, i.e., CuO or Cu(2)O, and morphology of nanowires can be controlled by the applied potentials. Cu2O nanowires grown using this method reveal moderate photoelectrochemical response and stability under illumination and under cathodic bias. C1 [Chen, Le; Shet, Sudhakar; Tang, Houwen; Wang, Heli; Deutsch, Todd; Yan, Yanfa; Turner, John; Al-Jassim, Mowafak] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Chen, L (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Le.Chen@nrel.gov; Yanfa.Yan@nrel.gov OI Deutsch, Todd/0000-0001-6577-1226 FU U.S. Department of Energy [DE-AC36-08GO28308] FX This work is supported by the U.S. Department of Energy under contract no. DE-AC36-08GO28308. NR 27 TC 39 Z9 39 U1 0 U2 63 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 33 BP 6962 EP 6967 DI 10.1039/c0jm01228a PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 637LB UT WOS:000280818000019 ER PT J AU Myung, ST Amine, K Sun, YK AF Myung, Seung-Taek Amine, Khalil Sun, Yang-Kook TI Surface modification of cathode materials from nano- to microscale for rechargeable lithium-ion batteries SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID POSITIVE ELECTRODE MATERIAL; COATED LINI0.5MN1.5O4 SPINEL; ELEVATED-TEMPERATURE PERFORMANCE; X-RAY-DIFFRACTION; ELECTROCHEMICAL PROPERTIES; SECONDARY BATTERIES; LICOO2 CATHODE; LIMN2O4 SPINEL; 4.5 V; INSERTION MATERIAL AB The present concern with global warming urgently requires a large increase in the energy share provided by green, renewable energy sources, as well as massive commercialization of sustainable vehicles. The widespread availability of reliable energy storage systems and highly efficient lithium batteries can, in principle, meet this need. For example, many individuals already own at least one lithium-ion battery portable device, such as a cellular phone, MP3 player, digital camera, or laptop computer. Hybrid electric vehicles and full electric vehicles will sooner or later be marketed with lithium-ion batteries. However, to acquire an established role in the commercial sector, lithium-ion batteries must be improved with regard to energy density, cost, and particularly, safety. Further development of electrode materials, especially the cathode active materials, is important to satisfy the above requirements. The easiest route to cathode improvement is to modify the cathode surface. This article describes recent advances in cathode active materials with surface modification from the nano-to microscale. C1 [Myung, Seung-Taek] Iwate Univ, Dept Chem Engn, Morioka, Iwate 0208551, Japan. [Amine, Khalil] Argonne Natl Lab, Electrochem Technol Program, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Sun, Yang-Kook] Hanyang Univ, Dept WCU Energy Engn, Seoul 133791, South Korea. [Sun, Yang-Kook] Hanyang Univ, Dept Chem Engn, Seoul 133791, South Korea. RP Myung, ST (reprint author), Iwate Univ, Dept Chem Engn, 4-3-5 Ueda, Morioka, Iwate 0208551, Japan. EM smyung@iwate-u.ac.jp; yksun@hanyang.ac.kr RI Sun, Yang-Kook/B-9157-2013; Amine, Khalil/K-9344-2013; OI Sun, Yang-Kook/0000-0002-0117-0170; Myung, Seung-Taek/0000-0001-6888-5376 FU Korea government (MEST) [2009-0092780]; Ministry of Education, Science and Technology (MEST) of Korea [2009-0063371] FX This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. 2009-0092780) and grant funded from the Ministry of Education, Science and Technology (MEST) of Korea for the Center for Next Generation Dye-sensitized Solar Cells (No. 2009-0063371). NR 92 TC 80 Z9 81 U1 4 U2 83 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 34 BP 7074 EP 7095 DI 10.1039/c0jm00508h PG 22 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 641FH UT WOS:000281109700002 ER PT J AU Xu, P Zhang, B Mack, NH Doorn, SK Han, XJ Wang, HL AF Xu, Ping Zhang, Bin Mack, Nathan H. Doorn, Stephen K. Han, Xijiang Wang, Hsing-Lin TI Synthesis of homogeneous silver nanosheet assemblies for surface enhanced Raman scattering applications SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID FACILE SYNTHESIS; CHEMICAL-DEPOSITION; POLYANILINE NANOFIBERS; CATALYTIC-PROPERTIES; METAL NANOPARTICLES; GOLD; FABRICATION; NANOCUBES; NANOCOMPOSITES; SPECTROSCOPY AB Conducting polymers have been proved to be effective reducing agents in the synthesis of noble metal nanoparticles. We demonstrate here the fabrication of homogeneous Ag nanosheet assemblies on conducting polymer membranes with 5 wt% polyaniline (PANI) substituted by conductive additives like graphite (G) or multi-walled carbon nanotubes (CNTs). The inclusion of conductive additives that act as electrical connectors for the PANI particles changes the surface property and creates a homogeneous nucleation environment, leading to the membrane surface completely covered by the Ag nanosheet structures. The pack density of the nanosheets can be simply tuned by modulating the concentration of AgNO(3) aqueous solution. The as-prepared Ag nanosheet assemblies with abundant interstitial sites show strong SERS responses toward the mercaptobenzoic acid (MBA) molecules, with a detection sensitivity down to 5 ppm. A proper acid etching of these Ag nanosheet structures in 0.1 M HNO(3) aqueous solution makes the nanoparticles that form the nanosheets much more exposed to the analyte molecules, and an even stronger Raman enhancement can be obtained. We believe the homogeneous Ag nanosheet assemblies supported on conducting polymer membranes can be sensitive and cost-effective SERS substrates in molecule detection. C1 [Xu, Ping; Zhang, Bin; Han, Xijiang] Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. [Xu, Ping; Mack, Nathan H.; Doorn, Stephen K.; Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Xu, P (reprint author), Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. EM pxu@hit.edu.cn; hanxj63@yahoo.com.cn; hwang@lanl.gov RI Xu, Ping/I-1910-2013 OI Xu, Ping/0000-0002-1516-4986 FU Chinese Scholarship Council (CSC); NSFC [20776032]; DOE, BES Office of Science; NNEDC; CINT, at LANL [DE-AC52-06NA25396]; SNL [DE-AC04-94AL85000] FX PX thanks the support from the Chinese Scholarship Council (CSC) and NSFC (No. 20776032). HLW acknowledges the financial support from LDRD fund under the auspices of DOE, BES Office of Science, and NNEDC. This work was performed in part at CINT, at LANL (Contract DE-AC52-06NA25396) and SNL (Contract DE-AC04-94AL85000). NR 33 TC 33 Z9 33 U1 5 U2 65 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 34 BP 7222 EP 7226 DI 10.1039/c0jm01322f PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 641FH UT WOS:000281109700024 ER PT J AU Chen, ZX Cao, YL Qian, JF Ai, XP Yang, HX AF Chen, Zhongxue Cao, Yuliang Qian, Jiangfeng Ai, Xinping Yang, Hanxi TI Facile synthesis and stable lithium storage performances of Sn- sandwiched nanoparticles as a high capacity anode material for rechargeable Li batteries SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID ION BATTERIES; C COMPOSITE; ELECTROCHEMICAL PERFORMANCE; NEGATIVE ELECTRODE; ALLOY ELECTRODES; THIN-FILM; TIN; CARBON; NANOMATERIALS; STABILITY AB A simple synthetic route was developed to obtain Sn-sandwiched composite nanoparticles by mechanical ball-milling ductile Sn particles with rigid SiC nanocores to form a SiC@Sn core-shell nanocomposite and then carbon-coating the SiC@Sn nanoparticles with graphite to produce the SiC@Sn@C nanoparticles. Such a novel nanostructure can effectively buffer the mechanical stress and prevent the aggregation of the Sn nanolayer and therefore improve the electrochemical utilization and cycling stability of electroactive Sn during Li-storage reaction. The Sn-sandwiched nanoparticles as-prepared exhibited a considerable high Li-storage capacity of similar to 600 mA h g(-1) and an excellent cycling stability with similar to 90% capacity retention at 100 cycles, showing a prospect for practical lithium battery applications. In particular, the reported synthetic method is very simple, low-cost and pollution-free, enabling it to be readily adopted for large-scale production and also to be extended for other attractive lithium storage metals and alloys. C1 [Chen, Zhongxue; Cao, Yuliang; Qian, Jiangfeng; Ai, Xinping; Yang, Hanxi] Wuhan Univ, Coll Chem & Mol Sci, Hubei Key Lab Electrochem Power Sources, Wuhan 430072, Peoples R China. [Cao, Yuliang] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Cao, YL (reprint author), Wuhan Univ, Coll Chem & Mol Sci, Hubei Key Lab Electrochem Power Sources, Wuhan 430072, Peoples R China. EM ylcao@whu.edu.cn; hxyang@whu.edu.cn RI Chen, Zhongxue/J-9070-2014 FU National Basic Research Program of China [2009CB220103]; National Science Foundation of China [20873095] FX This work is financially supported by The National Basic Research Program of China (2009CB220103) and National Science Foundation of China (No. 20873095). NR 43 TC 41 Z9 42 U1 2 U2 46 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 34 BP 7266 EP 7271 DI 10.1039/c0jm00829j PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 641FH UT WOS:000281109700030 ER PT J AU Shao, YY Zhang, S Engelhard, MH Li, GS Shao, GC Wang, Y Liu, J Aksay, IA Lin, YH AF Shao, Yuyan Zhang, Sheng Engelhard, Mark H. Li, Guosheng Shao, Guocheng Wang, Yong Liu, Jun Aksay, Ilhan A. Lin, Yuehe TI Nitrogen-doped graphene and its electrochemical applications SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID OXYGEN-REDUCTION CATALYSTS; ELECTROLYTE FUEL-CELLS; CHEMICAL-VAPOR-DEPOSITION; CARBON NANOTUBES; FUNCTIONALIZED GRAPHENE; GRAPHITE OXIDE; ELECTROCATALYTIC ACTIVITY; RAMAN-SPECTROSCOPY; GLUCOSE-OXIDASE; HIGH-YIELD AB Nitrogen-doped graphene (N-graphene) is obtained by exposing graphene to nitrogen plasma. N-graphene exhibits much higher electrocatalytic activity toward oxygen reduction and H(2)O(2) reduction than graphene, and much higher durability and selectivity than the widely-used expensive Pt for oxygen reduction. The excellent electrochemical performance of N-graphene is attributed to nitrogen functional groups and the specific properties of graphene. This indicates that N-graphene is promising for applications in electrochemical energy devices (fuel cells, metal-air batteries) and biosensors. C1 [Shao, Yuyan; Zhang, Sheng; Engelhard, Mark H.; Li, Guosheng; Shao, Guocheng; Wang, Yong; Liu, Jun; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wang, Yong] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Aksay, Ilhan A.] Princeton Univ, Dept Biol & Chem Engn, Princeton, NJ 08544 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Aksay, Ilhan/B-9281-2008; Zhang, Sheng/H-2452-2011; Shao, Yuyan/A-9911-2008; Lin, Yuehe/D-9762-2011; Shao, Guocheng/D-2307-2012; Engelhard, Mark/F-1317-2010; Wang, Yong/C-2344-2013; OI Zhang, Sheng/0000-0001-7532-1923; Shao, Yuyan/0000-0001-5735-2670; Lin, Yuehe/0000-0003-3791-7587; Engelhard, Mark/0000-0002-5543-0812 FU Laboratory Directed Research; Pacific Northwest National Laboratory (PNNL); China Scholarship Council; ARRA/AFOSR [FA9550-09-1-0523]; ARO MURI [W911NF-04-1-0178] FX This work is supported by a Laboratory Directed Research and Development program at Pacific Northwest National Laboratory (PNNL). The characterization was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is operated for the DOE by Battelle under Contract DE-AC05-76RL01830. SZ acknowledges a fellowship from the China Scholarship Council to perform this work at PNNL. IAA acknowledges support from ARRA/AFOSR under Grant No. FA9550-09-1-0523 and ARO MURI under Contract No. W911NF-04-1-0178. NR 69 TC 486 Z9 493 U1 54 U2 504 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 35 BP 7491 EP 7496 DI 10.1039/c0jm00782j PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 642NV UT WOS:000281223200027 ER PT J AU Wang, RG Crozier, PA Sharma, R AF Wang, Ruigang Crozier, Peter A. Sharma, Renu TI Nanoscale compositional and structural evolution in ceria zirconia during cyclic redox treatments SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID CEO2-ZRO2 MIXED OXIDES; SOLID-SOLUTIONS; CRYSTAL-STRUCTURE; OXYGEN VACANCIES; 3-WAY CATALYSIS; BEHAVIOR; TEMPERATURE; NANOPARTICLES; REDUCTION; OXIDATION AB We report changes in nanoscale composition and structure in individual ceria zirconia nanoparticles (nominal composition Ce(0.7)Zr(0.3)O(2)), before and after redox treatment, determined by energy dispersive X-ray (EDX) analysis using scanning transmission electron microscopy (STEM) and high resolution transmission electron microscopy (HRTEM) imaging. According to the chemical analysis of individual nanoparticles, the redox treatments promote the formation of more compositionally homogenous ceria zirconia solid solution nanoparticles, resulting in a uniform low-temperature reduction. Local pyrochlore-type cation ordering in individual nanoparticles was also observed after the high temperature reduction step. For nanoparticles with 70% ceria content, redox cycling treatment was critical to obtain material which exhibits a strong low temperature reducibility. The origin of significant X-ray diffraction line broadening and particle sintering mechanism in the solid solution nanopowders are discussed based on compositional and structural variation within and between individual nanoparticles and oxygen vacancies formed during high temperature reduction treatment. C1 [Wang, Ruigang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Crozier, Peter A.] Arizona State Univ, Sch Mech Aerosp Chem & Mat Engn, Tempe, AZ 85287 USA. [Sharma, Renu] Natl Inst Stand & Technol, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA. RP Wang, RG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM rgwang@lbl.gov RI Wang, Ruigang/C-2769-2011 FU National Science Foundation [NSF-CTS-0306688] FX The support from the National Science Foundation (NSF-CTS-0306688) and the use of TEM at the John M. Cowley Center for High Resolution Microscopy at Arizona State University are gratefully acknowledged. NR 33 TC 5 Z9 5 U1 2 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 35 BP 7497 EP 7505 DI 10.1039/c0jm01194k PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 642NV UT WOS:000281223200028 ER PT J AU Chen, ZH Qin, Y Amine, K Sun, YK AF Chen, Zonghai Qin, Yan Amine, Khalil Sun, Y. -K TI Role of surface coating on cathode materials for lithium-ion batteries SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID CARBON-COATED LINI1/3CO1/3MN1/3O2; POSITIVE ELECTRODE MATERIAL; ATOMIC LAYER DEPOSITION; LICOO2 CATHODE; SECONDARY BATTERIES; THERMAL-STABILITY; 4.5 V; ELECTROCHEMICAL PERFORMANCE; CONDUCTING ELECTROLYTES; ELEVATED-TEMPERATURE AB Surface coating of cathode materials has been widely investigated to enhance the life and rate capability of lithium-ion batteries. The surface coating discussed here was divided into three different configurations which are rough coating, core shell structure coating and ultra thin film coating. The mechanism of surface coating in achieving improved cathode performance and strategies to carry out this surface modification is discussed. An outlook on atomic layer deposition for lithium ion battery is also presented. C1 [Chen, Zonghai; Qin, Yan; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Sun, Y. -K] Hanyang Univ, Dept Chem Engn, Dept WCU Energy Engn, Seoul 133791, South Korea. RP Amine, K (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM amine@anl.gov; yksun@hanyang.ac.kr RI Sun, Yang-Kook/B-9157-2013; Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013 OI Sun, Yang-Kook/0000-0002-0117-0170; FU U.S. Department of Energy by UChicago Argonne, LLC [DE-AC02-06CH11357]; Korea government (MEST) [2009-0092780] FX Research funded by U. S. Department of Energy, FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. This work was also supported by the Korea Science and Engineering Foundation (KOSEF) grant funded by the Korea government (MEST) (No. 2009-0092780). NR 63 TC 185 Z9 189 U1 27 U2 252 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 36 BP 7606 EP 7612 DI 10.1039/c0jm00154f PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 644VY UT WOS:000281411000002 ER PT J AU Nune, SK Thallapally, PK McGrail, BP AF Nune, Satish K. Thallapally, Praveen K. McGrail, B. Peter TI Metal organic gels (MOGs): a new class of sorbents for CO2 separation applications SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID CARBON-DIOXIDE; FRAMEWORK; ADSORPTION; MOLECULES; SITES; MEMBRANES; CO2/CH4; ROUTE; PORES AB MOGs with excellent thermal stability and porosity have been synthesized at room temperature. The strength of the MOGs obtained depend on the raw materials used, reaction time, temperature, concentration of reactants and the processing conditions. MOGs with higher internal surface areas were obtained using near supercritical processing conditions. Measurement of CO2 sorption isotherm of MOG-1a at high pressure (30 bar) suggests 33 wt% (7.5 mmol g(-1)) of CO2 with a reversible uptake and release. To our knowledge this is the first study on the utilization of the MOGs for CO2 capture applications. Significant uptake of CO2 at high pressure (similar to 30 bar) clearly reveals the significant potential of these materials for their applications as solid sorbents. C1 [Nune, Satish K.; Thallapally, Praveen K.; McGrail, B. Peter] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM praveen.thallapally@pnl.gov RI thallapally, praveen/I-5026-2014 OI thallapally, praveen/0000-0001-7814-4467 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152]; DOE [DE-AC05-76RL01830] FX PKT thank the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC020105-FWP12152 for synthesis and characterization of MOGs. We also thank, Department of Energy - Office of Fossil Energy for gas sorption measurements on MOG's. PNNL is a multiprogram national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 29 TC 41 Z9 41 U1 3 U2 52 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 36 BP 7623 EP 7625 DI 10.1039/c0jm01907k PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 644VY UT WOS:000281411000004 ER PT J AU Wang, W Howe, JY Li, YA Qiu, XF Joy, DC Paranthaman, MP Doktycz, MJ Gu, BH AF Wang, Wei Howe, Jane Y. Li, Yuan Qiu, Xiaofeng Joy, David C. Paranthaman, M. Parans Doktycz, Mitchel J. Gu, Baohua TI A surfactant and template-free route for synthesizing ceria nanocrystals with tunable morphologies SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID CEO2 NANOCRYSTALS; HYDROTHERMAL SYNTHESIS; NANOPARTICLES; NANORODS; NANOWIRES; NANOTUBES; OXIDATION; NANOCUBES; POWDERS; PARTICLES AB Nanosized crystalline ceria (CeO(2)) is synthesized through a surfactant- and template-free solution precipitation-hydrothermal method. We report that pure CeO(2) nanocrystals with shapes consisting of nanospheres, nanowires, and nanorods can be obtained simply by varying the anionic composition or the type of counter ion, such as chloride, nitrate and phosphate in solution before the hydrothermal treatment. The shape-controlling effect of these anions is explained by the selective interaction of these ions with specific facets of CeO(2), leading to the growth of CeO(2) nanocrystals with varying morphologies. Unlike techniques that require the use of organic and inorganic additives or templates, the new methodology represents a simple yet effective means to fabricate CeO(2) nanowires or nanoparticles with the potential to be further tuned to provide a morphologically controllable route for tailoring and designing CeO(2) nanomaterials for a wide variety of applications. C1 [Wang, Wei; Li, Yuan; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Howe, Jane Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Qiu, Xiaofeng; Paranthaman, M. Parans] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Doktycz, Mitchel J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Joy, David C.; Doktycz, Mitchel J.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Wang, W (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM wangw@ornl.gov RI Doktycz, Mitchel/A-7499-2011; Wang, Wei/B-5924-2012; Gu, Baohua/B-9511-2012; Paranthaman, Mariappan/N-3866-2015 OI Doktycz, Mitchel/0000-0003-4856-8343; Gu, Baohua/0000-0002-7299-2956; Paranthaman, Mariappan/0000-0003-3009-8531 FU Office of Science, Biological and Environmental Research; Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy (DOE); Division of Scientific User Facilities, U.S. DOE; U.S. DOE [DE-AC05-00OR22725] FX This research was supported by the Office of Science, Biological and Environmental Research, and the Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy (DOE). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory (ORNL) by the Division of Scientific User Facilities, U.S. DOE. ORNL is managed by UT-Battelle LLC for the U.S. DOE under contract No. DE-AC05-00OR22725. NR 45 TC 21 Z9 21 U1 4 U2 49 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 36 BP 7776 EP 7781 DI 10.1039/c0jm00982b PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 644VY UT WOS:000281411000026 ER PT J AU Slowing, II Vivero-Escoto, JL Trewyn, BG Lin, VSY AF Slowing, Igor I. Vivero-Escoto, Juan L. Trewyn, Brian G. Lin, Victor S. -Y. TI Mesoporous silica nanoparticles: structural design and applications SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID RESPONSIVE CONTROLLED-RELEASE; CORRELATION NMR-SPECTROSCOPY; DRUG-DELIVERY SYSTEM; HUMAN CANCER-CELLS; MOLECULAR-SIEVES; MAGNETIC-RESONANCE; GUEST MOLECULES; CO-CONDENSATION; SITE-ISOLATION; AMINO-GROUPS AB The structural properties of mesoporous silica nanoparticles are reviewed. Different strategies for the introduction of functional groups are considered. Based on the architectural features of the material, the functionalization at defined regions of the particles is described, along with the properties emerging from the corresponding site-specific modifications of their chemistry. Many applications derived from the unique architecture and chemistry of these nanostructured composite materials are shown. C1 [Slowing, Igor I.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. RP Slowing, II (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM islowing@iastate.edu; bgtrewyn@iastate.edu RI Vivero-Escoto, Juan/I-8015-2014; OI Slowing, Igor/0000-0002-9319-8639 FU US Department of Energy, Office of Basic Energy Sciences, Catalysis Science [DE-AC02-07CH11358] FX In memoriam V. S.-Y. Lin "... for he taught us how to play with sand...''. The authors wish to thank the US Department of Energy, Office of Basic Energy Sciences, Catalysis Science Grant Contract No. DE-AC02-07CH11358) for funding. NR 168 TC 176 Z9 178 U1 13 U2 120 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 37 BP 7924 EP 7937 DI 10.1039/c0jm00554a PG 14 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 648XB UT WOS:000281726600003 ER PT J AU Zhang, LZ Lyons, L Newhouse, J Zhang, ZC Straughan, M Chen, ZH Amine, K Hamers, RJ West, R AF Zhang, Lingzhi Lyons, Leslie Newhouse, Jocelyn Zhang, Zhengcheng Straughan, Megan Chen, Zonghai Amine, Khalil Hamers, Robert J. West, Robert TI Synthesis and characterization of alkylsilane ethers with oligo(ethylene oxide) substituents for safe electrolytes in lithium-ion batteries SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID POLYMERS; LIQUIDS AB Alkylsilane ethers, containing one or three carbon spacer groups between the silicon atom and oligo(ethylene oxide) moiety, were designed and synthesized. These compounds are non-hydrolyzable and less flammable than their alkoxysilane counterparts. A full cell test using them as electrolyte solvents showed good cycling performance in lithium-ion batteries. C1 [Zhang, Lingzhi; Zhang, Zhengcheng; Hamers, Robert J.; West, Robert] Univ Wisconsin, Dept Chem, Organosil Res Ctr, Madison, WI 53706 USA. [Zhang, Lingzhi] Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou 510640, Guangdong, Peoples R China. [Lyons, Leslie; Newhouse, Jocelyn; Straughan, Megan] Grinnell Coll, Dept Chem, Grinnell, IA 50112 USA. [Chen, Zonghai; Amine, Khalil] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP West, R (reprint author), Univ Wisconsin, Dept Chem, Organosil Res Ctr, 1101 Univ Ave, Madison, WI 53706 USA. EM west@chem.wisc.edu RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013; Hamers, Robert/C-6466-2008 OI Hamers, Robert/0000-0003-3821-9625 FU National Science Foundation [0724469]; Ministry of Education, Science and Technology [R33-10082]; Chinese Academy of Sciences; NSFC [0901021001]; NIH [NIH 1 S10 RRO 8389-01, CHE-96296887]; NSF-MRI [0116159] FX This work is based in part on research sponsored by the National Science Foundation Grant 0724469. RW, RH, and LZ have a financial interest in the results of this work. RW thanks the WCU program through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology (R33-10082) for support. LZ thanks the Hundred Talents Program of Chinese Academy of Sciences and NSFC (0901021001) for support. The NMR instruments in this research were funded by NIH (Grant NIH 1 S10 RRO 8389-01 and CHE-96296887). Instrumentation at Grinnell was funded by the NSF-MRI program (Grant no. 0116159). NR 24 TC 20 Z9 22 U1 5 U2 34 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 38 BP 8224 EP 8226 DI 10.1039/c0jm01596b PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 652LC UT WOS:000282006900004 ER PT J AU Verduzco, R Luchette, P Hong, SH Harden, J DiMasi, E Palffy-Muhoray, P Kilbey, SM Sprunt, S Gleeson, JT Jakli, A AF Verduzco, Rafael Luchette, Paul Hong, Seung Ho Harden, John DiMasi, Elaine Palffy-Muhoray, Peter Kilbey, S. Michael, II Sprunt, Samuel Gleeson, Jim T. Jakli, Antal TI Bent-core liquid crystal elastomers SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID ORDER-PARAMETER FLUCTUATIONS; NEMATIC PHASE; MOLECULES; BEHAVIOR; FIELD; GELS AB Liquid crystal (LC) elastomers with bent-core side-groups incorporate the properties of bent-core liquid crystals in a flexible and self-supporting polymer network. Bent-core liquid crystal elastomers (BCEs) with uniform alignment were prepared by attaching a reactive bent-core LC to poly(hydrogenmethylsiloxane) and crosslinking with a divinyl crosslinker. Phase behavior studies indicate a nematic phase over a wide temperature range that approaches room temperature, and thermoelastic measurements show that these BCEs can reversibly change their length by more than a factor of two upon heating and cooling. Small-angle X-ray scattering studies reveal multiple, broad low-angle peaks consistent with short-range smectic C order of the bent-core side groups. A comparison of these patterns with predictions of a Landau model for short-range smectic C order shows that the length scale for smectic ordering in BCEs is similar to that seen in pure bent-core LCs. The combination of rubber elasticity and smectic ordering of the bent-core side groups suggests that BCEs may be promising materials for sensing, actuating, and other advanced applications. C1 [Verduzco, Rafael; Kilbey, S. Michael, II] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Luchette, Paul; Harden, John; Palffy-Muhoray, Peter; Jakli, Antal] Kent State Univ, Inst Liquid Crystal, Kent, OH 44242 USA. [Luchette, Paul; Harden, John; Palffy-Muhoray, Peter; Jakli, Antal] Kent State Univ, Chem Phys Interdisciplinary Program, Kent, OH 44242 USA. [Hong, Seung Ho; Sprunt, Samuel; Gleeson, Jim T.] Kent State Univ, Dept Phys, Kent, OH 44242 USA. [DiMasi, Elaine] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Kilbey, S. Michael, II] Univ Tennessee, Dept Chem, Knoxville, TN 37966 USA. RP Verduzco, R (reprint author), Rice Univ, 6100 Main St,MS-362, Houston, TX 77008 USA. EM rafaelv@rice.edu; dimasi@bnl.gov; mpalffy@cpip.kent.edu; mkilbey@ion.chem.utk.edu; ssprunt@kent.edu FU NSF [DMR-0606160]; Office of Naval Research [N00014-07] FX We are indebted to Ron Pindak for several helpful conversations. This work at Kent State University was supported by NSF Grant No. DMR-0606160 and Office of Naval Research Grant No. N00014-07. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U. S. Department of Energy. 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. The elastomers were prepared by the New Liquid Crystal Materials Facility at Kent State University, a program sponsored by the NSF Grant No. DMR-0606357, the Ohio Department of Development, and Alpha Micron, Inc. NR 34 TC 15 Z9 15 U1 4 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 39 BP 8488 EP 8495 DI 10.1039/c0jm01920h PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 655DM UT WOS:000282223700010 ER PT J AU Park, TJ Levchenko, AA Zhou, HJ Wong, SS Navrotsky, A AF Park, Tae-Jin Levchenko, Andrey A. Zhou, Hongjun Wong, Stanislaus S. Navrotsky, Alexandra TI Shape-dependent surface energetics of nanocrystalline TiO2 SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID HIGH-TEMPERATURE CALORIMETRY; ANATASE TIO2(101); PHASE-STABILITY; WATER; TRANSFORMATION; NANOPARTICLES; TITANIA; GROWTH; NANOSTRUCTURES; DIRECTIONS AB We report the direct determination of surface enthalpies for nanophase TiO2 anatase with different morphologies derived from drop solution calorimetry in a molten sodium molybdate (3Na(2)O center dot 4MoO(3)) solvent at 702 degrees C. The energetics of surface hydration has been measured using a Calvet microcalorimeter coupled with a gas dosing system. The surface enthalpies of hydrated surfaces for anatase TiO2 nanoparticles, nanowires and sea-urchin-like assemblies are 0.51 +/- 0.05, 1.07 +/- 0.28, and 1.29 +/- 0.16 J m(-2), respectively, whereas those of anhydrous surfaces are 0.74 +/- 0.04, 1.24 +/- 0.28, and 1.41 +/- 0.16 J m(-2), respectively. The trend in TiO2, which shows higher surface enthalpies for more complex nanostructures, is consistent with that reported in ZnO. The shape-dependent surface enthalpy at the nanoscale level is discussed in terms of exposed surface structures. The enthalpies of hydration appear to be similar for all morphologies. C1 [Park, Tae-Jin; Levchenko, Andrey A.; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. [Park, Tae-Jin; Levchenko, Andrey A.; Navrotsky, Alexandra] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. [Zhou, Hongjun; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Navrotsky, A (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, 1 Shields Ave, Davis, CA 95616 USA. EM anavrotsky@ucdavis.edu RI Zhou, Hongjun/A-1304-2011 FU US Department of Energy [DE-FG02-05ER15667, DE-AC02-98CH10886] FX We acknowledge the US Department of Energy (grants DE-FG02-05ER15667 and DE-AC02-98CH10886) for support. We thank Sergey Ushakov and Gustavo Costa for thoughtful discussion. NR 22 TC 22 Z9 23 U1 3 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 39 BP 8639 EP 8645 DI 10.1039/c0jm02192j PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 655DM UT WOS:000282223700029 ER PT J AU Mayes, RT Tsouris, C Kiggans, JO Mahurin, SM DePaoli, DW Dai, S AF Mayes, Richard T. Tsouris, Costas Kiggans, James O., Jr. Mahurin, Shannon M. DePaoli, David W. Dai, Sheng TI Hierarchical ordered mesoporous carbon from phloroglucinol-glyoxal and its application in capacitive deionization of brackish water SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID FORMALDEHYDE; ELECTROSORPTION; AEROGEL; DESALINATION; IMPROVEMENT; TECHNOLOGY; RESORCINOL; ELECTRODES; MONOLITHS; RESINS AB Templated carbon materials have recently received tremendous attention due to energy storage and separations applications. Hierarchical structures are ideal for increased mass-transport throughout the carbon material. A new ordered mesoporous carbon material has been developed using glyoxal which exhibits a hierarchical structure with pore sizes up to 200 nm. The hierarchical structure arises from the cross linking reagent and not from the standard spinodal decomposition of a secondary solvent. The carbon material was studied for potential application as a capacitive deionization (CDI) electrode for brackish water. Results indicate that the hierarchical structure provides a pathway for faster adsorption kinetics when compared to standard resorcinol-formaldehyde CDI electrodes. C1 [Mayes, Richard T.; Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Tsouris, Costas; DePaoli, David W.] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN USA. [Kiggans, James O., Jr.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Tsouris, Costas/C-2544-2016; Dai, Sheng/K-8411-2015; Mayes, Richard/G-1499-2016 OI Tsouris, Costas/0000-0002-0522-1027; Dai, Sheng/0000-0002-8046-3931; Mayes, Richard/0000-0002-7457-3261 FU U.S. DOE Office of Energy Efficiency and Renewable Energy (EERE) [DE-AC05-0096OR22725]; Oak Ridge National Laboratory; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors would like to thank Dr. Gabriel Veith of the Material Science and Technology Division at Oak Ridge National Laboratory for XPS measurements of the two mesoporous carbon samples. This work was conducted at the Oak Ridge National Laboratory and supported by the U.S. DOE Office of Energy Efficiency and Renewable Energy (EERE), under Contract DE-AC05-0096OR22725 with Oak Ridge National Laboratory, managed by UT-Battelle, LLC. SM and SD were supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. NR 41 TC 78 Z9 78 U1 11 U2 97 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 EI 1364-5501 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 39 BP 8674 EP 8678 DI 10.1039/c0jm01911a PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 655DM UT WOS:000282223700034 ER PT J AU Pan, AQ Zhang, JG Nie, ZM Cao, GZ Arey, BW Li, GS Liang, SQ Liu, J AF Pan, Anqiang Zhang, Ji-Guang Nie, Zimin Cao, Guozhong Arey, Bruce W. Li, Guosheng Liang, Shu-quan Liu, Jun TI Facile synthesized nanorod structured vanadium pentoxide for high-rate lithium batteries SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID ION BATTERIES; CATHODE MATERIALS; ELECTROCHEMICAL PROPERTIES; V2O5 AEROGEL; INTERCALATION; PERFORMANCE; COMPOSITES; ELECTRODES; NANOTUBES; TEMPLATES AB Nano-structured vanadium oxide (V(2)O(5)) is fabricated via a facile thermal-decomposition of vanadium precursor, vanadyl oxalate, which is produced by reacting micro-sized V(2)O(5) with oxalic acid. The V(2)O(5) nanoparticles produced by this method exhibit much better electrochemical performance than commercial micro-sized V(2)O(5). The optimized-nanorod electrodes give the best specific discharge capacities of 270 mAh g(-1) at C/2 (147 mA g(-1)) coupled with good cycle stability with only 0.32% fading per cycle. Even at a high rate of 4C (1176 mA g(-1)), the nanorod electrode still delivers 198 mAh g(-1). These results suggest that the well-separated V(2)O(5) nanorod is a good cathode material for high-rate lithium battery applications. C1 [Pan, Anqiang; Liang, Shu-quan] Cent S Univ, Dept Mat Sci & Engn, Changsha 410083, Peoples R China. [Pan, Anqiang; Zhang, Ji-Guang; Nie, Zimin; Arey, Bruce W.; Li, Guosheng; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Cao, Guozhong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Zhang, JG (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jiguang.zhang@pnl.gov; lsq@mail.csu.edu.cn; jun.liu@pnl.gov RI Cao, Guozhong/E-4799-2011 FU National Nature Science Foundation of China [50774097]; Creative Research Group of the National Natural Science Foundation of China [50721003]; Pacific Northwest National Laboratory (PNNL); DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152]; DOE [DE-AC05-76RL01830] FX We acknowledge the support from the National Nature Science Foundation of China (No. 50774097), the Creative Research Group of the National Natural Science Foundation of China (No. 50721003), and the Laboratory Directed Research and Development Program of Pacific Northwest National Laboratory (PNNL). The TEM work was performed at the Environmental Molecular Sciences Laboratory, a national scientific-user facility sponsored by the U.S. Department of Energy's (DOE's) Office of Biological and Environmental Research and located at PNNL with support from DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC020105-FWP12152. PNNL is operated by Battelle for DOE under Contract DE-AC05-76RL01830. We thank Drs. Deyu Wang, Jie Xiao and Wu Xu for their assistance in cell preparation and Dr Chongmin Wang for the discussion of TEM work. NR 36 TC 172 Z9 175 U1 15 U2 128 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 41 BP 9193 EP 9199 DI 10.1039/c0jm01306d PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 663GP UT WOS:000282871600031 ER PT J AU Gillaspie, DT Tenent, RC Dillon, AC AF Gillaspie, Dane T. Tenent, Robert C. Dillon, Anne C. TI Metal-oxide films for electrochromic applications: present technology and future directions SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; A-WO3-Y THIN-FILMS; NICKEL-OXIDE; TUNGSTEN-OXIDE; BATH DEPOSITION; SPRAY-PYROLYSIS; NIO FILMS; WO3; DEVICES; NANOPARTICLES AB Many transition metal-oxide films exhibit an electrochromic (EC) effect as they change their optical transmittance upon charge insertion or extraction. These materials may be integrated into multilayer devices, and the optical modulation is then produced by application of a small electrical voltage. Electrochromic films are therefore being developed for application in dynamic or "smart" windows that are at the forefront of emerging energy-saving advances in building technologies. Here we will describe the state-of-the-art technology that is being implemented in commercial applications. It predominantly relies on the use of tungsten oxide-based films (coloring with ion insertion) and nickel oxide-based films (coloring with ion extraction). We also suggest future research directions that are motivated by the need to reduce the production costs of large-area EC windows. Specifically, we describe the possibility of alternative less expensive manufacturing processes, as well as the development of flexible EC devices that allow for an inexpensive "retrofit" installation to existing structures. C1 [Gillaspie, Dane T.; Tenent, Robert C.; Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Dillon, AC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM anne.dillon@nrel.gov FU US Department of Energy through: DOE Office of Energy Efficiency and Renewable Energy Office of Building Technologies [E-AC36-08GO28308] FX We thank the US Department of Energy for funding under subcontract number DE-AC36-08GO28308 through: DOE Office of Energy Efficiency and Renewable Energy Office of Building Technologies Program. NR 52 TC 143 Z9 144 U1 14 U2 123 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 43 BP 9585 EP 9592 DI 10.1039/c0jm00604a PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 672QW UT WOS:000283603000002 ER PT J AU Chidambareswarapattar, C Larimore, Z Sotiriou-Leventis, C Mang, JT Leventis, N AF Chidambareswarapattar, Chakkaravarthy Larimore, Zachary Sotiriou-Leventis, Chariklia Mang, Joseph T. Leventis, Nicholas TI One-step room-temperature synthesis of fibrous polyimide aerogels from anhydrides and isocyanates and conversion to isomorphic carbons SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID X-RAY-SCATTERING; ORGANIC AEROGELS; FORMALDEHYDE AEROGELS; PERFORMANCE; SOLVENT; FILMS; WATER; DIISOCYANATE; CONDUCTIVITY; IMIDIZATION AB Monolithic polyimide aerogels (PI-ISOs) have been prepared by drying wet-gels synthesized via a rather underutilized room-temperature reaction of pyromellitic dianhydride (PMDA) with 4,4'-methylene diphenyl diisocyanate (MDI). The reaction is followed up to the gelation point by liquid (13)C-NMR in DMSO-d(6) and it proceeds through a seven-member ring intermediate that collapses to the imide by expelling CO(2). PI-ISOs are characterized comparatively with aerogels referred to as PI-AMNs, obtained via the classic reaction of PMDA and 4,4'-methylenedianiline (MDA). The two materials are chemically identical, they show similar degrees of crystallinity (30-45%, by XRD) and they both consist of similarly sized primary particles (6.1-7.5 nm, by SANS). By N(2)-sorption porosimetry they contain both meso- and macroporosity and they have similar BET surface areas (300-400 m(2) g(-1)). Their major difference, however, is that PI-AMNs are particulate while PI-ISOs are fibrous. The different morphology has been attributed to the rigidity of the seven-member ring intermediate of PI-ISOs. PI-AMNs shrink significantly during processing (up to 40% in linear dimensions), but mechanically are much stronger materials than PI-ISOs of the same density. Upon pyrolysis at 800 degrees C both PI-ISO and PI-AMN are converted to porous carbons; PI-AMNs loose their nanomorphology and more than 2/3 of their surface area, as opposed to PI-ISOs, which retain both. Etching with CO(2) at 1000 degrees C increases the BET surface area of both PI-AMN (to 417 m(2) g(-1)) and PI-ISO (to 1010 m(2) g(-1)), and improves the electrical conductivity of the latter by a factor of 70. C1 [Chidambareswarapattar, Chakkaravarthy; Larimore, Zachary; Sotiriou-Leventis, Chariklia; Leventis, Nicholas] Missouri Univ Sci & Technol, Dept Chem, Rolla, MO 65409 USA. [Mang, Joseph T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sotiriou-Leventis, C (reprint author), Missouri Univ Sci & Technol, Dept Chem, Rolla, MO 65409 USA. EM cslevent@mst.edu; jtmang@lanl.gov; leventis@mst.edu FU National Science Foundation [CHE-0809562, CMMI-0653919, DMR-0907291, DMR-0454672] FX We thank the National Science Foundation for financial support (CHE-0809562, CMMI-0653919 and DMR-0907291). We also acknowledge the Materials Research Center of Missouri S&T for support in sample characterization (SEM, XRD, and EDS). Solids NMR work was conducted at the University of Missouri Columbia by Dr Wei Wycoff. Finally, this work benefited from the use of the SANS instrument, LQD at the Manuel Lujan, Jr Neutron Scattering Center of the Los Alamos National Laboratory, supported by the DOE office of Basic Energy Sciences and utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-0454672. NR 68 TC 41 Z9 45 U1 14 U2 72 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PY 2010 VL 20 IS 43 BP 9666 EP 9678 DI 10.1039/c0jm01844a PG 13 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 672QW UT WOS:000283603000014 ER PT J AU Braun, A Augustynski, J Chandler, EA Mao, SS Miller, EL Turner, JA Ye, JH AF Braun, Artur Augustynski, Jan Chandler, Elaine A. Mao, Samuel S. Miller, Eric L. Turner, John A. Ye, Jinhua TI PHOTOCATALYSIS FOR ENERGY AND ENVIRONMENTAL SUSTAINABILITY Introduction SO JOURNAL OF MATERIALS RESEARCH LA English DT Editorial Material C1 [Braun, Artur] EMPA, Swiss Fed Labs Mat Testing & Res, Dept Adv Mat & Surfaces, CH-8600 Dubendorf, Switzerland. [Augustynski, Jan] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland. [Chandler, Elaine A.] Ernest Orlando Lawrence Berkeley Natl Lab, Helios Solar Energy Res Ctr, Berkeley, CA 94720 USA. [Mao, Samuel S.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Miller, Eric L.] Univ Hawaii Manoa, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. [Turner, John A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ye, Jinhua] Natl Inst Mat Sci, Photo Catalyt Mat Ctr, Tsukuba, Ibaraki 3050047, Japan. RP Braun, A (reprint author), EMPA, Swiss Fed Labs Mat Testing & Res, Dept Adv Mat & Surfaces, CH-8600 Dubendorf, Switzerland. RI xu, hua/L-8643-2013; YE, Jinhua/H-2755-2011; BRAUN, Artur/A-1154-2009 OI YE, Jinhua/0000-0002-8105-8903; BRAUN, Artur/0000-0002-6992-7774 NR 8 TC 2 Z9 2 U1 0 U2 17 PU MATERIALS RESEARCH SOC PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JAN PY 2010 VL 25 IS 1 SI SI BP 1 EP 2 DI 10.1557/JMR.2010.0038 PG 2 WC Materials Science, Multidisciplinary SC Materials Science GA 547BC UT WOS:000273858900001 ER PT J AU Chen, ZB Jaramillo, TF Deutsch, TG Kleiman-Shwarsctein, A Forman, AJ Gaillard, N Garland, R Takanabe, K Heske, C Sunkara, M McFarland, EW Domen, K Miller, EL Turner, JA Dinh, HN AF Chen, Zhebo Jaramillo, Thomas F. Deutsch, Todd G. Kleiman-Shwarsctein, Alan Forman, Arnold J. Gaillard, Nicolas Garland, Roxanne Takanabe, Kazuhiro Heske, Clemens Sunkara, Mahendra McFarland, Eric W. Domen, Kazunari Miller, Eric L. Turner, John A. Dinh, Huyen N. TI Accelerating materials development for photoelectrochemical hydrogen production: Standards for methods, definitions, and reporting protocols SO JOURNAL OF MATERIALS RESEARCH LA English DT Review ID OXIDE THIN-FILMS; SEMICONDUCTOR-ELECTROLYTE INTERFACE; DIFFUSE-REFLECTANCE MEASUREMENTS; OPTICAL-ABSORPTION; CUPROUS-OXIDE; SOLAR-ENERGY; BAND-GAP; AMORPHOUS-SEMICONDUCTORS; WATER; CU2O AB Photoelectrochemical (PEC) water splitting for hydrogen production is a promising technology that uses sunlight and water to produce renewable hydrogen with oxygen as a by-product. In the expanding field of PEC hydrogen production, the use of standardized screening methods and reporting has emerged as a necessity. This article is intended to provide guidance on key practices in characterization of PEC materials and proper reporting of efficiencies. Presented here are the definitions of various efficiency values that pertain to PEC, with an emphasis on the importance of solar-to-hydrogen efficiency, as well as a flow chart with standard procedures for PEC characterization techniques for planar photoelectrode materials (i.e., not suspensions of particles) with a focus on single band gap absorbers. These guidelines serve as a foundation and prelude to a much more complete and in-depth discussion of PEC techniques and procedures presented elsewhere. C1 [Chen, Zhebo; Jaramillo, Thomas F.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. [Deutsch, Todd G.; Turner, John A.; Dinh, Huyen N.] Natl Renewable Energy Lab, Hydrogen Technol & Syst Ctr, Golden, CO 80401 USA. [Kleiman-Shwarsctein, Alan; McFarland, Eric W.] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. [Forman, Arnold J.] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. [Gaillard, Nicolas; Miller, Eric L.] Univ Hawaii Manoa, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. [Garland, Roxanne] US DOE, Washington, DC 20585 USA. [Takanabe, Kazuhiro; Domen, Kazunari] Univ Tokyo, Dept Chem Syst Engn, Bunkyo Ku, Tokyo 1138656, Japan. [Heske, Clemens] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Sunkara, Mahendra] Univ Louisville, Dept Chem Engn, Louisville, KY 40292 USA. RP Jaramillo, TF (reprint author), Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. EM jaramillo@stanford.edu; Todd.Deutsch@nrel.gov; ngaillar@hawaii.edu; Huyen.Dinh@nrel.gov RI Chen, Zhebo/E-5771-2011; McFarland, Eric/G-1763-2014; Takanabe, Kazuhiro/D-6119-2011; Jaramillo, Thomas/C-4174-2014; Gaillard, Nicolas/M-3713-2016; OI Chen, Zhebo/0000-0002-8448-4211; Takanabe, Kazuhiro/0000-0001-5374-9451; Jaramillo, Thomas/0000-0001-9900-0622; Deutsch, Todd/0000-0001-6577-1226 FU U.S. DOE [RF-05-SHGR-004, DE-FG36-03GO13062, NFH-8-88502-01, NFT-9-88567-01, DE-AC36-08GO28308, DEFG36-05GO15040, DE-FG02-07ER46375]; National Science Foundation [0824484]; Global Climate Energy Program at Stanford University FX We thank the U.S. DOE for financial and organizational support to pursue this work through Subcontract No. RF-05-SHGR-004 (to C.H.) under Grant No. DE-FG36-03GO13062, Subcontract Nos. NFH-8-88502-01 (to C.H.) and NFT-9-88567-01 (to T.F.J.) under Prime Contract No. DE-AC36-08GO28308, and Award No. DEFG36-05GO15040 (to E.W.M.), and Grant No. DE-FG02-07ER46375 (to M.K.S.). T.F.J. also thanks the National Science Foundation under Grant No. 0824484 and the Global Climate Energy Program at Stanford University for support of this work. We thank Bruce Parkinson (University of Wyoming), Jennifer Leisch (National Renewable Energy Laboratory), Theanne Schiros (Columbia), David Peterson (Department of Energy), Ib Chorkendorff (Danish Technical University), Peter Vesborg (Danish Technical University), and Kendra Kuhl (Stanford) for helpful discussions. We also thank Julie Tuttle and Sarah Havig for their efforts in preparing this manuscript. NR 64 TC 397 Z9 398 U1 33 U2 370 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 EI 2044-5326 J9 J MATER RES JI J. Mater. Res. PD JAN PY 2010 VL 25 IS 1 SI SI BP 3 EP 16 DI 10.1557/JMR.2010.0020 PG 14 WC Materials Science, Multidisciplinary SC Materials Science GA 547BC UT WOS:000273858900002 ER PT J AU Gaillard, N Cole, B Kaneshiro, J Miller, EL Marsen, B Weinhardt, L Bar, M Heske, C Ahn, KS Yan, YF Al-Jassim, MM AF Gaillard, Nicolas Cole, Brian Kaneshiro, Jess Miller, Eric L. Marsen, Bjorn Weinhardt, Lothar Baer, Marcus Heske, Clemens Ahn, Kwang-Soon Yan, Yanfa Al-Jassim, Mowafak M. TI Improved current collection in WO3:Mo/WO3 bilayer photoelectrodes SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID TUNGSTEN TRIOXIDE FILMS; HYDROGEN-PRODUCTION; THIN-FILMS; WO3 FILMS; OXIDE; PROGRESS AB We report on the incorporation of molybdenum into tungsten oxide by co-sputtering and its effect on solar-powered photoelectrochemical (PEC) water splitting. Our study shows that Mo incorporation in the bulk of the film (WO3:Mo) results in poor PEC performance when compared with pure WO3, most likely due to defects that trap photo-generated charge carriers. However, when a WO3:Mo/WO3 bilayer electrode is used, a 20% increase of the photocurrent density at 1.6 V versus saturated calomel reference electrode is observed compared with pure WO3. Morphological and microstructurat analysis of the WO3:Mo/WO3 bilayer structure reveals that it is formed by coherent growth of the WO3:Mo top layer on the WO3 bottom layer. This effect allows an optimization of the electronic surface structure of the electrode while maintaining good crystallographic properties in the bulk. C1 [Gaillard, Nicolas; Cole, Brian; Kaneshiro, Jess; Miller, Eric L.] Univ Hawaii Manoa, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. [Marsen, Bjorn; Baer, Marcus] Helmholtz Zentrum Berlin Mat & Energie, D-14109 Berlin, Germany. [Weinhardt, Lothar; Baer, Marcus; Heske, Clemens] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Weinhardt, Lothar] Univ Wurzburg, D-97074 Wurzburg, Germany. [Ahn, Kwang-Soon; Yan, Yanfa; Al-Jassim, Mowafak M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Gaillard, N (reprint author), Univ Hawaii Manoa, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. EM ngaillar@hawaii.edu RI Marsen, Bjorn/D-4764-2009; Weinhardt, Lothar/G-1689-2013; Gaillard, Nicolas/M-3713-2016 OI Marsen, Bjorn/0000-0002-8304-0061; FU U.S. Department of Energy [DE-FC36-07GO17105, DE-FG36-03GO13062] FX This work was supported by the U.S. Department of Energy under Contract Nos. DE-FC36-07GO17105 and DE-FG36-03GO13062. We thank S. Asher and M. Young (National Renewable Energy Laboratory) for the SIMS analyses. We also thank T. Carvalho (University of Hawaii at Manoa) for valuable assistance during the SEM characterizations. NR 21 TC 22 Z9 22 U1 0 U2 25 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JAN PY 2010 VL 25 IS 1 SI SI BP 45 EP 51 DI 10.1557/JMR.2010.0019 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 547BC UT WOS:000273858900007 ER PT J AU Paulauskas, IE Jellison, GE Boatner, LA AF Paulauskas, Irene E. Jellison, Gerald E., Jr. Boatner, Lynn A. TI Photoelectrochemical properties of n-type KTaO3 single crystals in alkaline electrolytes SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID PARAMAGNETIC-RESONANCE; HYDROGEN GENERATION; TIO2 PARTICLES; GROWTH; WATER; PHOTOANODES AB Semiconducting KTaO3 single crystals were investigated as a model potential photoanode for hydrogen production using photoelectrochemical cells. To modify the electronic properties of KTaO3 by reducing the band gap and thereby increasing the absorption of light at longer wavelengths, the crystals were doped during growth. A wide range of dopant elements was used that consisted primarily of transition metal atoms. Most of the crystals exhibited n-type behavior with carrier concentrations from 4 x 10(18) to 2.6 x 10(20) cm(-3). The position of the band edges indicated that the crystals were thermodynamically capable of water dissociation. External quantum yield measurements revealed that the samples were photoactive up to a wavelength of similar to 350 nm. The indirect band gap and a parameter denoted as E-1 that is related to the direct band edge of the semiconductor, were found to be essentially the same for all of the samples. These results indicate that the various dopants and treatments did not produce changes in the KTaO3 electronic structure that were sufficient to significantly modify the behavior of KTaO3 in a PEC cell. C1 [Jellison, Gerald E., Jr.; Boatner, Lynn A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Paulauskas, Irene E.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Boatner, Lynn A.] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA. RP Jellison, GE (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM jellisongejr@ornl.gov RI Boatner, Lynn/I-6428-2013 OI Boatner, Lynn/0000-0002-0235-7594 FU Division of Materials Science and Engineering, Office of Basic Energy Sciences, United States Department of Energy [DE-AC05-00OR22725]; Oak Ridge National Laboratory FX This research was sponsored by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, United States Department of Energy, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. The authors acknowledge, with thanks, the contributions of J.O. Ramey, J.A. Kolopus, and L.R. Walker to various aspects of this work. NR 22 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 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JAN PY 2010 VL 25 IS 1 SI SI BP 52 EP 62 DI 10.1557/JMR.2010.0001 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA 547BC UT WOS:000273858900008 ER PT J AU Shet, S Ahn, KS Deutsch, T Wang, HL Ravindra, N Yan, YF Turner, J Al-Jassim, M AF Shet, Sudhakar Ahn, Kwang-Soon Deutsch, Todd Wang, Heli Ravindra, Nuggehalli Yan, Yanfa Turner, John Al-Jassim, Mowafak TI Synthesis and characterization of band gap-reduced ZnO:N and ZnO:(Al,N) films for photoelectrochemical water splitting SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID P-TYPE ZNO; THIN-FILMS; OPTICAL-PROPERTIES; CELLS; PHOTOCATALYSIS; CONDUCTION; HYDROGEN AB ZnO thin films with significantly reduced band gaps were synthesized by doping N and codoping Al and N at 100 degrees C. All the films were synthesized by radiofrequency magnetron sputtering on F-doped tin-oxide-coated glass. We found that codoped ZnO:(Al,N) thin films exhibited significantly enhanced crystallinity compared with ZnO doped solely with N, ZnO:N, at the same growth conditions. Furthermore, annealed ZnO:(Al,N) thin films exhibited enhanced N incorporation over ZnO:N films. As a result, ZnO:(Al,N) films exhibited better photocurrents than ZnO:N films grown with pure N doping, suggesting that charge-compensated donor-acceptor codoping could be a potential method for band gap reduction of wide-band gap oxide materials to improve their photoelectrochemical performance. C1 [Shet, Sudhakar; Deutsch, Todd; Wang, Heli; Yan, Yanfa; Turner, John] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Shet, Sudhakar; Ravindra, Nuggehalli] New Jersey Inst Technol, Newark, NJ 07102 USA. [Ahn, Kwang-Soon] Samsung Adv Inst Technol, Energy & Environm Lab, Yongin 446712, Gyeonggi Do, South Korea. RP Shet, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM sudhakar.shet@nrel.gov; yanfa.yan@nrel.gov OI Deutsch, Todd/0000-0001-6577-1226 FU U.S. Department of Energy [DE-AC36-08GO28308] FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. NR 29 TC 36 Z9 37 U1 8 U2 44 PU MATERIALS RESEARCH SOC PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JAN PY 2010 VL 25 IS 1 SI SI BP 69 EP 75 DI 10.1557/JMR.2010.0017 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 547BC UT WOS:000273858900010 ER PT J AU Hansel, R Allison, S Walker, G AF Hansel, Rachael Allison, Steve Walker, Greg TI Temperature-dependent luminescence of gallium-substituted YAG:Ce SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID OPTICAL-PROPERTIES; THERMOMETRY; PHOSPHORS; CE AB The temperature-dependent lifetime of trivalent cerium was determined in (Y(1-x) Ce (x) )(3)Al(2.5)Ga(2.5)O(12) (where x = 0.1 and 0.2) over a temperature range of 20-120 A degrees C. In both samples, the quenching temperature is significantly lower compared to (Y(1-x) Ce (x) )(3)Al(5)O(12). The difference in quenching temperatures is explained by evaluating the changes in the lattice, which occur as a result of substituting the Al(3+) for Ga(3+). The information presented in this report is useful for future design of phosphors for use as non-contact temperature sensors. C1 [Hansel, Rachael; Walker, Greg] Vanderbilt Univ, Nashville, TN 37212 USA. [Allison, Steve] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hansel, R (reprint author), Vanderbilt Univ, Nashville, TN 37212 USA. EM rachael.a.hansel@vanderbilt.edu RI Walker, Don/B-3718-2012 OI Walker, Don/0000-0002-6061-048X NR 13 TC 23 Z9 23 U1 2 U2 25 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD JAN PY 2010 VL 45 IS 1 BP 146 EP 150 DI 10.1007/s10853-009-3906-9 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 534NP UT WOS:000272904700018 ER PT J AU Ma, BH Narayanan, M Tong, S Balachandran, U AF Ma, Beihai Narayanan, Manoj Tong, Sheng Balachandran, U. TI Fabrication and characterization of ferroelectric PLZT film capacitors on metallic substrates SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID TITANATE THIN-FILMS; DIELECTRIC-PROPERTIES; FOILS AB We have grown ferroelectric Pb(0.92)La(0.08)Zr(0.52)Ti(0.48)O(3) (PLZT) films on Hastelloy C276 (HC) substrates by chemical solution deposition. Samples of 1.15-mu m-thick PLZT films were prepared on HC with and without lanthanum nickel oxide (LNO) films as an intermediate buffer layer. On samples with and without LNO buffers at room temperature, we measured dielectric constants of a parts per thousand 1,300 and a parts per thousand 450 and loss tangents of a parts per thousand 0.06 and a parts per thousand 0.07, respectively. For PLZT films grown on HC with LNO buffer, the dielectric constant increases, while the dielectric loss decreases, with increasing temperature. A dielectric constant of a parts per thousand 2,000 and loss of a parts per thousand 0.05 were observed at 150 A degrees C. Samples with LNO buffer also exhibited slimmer hysteresis loops and lower leakage current density when compared to samples without LNO buffer. The following results were measured on samples with and without LNO buffers: remanent polarization (P (r)) values of 21.3 and 36.4 mu C/cm(2), coercive electric field (E (c)) values of 41 and 173 kV/cm, and leakage current densities of a parts per thousand 1.1 x 10(-8) and a parts per thousand 1.6 x 10(-7) A/cm(2), respectively. The energy storage capability was measured at a parts per thousand 65 J/cm(3) for the PLZT film-on-foil capacitor deposited on HC with LNO buffer. C1 [Ma, Beihai; Narayanan, Manoj; Tong, Sheng; Balachandran, U.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Ma, BH (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bma@anl.gov RI Tong, Sheng/A-2129-2011; Narayanan, Manoj/A-4622-2011; Ma, Beihai/I-1674-2013 OI Tong, Sheng/0000-0003-0355-7368; Ma, Beihai/0000-0003-3557-2773 FU U.S. Department of Energy [DE-AC02-06CH11357]; Electron Microscopy Center (EMC) at Argonne National Laboratory FX This work was funded by the U.S. Department of Energy, Office of Vehicle Technologies Program, under Contract DE-AC02-06CH11357. This work benefited from the use of the Electron Microscopy Center (EMC) at Argonne National Laboratory. The authors would like to thank Dr. R. E. Koritala at EMC for her help with scanning electron microscopy. Authors also like to thank Dr. Selvamanickam at IGC-SuperPower for providing HC substrates. NR 21 TC 6 Z9 6 U1 2 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD JAN PY 2010 VL 45 IS 1 BP 151 EP 157 DI 10.1007/s10853-009-3910-0 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 534NP UT WOS:000272904700019 ER PT J AU Du, L Edgar, JH Kenik, EA Meyer, H AF Du, Li Edgar, J. H. Kenik, Edward A. Meyer, Harry, III TI Sublimation growth of titanium nitride crystals SO JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS LA English DT Article ID TRANSPORT; CHEMISTRY; FILMS; TIN AB The sublimation-recondensation growth of titanium nitride crystals with N/Ti ratio of 0.99 on tungsten substrates is reported. The growth rate dependence on temperature and pressure was determined, and the calculated activation energy was 775.8 +/- A 29.8 kJ/mol. The lateral and vertical growth rates changed with the time of growth and the fraction of the tungsten substrate surface covered. The orientation relationship of TiN (001) || W (001) with TiN [100] || W [110], a 45A degrees angle between TiN [100] and W [100], occurs not only for TiN crystals deposited on (001) textured tungsten but also for TiN crystals deposited on randomly orientated tungsten. This study demonstrates that this preferred orientational relationship minimizes the lattice mismatch between the TiN and tungsten. C1 [Du, Li; Edgar, J. H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA. [Kenik, Edward A.; Meyer, Harry, III] Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Edgar, JH (reprint author), Kansas State Univ, Dept Chem Engn, Durland Hall, Manhattan, KS 66506 USA. EM edgarjh@ksu.edu FU NSF [DMR 0408874]; Division of Scientific User Facilities, Office of Science, U.S. Department of Energy [DE-AC05-00OR22725]; Assistant Secretary for Energy Efficiency and Renewable Energy; Office of FreedomCAR; Vehicle Technologies FX The support of the NSF through the grants DMR 0408874 is greatly appreciated. EBSD analysis was conducted at the Oak Ridge National Laboratory SHaRE User Facility, which is sponsored by the Division of Scientific User Facilities, Office of Science, U.S. Department of Energy. Auger Electron Spectroscopy was sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle Technologies, as part of the Oak Ridge National Laboratory High Temperature Materials Laboratory User Program, managed by UT-Battelle, LLC, for the U. S. Department of Energy under contract number DE-AC05-00OR22725. NR 20 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0957-4522 J9 J MATER SCI-MATER EL JI J. Mater. Sci.-Mater. Electron. PD JAN PY 2010 VL 21 IS 1 BP 78 EP 87 DI 10.1007/s10854-009-9873-8 PG 10 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA 534RT UT WOS:000272915700012 ER PT J AU Berrah, N Bozek, J Costello, JT Dusterer, S Fang, L Feldhaus, J Fukuzawa, H Hoener, M Jiang, YH Johnsson, P Kennedy, ET Meyer, M Moshammer, R Radcliffe, P Richter, M Rouzee, A Rudenko, A Sorokin, AA Tiedtke, K Ueda, K Ullrich, J Vrakking, MJJ AF Berrah, N. Bozek, J. Costello, J. T. Duesterer, S. Fang, L. Feldhaus, J. Fukuzawa, H. Hoener, M. Jiang, Y. H. Johnsson, P. Kennedy, E. T. Meyer, M. Moshammer, R. Radcliffe, P. Richter, M. Rouzee, A. Rudenko, A. Sorokin, A. A. Tiedtke, K. Ueda, K. Ullrich, J. Vrakking, M. J. J. TI Non-linear processes in the interaction of atoms and molecules with intense EUV and X-ray fields from SASE free electron lasers (FELs) SO JOURNAL OF MODERN OPTICS LA English DT Review DE free electron lasers; FLASH; LCLS; SCSS Test Accelerator; extreme-ultraviolet; X-rays; atoms; molecules; multiphotons; ionization; dissociation; photoelectrons; photoions; pump-probes ID EXTREME-ULTRAVIOLET; AUTOIONIZING STATES; DOUBLE-IONIZATION; 1ST OBSERVATION; NM WAVELENGTH; RADIATION; PULSES; LOCALIZATION; DIFFRACTION; DYNAMICS AB The advent of free electron laser (FEL) facilities capable of delivering high intensity pulses in the extreme-UV to X-ray spectral range has opened up a wide vista of opportunities to study and control light matter interactions in hitherto unexplored parameter regimes. In particular, current short wavelength FELs can uniquely drive non-linear processes mediated by inner shell electrons and in fields where the photon energy can be as high as 10 keV and so the corresponding optical period reaches below one attosecond. Combined with ultrafast optical lasers, or simply employing wavefront division, pump probe experiments can be performed with femtosecond time resolution. As single photon ionization of atoms and molecules is by now very well understood, they provide the ideal targets for early experiments by which not only FELs can be characterised and benchmarked but can also be the natural departure point in the hunt for non-linear behaviour of atomistic systems bathed in laser fields of ultrahigh photon energy. In this topical review we illustrate with specific examples the gamut of apposite experiments in atomic, molecular physics currently underway at the SCSS Test Accelerator (Japan), FLASH (Hamburg) and LCLS (Stanford). C1 [Costello, J. T.; Kennedy, E. T.] Dublin City Univ, Sch Phys Sci, Dublin 9, Ireland. [Costello, J. T.; Kennedy, E. T.] Dublin City Univ, NCPST, Dublin 9, Ireland. [Berrah, N.; Fang, L.; Hoener, M.] Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. [Bozek, J.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. [Duesterer, S.; Feldhaus, J.; Radcliffe, P.; Sorokin, A. A.; Tiedtke, K.] HASYLAB, DESY, D-22607 Hamburg, Germany. [Fukuzawa, H.; Ueda, K.] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan. [Jiang, Y. H.; Moshammer, R.; Ullrich, J.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Johnsson, P.; Rouzee, A.; Vrakking, M. J. J.] AMOLF, Inst Atom & Mol Phys, Amsterdam, Netherlands. [Meyer, M.] Ctr Univ Paris Sud, LIXAM, CNRS, UMR 8624, F-91405 Orsay, France. [Richter, M.] Phys Tech Bundesanstalt, D-10587 Berlin, Germany. [Rudenko, A.; Ullrich, J.] CFEL, Max Planck Adv Study Grp, D-22607 Hamburg, Germany. [Sorokin, A. A.] AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. [Vrakking, M. J. J.] Max Born Inst Nonlinear Opt & Short Pulse Spect, D-12489 Berlin, Germany. RP Costello, JT (reprint author), Dublin City Univ, Sch Phys Sci, Dublin 9, Ireland. EM john.costello@dcu.ie RI Richter, Mathias/A-2995-2011; Johnsson, Per/A-5191-2010; Bozek, John/E-9260-2010; Rudenko, Artem/C-7412-2009; Feldhaus, Josef/C-1130-2014; OI Johnsson, Per/0000-0003-2135-0248; Bozek, John/0000-0001-7486-7238; Rudenko, Artem/0000-0002-9154-8463; Costello, John/0000-0003-4677-9999 FU Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT); Max-Planck Initiative FX KU and HF acknowledge the support for the X-ray Free Electron Laser Utilization Research Project of the Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). MR, AS and KT wish to thank Sergey V. Bobashev (Ioffe Institute, St. Petersburg), Bernd Sonntag (University of Hamburg) and Miron Ya. Amusia (Ioffe Institute, St. Petersburg and Hebrew University, Jerusalem) for helpful discussions and Torsten Feigl of IOF (Jena) for the multilayer mirror. Work funded under DFG project no. RI 804/5-1. The work of JU, RM, AR and YHJ was supported by the Max-Planck Initiative DESY FEL (MIDFEL) and the Max-Planck Advanced Study Group (ASG) at the Center for Free Electron Laser Science (CFEL) at Hamburg. They are grateful to A. Belkacem and LBNL staff, J. Verhoeven from AMOLF as well as E. Louis and F. Bijkerk (FOM) for designing and providing the multilayer mirror. The work would not have been possible without the sustained and enthusiastic support by the DESY accelerator team and beam line scientists, especially R. Treusch. YHJ acknowledges support from DFG Project No. JI 110/2-1, E. P, J. F. P. T. We thank our collaborators from the University of Frankfurt, MPQ Garching, Tohoku University Sendai, GANIL, University of Crete, University of Missouri Rolla and KSU. Finally, we appreciated theoretical help from F. Martin, A. Voitkiv, A. Kheifets, B. McCurdy, J. Feist, J. Burgdorfer, S. Fritzsche, N. Kabachnik as well as discussions with P. Lambropoulos, R. Shakeshaft, B. Piraux, K. Bartschat and many others. The work of JC, MM and ETK is supported variously by the Ulysses France-Ireland programme, EU COST Action MP0601, Science Foundation Ireland (Grant Nos. PHY041 and 07/IN. 1/I1771) and the HEA PTRLI 4-INSPIRE programme. They would also like to acknowledge the contributions of many graduate students and postdoctoral fellows and especially collaborators, D. Cubaynes (LIXAM, Orsay), A. Maquet, E. Taieb (LCPMR, Paris) and A. Grum-Grzhimailo (Moscow State University). PJ acknowledges support from the Swedish Research Council. The work of AR, PJ and MV was part of the research program of the 'Stichting voor Fundamenteel Onderzoek der Materie (FOM)', which is financially supported by the 'Nederlandse organisatie voor Wetenschappelijk Onderzoek (NWO)'. AR, PJ and MV also acknowledge travel support from the European Community under Contract RII3-CT-2004-506008 (IA-SFS). NB, LF and MH would like to acknowledge support from DOE-SC-BES, Chemical Sciences, Geosciences, Biosciences Division. MH thanks the Humboldt Foundation for his Feodor Lynen Fellowship. NB thanks collaborating institutes and laboratories including Lawrence Berkeley National Laboratory, Argonne National Laboratory, University of California-Berkeley, SLAC-PULSE Institute, LCLS, Hamburg-CFEL, Ohio State University and University of Texas. NR 113 TC 78 Z9 80 U1 4 U2 57 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0950-0340 J9 J MOD OPTIC JI J. Mod. Opt. PY 2010 VL 57 IS 12 BP 1015 EP 1040 AR PII 923375220 DI 10.1080/09500340.2010.487946 PG 26 WC Optics SC Optics GA 640VP UT WOS:000281082400001 ER PT J AU Flaud, JM Lafferty, WJ Sams, R Devi, VM AF Flaud, J. -M. Lafferty, W. J. Sams, Robert Devi, V. Malathy TI High resolution analysis of the ethylene-1-C-13 spectrum in the 8.4-14.3-mu m region SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE Infrared spectrum; Coriolis resonance; Mono C-13; Line assignment AB Fourier transform spectra of mono-C-13 ethylene have been recorded in the 8.4-14.3-mu m spectral region (700-1190 cm(-1)) using a Bruker 120 HR interferometer at a resolution of 0.0017 cm(-1) allowing the extensive study of the set of resonating states {10(1), 8(1), 7(1), 4(1), 6(1)). Due to the high resolution available as well as the extended spectral range involved in this study, a much larger set of line assignments are now available. The present analysis has lead to the determination of more accurate spectroscopic constants, including interaction constants, than were obtained in earlier studies. In particular, the following band centers were derived: v(0)(v(10))=825.40602(30)cm(-1), v(0)(v(8)) = 932.19572(15)cm(-1), v(0)(v(7)) = 937.44452(10) cm(-1), v(0)(v(4)) = 1025.6976(14) cm(-1). Finally a synthetic spectrum was generated leading to the assignment of a number of (CCH4)-C-13-C-12 lines observed in an earlier heterodyne spectroscopic study. Published by Elsevier Inc. C1 [Lafferty, W. J.] Natl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA. [Flaud, J. -M.] Univ Paris Est, CNRS, Lab Interuniv Syst Atmospher, UMR 7583, F-94010 Creteil, France. [Flaud, J. -M.] Univ Paris 07, CNRS, Lab Interuniv Syst Atmospher, UMR 7583, F-94010 Creteil, France. [Sams, Robert] Pacific NW Natl Lab, Richland, WA 99352 USA. [Devi, V. Malathy] Coll William & Mary, Williamsburg, VA 23187 USA. RP Lafferty, WJ (reprint author), Natl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA. EM walter.lafferty@nist.gov FU NASA; Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory FX The portion of this work which was carried out in the Optical Technology Division at NIST was supported by the Upper Atmospheric Research Program of NASA. One of the authors (J.M.F.) thanks the Optical Technology Division for support during a stay at NIST. The experimental part was performed at the W.R. Wiley Environmental Molecular Science Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated for the United States Department of Energy by Battelle under contract DE-AC05-76RLO 1830. NR 8 TC 12 Z9 12 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 0022-2852 J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD JAN PY 2010 VL 259 IS 1 BP 39 EP 45 DI 10.1016/j.jms.2009.10.003 PG 7 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 548MM UT WOS:000273967300006 ER PT J AU Gao, J Wang, HL Iyer, R AF Gao, Jun Wang, Hsing-Lin Iyer, Rashi TI Suppression of Proinflammatory Cytokines in Functionalized Fullerene-Exposed Dermal Keratinocytes SO JOURNAL OF NANOMATERIALS LA English DT Article ID MONOCYTE CHEMOATTRACTANT PROTEIN-1; EPIDERMAL-KERATINOCYTES; BIOLOGICAL APPLICATIONS; HIV-1 PROTEASE; EXPRESSION; FAMILY; CELLS; SKIN; INFLAMMATION; DERIVATIVES AB Initial experiments using differentially functionalized fullerenes, CD-C-60, hexa-C-60, and tris-C-60, suggested a properties dependent effect on cytotoxic and proliferative responses in human skin keratinocytes. In the present study we investigated the cytokine secretion profile of dermal epithelial cells exposed to functionalized fullerenes. Keratinocyte-derived cytokines affect homing and trafficking of normal and malignant epidermal immune as well as nonimmune cells in vivo. These cytokines are critical for regulating activation, proliferation, and differentiation of epidermal cells. Our results indicate that tris-C-60 (size range < 100 nm) significantly reduces inflammatory cytokine release in a dose- and time-dependent manner. In contrast CD-C-60 demonstrated a relatively pro-inflammatory cytokine response, while hexa-C-60 did not significantly perturb cytokine responses. Physical and chemical characterizations of these engineered nanomaterials suggest that the disparate biological responses observed may potentially be a function of the aggregation properties of these fullerenes. C1 [Gao, Jun; Iyer, Rashi] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Iyer, R (reprint author), Los Alamos Natl Lab, Biosci Div, M888,TA 43,HRL-2, Los Alamos, NM 87545 USA. EM rashi@lanl.gov FU Los Alamos National Laboratory, LDRD-DR program; Center for Integrated Nanotechnologies, a U. S. Department of Energy, Office of Basic Energy Sciences user facility, Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratory [DE-AC04-94AL85000] FX This work was supported by Los Alamos National Laboratory, LDRD-DR program. 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 (Contract DE-AC52-06NA25396), and Sandia National Laboratory (Contract DE-AC04-94AL85000). The authors thank Gabriel A. Montano and Jennifer Martinez for their assistance with the physical characterization of the fullerenes. NR 34 TC 1 Z9 1 U1 0 U2 2 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-4110 EI 1687-4129 J9 J NANOMATER JI J. Nanomater. PY 2010 AR 416408 DI 10.1155/2010/416408 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 578OD UT WOS:000276302200001 ER PT J AU Lu, J Xiao, ZL Lin, QY Claus, H Fang, ZZ AF Lu, Jun Xiao, Zhili Lin, Qiyin Claus, Helmut Fang, Zhigang Zak TI Low-Temperature Synthesis of Superconducting Nanocrystalline MgB2 SO JOURNAL OF NANOMATERIALS LA English DT Article ID WIRES AB Magnesium diboride (MgB2) is considered a promising material for practical application in superconducting devices, with a transition temperature near 40 K. In the present paper, nanocrystalline MgB2 with an average particle size of approximately 70 nm is synthesized by reacting LiBH4 with MgH2 at temperatures as low as 450 degrees C. This synthesis approach successfully bypasses the usage of either elemental boron or toxic diborane gas. The superconductivity of the nanostructures is confirmed by magnetization measurements, showing a superconducting critical temperature of 38.7 K. C1 [Lu, Jun; Xiao, Zhili] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Lu, Jun; Xiao, Zhili; Lin, Qiyin; Claus, Helmut] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Fang, Zhigang Zak] Univ Utah, Dept Met Engn, Salt Lake City, UT 84112 USA. RP Xiao, ZL (reprint author), No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. EM xiao@anl.gov FU US Department of Energy [DE-FG02-06ER46334]; DOE BES [DE-AC02-06CH11357] FX This work is supported by the US Department of Energy under Grant no. DE-FG02-06ER46334. The SEM and TEM analysis was performed at Argonne's Electron Microscopy Center (EMC) which is supported by DOE BES under contract no. DE-AC02-06CH11357. NR 16 TC 5 Z9 5 U1 3 U2 13 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-4110 J9 J NANOMATER JI J. Nanomater. PY 2010 AR 191058 DI 10.1155/2010/191058 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 760LO UT WOS:000290326000001 ER PT J AU Eckert, J Trouw, FR Mojet, B Forster, P Lobo, R AF Eckert, Juergen Trouw, Frans R. Mojet, Barbara Forster, Paul Lobo, Raul TI Interaction of Hydrogen with Extraframework Cations in Zeolite Hosts Probed by Inelastic Neutron Scattering Spectroscopy SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE Zeolites; Hydrogen; Neutron Scattering ID METAL-ORGANIC FRAMEWORKS; ELECTRON-SPIN-ECHO; MOLECULAR-HYDROGEN; LOW-TEMPERATURE; CRYSTAL-STRUCTURE; POWDER DIFFRACTION; CARBON NANOTUBES; NMR-SPECTROSCOPY; A2 MOLECULES; Y-ZEOLITES AB The hindered rotations of molecular hydrogen adsorbed at low loadings into a number of partially ion-exchanged zeolites A, Y and X have been studied at low temperatures with the use of inelastic neutron scattering (INS) techniques. The factors that determine the sorption sites and strength of the interaction with the host material are found to be a complex combination of the type, charge and size of the cations, their coordination to the host framework, and accessibility to the hydrogen molecule as well as the relative acidity of the framework, and lead to important criteria for the development of more effective hybrid materials for hydrogen storage. The highest barriers to rotation were found for the undercoordinated, exposed Li(+) cations in LiA and in LiX. Interaction with the extra framework Cu(2+) and Zn(2+) cations in zeolite A is found to be noticeably stronger than with the neutral Zn- or Cu- containing clusters in metal-organic framework compounds. Our observation that binding of hydrogen in these charged frameworks is strongly enhanced relative to those that are neutral suggests an important approach to improvement of porous materials as ambient temperature hydrogen storage media. C1 [Eckert, Juergen] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. [Trouw, Frans R.] Los Alamos Natl Lab, LANSCE LC, Los Alamos, NM 87545 USA. [Mojet, Barbara] Univ Twente, Fac Sci & Technol, NL-7500 AE Enschede, Netherlands. [Forster, Paul] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Lobo, Raul] Univ Delaware, Dept Chem Engn, Newark, DE 19711 USA. RP Eckert, J (reprint author), Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. RI Lujan Center, LANL/G-4896-2012; OI Forster, Paul/0000-0003-3319-4238 FU Office of Basic Energy Sciences; US Department of Energy FX We would like to extend special thanks to Prof. Amy Bug for generously sharing the results of her simulations with us and for extensive discussions, and Dr. J. M. Nicol for assistance with some of the data collection. We would also like to thank the Institut Laue-Langevin and the National Center for Neutron Research for the use of their facilities. Work at ANL and at LANL was supported by the Office of Basic Energy Sciences, US Department of Energy. NR 81 TC 7 Z9 7 U1 1 U2 8 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD JAN PY 2010 VL 10 IS 1 BP 49 EP 59 DI 10.1166/jnn.2010.1504 PG 11 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 527TF UT WOS:000272388700005 PM 20352810 ER PT J AU Im, HJ Pawel, MD Brown, SS Dai, S AF Im, Hee-Jung Pawel, Michelle D. Brown, Suree S. Dai, Sheng TI Potential Application of Fabricated Sulfide-Based Scintillation Materials for Radiation Detection SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE ZnS(Ag)/(6)Li; Scintillator; Sol-Gel; Radiation Detector; Chemical Bath Deposition (CBD); Nano-Particle ID CHEMICAL BATH DEPOSITION; THIN-FILMS; NEUTRON SCINTILLATORS; PARTICLES; CLUSTERS; STATE AB In our laboratories, we have produced ZnS(Ag)/(6)Li sol-gel scintillation materials which produce an excellent light output with an alpha radiation (compared to commercial high temperature lithiated glass; KG-2 and a plastic scintillator; BC-400). However, when tested with a neutron radiation, the opacity of the ZnS(Ag)/(6)Li sol-gel scintillation materials, which were composed of a homogeneous micron-sized ZnS(Ag), prevented a clear neutron energy peak formation, thus making it difficult to set a threshold for neutron-gamma discrimination. In an effort to increase the transparency of the scintillation materials and to develop new technologies to fabricate sulfide-based scintillation materials for neutron detection, we turned to the methods of a chemical bath deposition (CBD) and a nano-particle synthesis for possible solutions. C1 [Im, Hee-Jung; Pawel, Michelle D.; Brown, Suree S.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Im, HJ (reprint author), Korea Atom Energy Res Inst, Nucl Chem Res Div, 150 Deokjin Dong, Taejon 305353, South Korea. RI Pawel, Michelle/Q-2729-2015; Dai, Sheng/K-8411-2015 OI Pawel, Michelle/0000-0003-0244-6703; Dai, Sheng/0000-0002-8046-3931 FU Korea Atomic Energy Research Institute [79001-08]; U.S. DOE [NA-22] FX H.-J. Im thanks the Korea Atomic Energy Research Institute for partial financial support (79001-08), and Sheng Dai would like to thank U.S. DOE NA-22 for supporting his research on scintillation materials. NR 18 TC 4 Z9 4 U1 3 U2 10 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD JAN PY 2010 VL 10 IS 1 BP 170 EP 174 DI 10.1166/jnn.2010.1519 PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 527TF UT WOS:000272388700023 PM 20352828 ER PT J AU Kim, JW Byun, TS AF Kim, Jin Weon Byun, Thak Sang TI Analysis of tensile deformation and failure in austenitic stainless steels: Part I - Temperature dependence SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID TRUE STRESS; PLASTIC INSTABILITY; STRAIN; IRRADIATION; NECKING; METALS; BEHAVIOR; ONSET AB This paper describes the temperature dependence of deformation and failure behaviors in the austenitic stainless steels (annealed 304, 316, 316LN, and 20% cold-worked 316LN) in terms of equivalent true stress-true strain curves. The true stress-true strain curves up to the final fracture were calculated from tensile test data obtained at -150 to 450 degrees C using an iterative finite element method. Analysis was largely focused on the necking and fracture: key parameters such as the strain hardening rate, equivalent fracture stress, fracture strain, and tensile fracture energy were evaluated, and their temperature dependencies were investigated. It was shown that a significantly high strain hardening rate was retained during unstable deformation although overall strain hardening rate beyond the onset of necking was lower than that of the uniform deformation. The fracture stress and energy decreased with temperature up to 200 degrees C and were nearly Saturated as the temperature came close to the maximum test temperature 450 degrees C. The fracture strain had a maximum at -50 to 20 degrees C before decreasing with temperature. It was explained that these temperature dependencies of fracture properties were associated with a change in the dominant strain hardening mechanism with test temperature. Also, it was seen that the pre-straining of material has little effect on the strain hardening rate during necking deformation and on fracture properties. Published by Elsevier B.V. C1 [Byun, Thak Sang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Kim, Jin Weon] Chosun Univ, Dept Nucl Engn, Kwangju 501759, South Korea. RP Byun, TS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008,MS 6138, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov FU Chosun University in Korea; US Department of Energy, Offices of Fusion Energy Sciences and Basic Energy Science [DE-AC05-00OR22725] FX This study was supported by the research funds of Chosun University in Korea and was a continuation of the earlier studies sponsored by US Department of Energy, Offices of Fusion Energy Sciences and Basic Energy Science, under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors express special thanks to Drs. John G. Merkle and C.S. Shin for their technical reviews and thoughtful comments. NR 24 TC 11 Z9 12 U1 1 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD JAN 1 PY 2010 VL 396 IS 1 BP 1 EP 9 DI 10.1016/j.jnucmat.2009.08.010 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 550GC UT WOS:000274115300001 ER PT J AU Kim, JW Byun, TS AF Kim, Jin Weon Byun, Thak Sang TI Analysis of tensile deformation and failure in austenitic stainless steels: Part II - Irradiation dose dependence SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID LOW-TEMPERATURE IRRADIATION; TARGET CONTAINER MATERIALS; PLASTIC INSTABILITY; NEUTRON-IRRADIATION; METALS; PROTON; NECKING; SINQ AB Irradiation effects on the stable and unstable deformation and fracture behavior of austenitic stainless steels (SSs) have been studied in detail based on the equivalent true stress versus true strain curves. An iterative finite element simulation technique was used to obtain the equivalent true stress-true strain data from experimental tensile curves. The simulation result showed that the austenitic stainless steels retained high strain hardening rate during unstable deformation even after significant irradiation. The strain hardening rate was independent of irradiation dose up to the initiation of a localized necking. Similarly, the equivalent fracture stress was nearly independent of dose before the damage (embrittlement) mechanism changed. The fracture strain and tensile fracture energy decreased with dose mostly in the low dose range 420 nm) only. The effect of removing surfactant caps from the CdSe QDs by annealing and using a hydrazine chemical treatment have also been investigated. The photocatalytic reduction process is followed using infrared spectroscopy to probe the gas. phase reactants and gas chromatography to detect the products. Gas chromatographic analysis shows that the primary reaction product is CH4, with CH3OH, H-2, and CO observed as secondary products. Typical yields of the gas-phase products after visible light illumination (lambda > 420 nm) were 48 ppm g(-1) h(-1) of CH4, 3.3 ppm g(-1) h(-1) of CH3OH (vapor), and trace amounts of CO and H-2. C1 [Wang, Congjun; Thompson, Robert L.; Baltrus, John; Matranga, Christopher] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Wang, Congjun; Thompson, Robert L.] Parsons Project Serv Inc, Pittsburgh, PA 15219 USA. RP Wang, CJ (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM congjun.wang@pp.netl.doe.gov RI Wang, Congjun/A-9608-2010; Matranga, Christopher/E-4741-2015 OI Matranga, Christopher/0000-0001-7082-5938 FU National Energy Technology Laboratory FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing. research in Advanced Materials for CO2 Capture and Conversion for NETL's Carbon Sequestration Program under the RDS Contract DE-AC26-04NT41817. Reference in this work to any specific commercial product is to facilitate understanding and does not necessarily imply endorsement by the U.S. Department of Energy. We thank Paul Zandhuis for technical assistance with the GC experiments. NR 45 TC 172 Z9 178 U1 12 U2 174 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD JAN PY 2010 VL 1 IS 1 BP 48 EP 53 DI 10.1021/jz9000032 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 586KD UT WOS:000276905600012 ER PT J AU Porcar, L Falus, P Chen, WR Faraone, A Fratini, E Hong, KL Baglioni, P Liu, Y AF Porcar, Lionel Falus, Peter Chen, Wei-Ren Faraone, Antonio Fratini, Emiliano Hong, Kunlun Baglioni, Piero Liu, Yun TI Formation of the Dynamic Clusters in Concentrated Lysozyme Protein Solutions SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID SELF-DIFFUSION COEFFICIENTS; HIGH-FREQUENCY VISCOSITY; EQUILIBRIUM CLUSTERS; NEUTRON-SCATTERING; DISPERSIONS; SUSPENSIONS; PARTICLES; COLLOIDS; PHASE AB Neutron spin echo (NSE) and small angle neutron scattering (SANS) were used to investigate the correlation between structure and short-time dynamics of lysozyme solutions in the presence of protein clusters as previously reported. It was found that, upon increasing protein concentration, the. self-diffusion coefficient at the short time limit becomes much smaller than that of the corresponding hard-sphere and charged colloidal suspensions at the same volume fraction. Contrary to literature conclusions, we find that, at relatively low concentrations, the system consists mostly of monomers or dimers; while, at high concentrations, large dynamic clusters dominate. Our results will benefit the understanding of colloidal systems with both a short-range attraction and an electrostatic repulsion that are ubiquitous in many biologically relevant systems. C1 [Faraone, Antonio; Liu, Yun] Natl Inst Stand & Technol, NCNR, Gaithersburg, MD 20899 USA. [Porcar, Lionel; Falus, Peter] ILL, F-38042 Grenoble 9, France. [Chen, Wei-Ren] Oak Ridge Natl Lab, Spallat Neutron Source, NSS Div, Oak Ridge, TN 37831 USA. [Faraone, Antonio] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Fratini, Emiliano; Baglioni, Piero] Univ Florence, Dept Chem & CSGI, I-50019 Florence, Italy. [Hong, Kunlun] Oak Ridge Natl Lab, CNMS, Oak Ridge, TN 37831 USA. [Liu, Yun] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. RP Liu, Y (reprint author), Natl Inst Stand & Technol, NCNR, Gaithersburg, MD 20899 USA. EM yunliu@nist.gov RI Fratini, Emiliano/C-9983-2010; Baglioni, Piero/B-1208-2011; Liu, Yun/F-6516-2012; Hong, Kunlun/E-9787-2015 OI Fratini, Emiliano/0000-0001-7104-6530; Baglioni, Piero/0000-0003-1312-8700; Liu, Yun/0000-0002-0944-3153; Hong, Kunlun/0000-0002-2852-5111 FU NIST, U.S. Department of Commerce [70NANB7H6178]; MIUR; CSGI FX This manuscript was prepared under cooperative agreement 70NANB7H6178 from NIST, U.S. Department of Commerce. E.F. and P.B. acknowledge financial support from MIUR and CSGI. NR 27 TC 72 Z9 72 U1 6 U2 50 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD JAN PY 2010 VL 1 IS 1 BP 126 EP 129 DI 10.1021/jz900127c PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 586KD UT WOS:000276905600028 ER PT J AU Pol, VG Calderon-Moreno, JM AF Pol, Vilas G. Calderon-Moreno, Jose M. TI Fabrication of Luminescent Eu2O3 Superstructures SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID EUROPIUM OXIDE NANOPARTICLES; NANOTUBES AB This Letter demonstrates a solvent free efficient synthesis process to prepare self-assembled two-dimensional Eu2O3 luminescent nanoplates to yield a superstructure. In the first step, Eu2O2CO3 superstructures are fabricated by the thermolysis [700 degrees C] of a single precursor, europium acetate, in a closed reactor under autogenic pressure. The as-prepared Eu2O2CO3 superstructures are further heated in air to 750 degrees C to facilitate the fabrication of Eu2O3 superstructures. A systematic morphological, structural, and compositional characterization of Eu2O3 superstructures is carried out. The photoluminescent properties and mechanism for the strong red emission of the photoexcited Eu2O3 superstructures is proposed. C1 [Pol, Vilas G.] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Calderon-Moreno, Jose M.] Inst Phys Chem Ilie Murgulescu, Bucharest 060021, Romania. RP Pol, VG (reprint author), Argonne Natl Lab, Intense Pulsed Neutron Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM pol@anl.gov RI Calderon Moreno, Jose/B-2867-2008 OI Calderon Moreno, Jose/0000-0001-8376-9082 FU U.S. Department of Energy [DE-AC02-06CH11357] FX This work benefited from the use of the facilities at IPNS, CNM, CSE, and EMC at ANL supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 14 TC 12 Z9 12 U1 0 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD JAN PY 2010 VL 1 IS 1 BP 319 EP 322 DI 10.1021/jz900123s PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 586KD UT WOS:000276905600068 ER PT J AU Gu, ZJ Liu, F Li, XF Howe, J Xu, J Zhao, YL Pan, ZW AF Gu, Zhanjun Liu, Feng Li, Xufan Howe, Jane Xu, Jun Zhao, Yuliang Pan, Zhengwei TI Red, Green, and Blue Luminescence from ZnGa2O4 Nanowire Arrays SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID ELECTROLUMINESCENT DEVICES; PHOSPHOR; CATHODOLUMINESCENCE; FILM; GA2O3/ZNO; MECHANISM AB Large-area (>1 cm(2)), vertically aligned ZnGa2O4, Mn2+-doped ZnGa2O4 (ZnGa2O4:Mn2+) and Cr3+-doped ZnGa2O4 (ZnGa2O4:Cr3+) nanowire. arrays were synthesized by a two-step thermal evaporation method using ZnO nanowire arrays as the templates followed by reaction with Ga and/or dopant (Mn or Cr) vapors. Bright red, green, and blue luminescence was achieved, respectively, from ZnGa2O4:Cr3+, ZnGGa(2)O(4):Mn2+, and ZnGa2O4 nanowire arrays under ultraviolet light irradiation. The realization of three primary colors from one host material suggests that full color display based on ZnGa2O4 nanowires might be achievable. C1 [Gu, Zhanjun; Liu, Feng; Li, Xufan; Pan, Zhengwei] Univ Georgia, Dept Phys & Astron, Fac Engn, Athens, GA 30602 USA. [Gu, Zhanjun; Zhao, Yuliang] Chinese Acad Sci, Inst High Energy Phys, Lab Bioenvironm Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China. [Howe, Jane; Xu, Jun] Oak Ridge Natl Lab, Div Chem Sci, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Pan, ZW (reprint author), Univ Georgia, Dept Phys & Astron, Fac Engn, Athens, GA 30602 USA. EM panz@uga.edu RI Howe, Jane/G-2890-2011; Gu, Zhanjun/A-7592-2013; Li, Xufan/A-8292-2013; OI Gu, Zhanjun/0000-0003-3717-2423; Li, Xufan/0000-0001-9814-0383; Pan, Zhengwei/0000-0002-3854-958X FU U.S. Department of Energy, National Nuclear Security Administration, Office of Nonproliferation Research and Engineering [DE-AC05-00OR22725]; Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Office of Nonproliferation Research and Engineering, under Contract No. DE-AC05-00OR22725 with Oak Ridge National. Laboratory. The TEM characterization was conducted at the Oak Ridge National Laboratory SHaRE User Facility, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy. NR 25 TC 26 Z9 26 U1 7 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD JAN PY 2010 VL 1 IS 1 BP 354 EP 357 DI 10.1021/jz900213p PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 586KD UT WOS:000276905600076 ER PT J AU Kuklja, MM Rashkeev, SN AF Kuklja, Maija M. Rashkeev, Sergey N. TI Self-Accelerated Mechanochemistry in Nitroarenes SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID THERMAL-DECOMPOSITION; HYDROGEN-TRANSFER; 1,1-DIAMINO-2,2-DINITROETHYLENE; EXPLOSIVES; STATE; TATB; PRESSURE; CRYSTAL AB The initiation of explosive decomposition in two energetic crystals, diamino-dinitroethylene (DADNE, C(2)H(4)N(4)O(4)) and triamino-trinitrobenzene (TATB, C(6)H(6)N(6)O(6)), was investigated using density functional theory. The initial chemical reactions in ideal TATB crystals were found to be determined by three main decomposition mechanisms that are almost unaffected by a shear-strain-induced deformation, C-NO(2) homolysis, nitro-nitrite isomerization, and proton transfer. The two latter reactions are nearly isoenergetic and have lower activation, energies than the first reaction. At the same time, decomposition of DADNE is found to depend strongly on the molecular environment; molecules in ideal DADNE crystals favor nitro nitrite isomerization, while molecules located at shear planes decompose via the C-NO(2) homolysis pathway. We also established that the shear-strain accumulated in the-DADNE dashboard-shaped molecular layers triggers an exothermic regime at fairly early stages of decomposition. In contrast, the structure of TATB that consists of flat, graphite-like molecular layers activates accelerated exothermal chemistry only at much higher concentrations of initial decomposition products. C1 [Kuklja, Maija M.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Rashkeev, Sergey N.] Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA. RP Kuklja, MM (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. FU ARO MURI [W9011NF-05-1-0266]; ONR [N00014-09-1-0225]; INL LDRD; DoE, Office of Nuclear Energy under DoE Idaho Operations Office [DE-AC07-051D14517]; U.S. DoE [DE-AC02-05CH11231]; Office of the Director of the National Science Foundation FX This work is supported, in part, by ARO MURI Grant #W9011NF-05-1-0266, ONR Grant #N00014-09-1-0225, by the INL LDRD program, by the DoE, Office of Nuclear Energy under DoE Idaho Operations Office Contract DE-AC07-051D14517, and by a grant of computer time from the High Performance Computing program at the INL. Also, this research used resources of the NERSC, which is supported, in part, by the U.S. DoE under Contract No. DE-AC02-05CH11231. M.M.K. is graceful to the Office of the Director of the National Science Foundation for support under the IRD Program. Any appearance of findings, conclusions, or recommendations, expressed in this material are those of the authors and do not necessarily reflect views of NSF. NR 20 TC 20 Z9 20 U1 1 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD JAN PY 2010 VL 1 IS 1 BP 363 EP 367 DI 10.1021/jz9001967 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 586KD UT WOS:000276905600078 ER PT J AU Alvarez, RM Hopkins, A Sinclair, B AF Alvarez, R. Michael Hopkins, Asa Sinclair, Betsy TI Mobilizing Pasadena Democrats: Measuring The Effects of Partisan Campaign Contacts SO JOURNAL OF POLITICS LA English DT Article ID FIELD EXPERIMENT; VOTER TURNOUT; DIRECT MAIL; CALLS; GOTV AB This paper examines the effect of an entire campaign using a randomized field experiment where the treatment consists of campaign decisions made by a campaign manager. In contrast to the majority of the field experiments found in the contemporary get-out-the-vote literature, this paper studies the actual behavior of a campaign within a particular election as opposed to studying particular mobilization tactics. Thus, the campaign itself chooses the method used to contact each individual within the randomly assigned treatment group. Contacts are made via face-to-face canvassing, phone calls, e-mails, and door hangers and consist of experienced volunteers making partisan appeals. We observe a large treatment effect of campaign contact despite a small number of face-to-face contacts, suggesting that the targeting strategy of the campaign manager is particularly effective. C1 [Alvarez, R. Michael] CALTECH, Pasadena, CA 91125 USA. [Hopkins, Asa] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Sinclair, Betsy] Univ Chicago, Chicago, IL 60637 USA. RP Alvarez, RM (reprint author), CALTECH, Pasadena, CA 91125 USA. NR 29 TC 8 Z9 8 U1 2 U2 6 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND SN 0022-3816 J9 J POLIT JI J. Polit. PD JAN PY 2010 VL 72 IS 1 BP 31 EP 44 DI 10.1017/S0022381609990454 PG 14 WC Political Science SC Government & Law GA 548FS UT WOS:000273945700003 ER PT J AU Hongsirikarn, K Goodwin, JG Greenway, S Creager, S AF Hongsirikarn, Kitiya Goodwin, James G., Jr. Greenway, Scott Creager, Stephen TI Influence of ammonia on the conductivity of Nafion membranes SO JOURNAL OF POWER SOURCES LA English DT Article DE Ammonia poisoning; Nafion conductivity; Proton exchange membrane fuel cell (PEMFC); Contaminants in fuel cells; Impurity effect on conductivity; Electrochemical impedance spectroscopy ID POLYMER-ELECTROLYTE MEMBRANES; PROTON-EXCHANGE MEMBRANE; FUEL-CELL MEMBRANES; WATER-UPTAKE; IONIC-CONDUCTIVITY; CATALYST LAYER; DRAWN NAFION; TRANSPORT; MODEL; PERFORMANCE AB The effect of NH(3) and NH(4)(+) poisoning on the conductivity of Nafion membranes was investigated via electrochemical impedance spectroscopy. The conductivities of membranes prepared with different NH(4)(+) compositions were measured in deionized water at room temperature and compared to those at 80 degrees C in a gas phase for various relative humidities. The liquid-phase conductivity decreased linearly with an increase in the NH(4)(+) composition in the membrane (y(NH4+)), with that of the NH(4)(+)-form having a conductivity 25% that of the H(+)-form. The gas-phase conductivity of the NH(4)(+)-form, on the other hand, declined by 66-98% relative to the H(+)-form depending on humidity. The conductivities of fresh membranes in the presence of gas-phase NH(3) at different humidities were also studied. The conductivity decreased with time-on-stream and reached the same conductivity at a given humidity regardless of the NH(3) concentration, but the time to reach steady-state varied with NH(3) concentration. The y(NH4+) at steady-state conductivity was equivalent for all the NH(3) concentrations studied. The kinetics of conductivity decrease was slower at higher humidities. The humidity and y(NH4+) appear to have a concerted effect on the conductivity. The quantitative conductivity data under practical fuel cell conditions should be useful for future fuel cell modeling. (C) 2009 Elsevier B.V. All rights reserved. C1 [Hongsirikarn, Kitiya; Goodwin, James G., Jr.] Clemson Univ, Dept Chem & Biomol Engn, Clemson, SC 29634 USA. [Greenway, Scott] Savannah River Natl Lab, Aiken, SC 29808 USA. [Creager, Stephen] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. RP Goodwin, JG (reprint author), Clemson Univ, Dept Chem & Biomol Engn, 127 Earle Hall, Clemson, SC 29634 USA. EM jgoodwi@clemson.edu RI Greenway, Scott/A-8084-2011 FU U.S. Department of Energy [DE-FG36-07GO17011] FX The authors gratefully acknowledge the financial support from the U.S. Department of Energy (Award No DE-FG36-07GO17011). K. H. thanks Drs. Xunhua Mo, Edgar Lotero, Kaewta Suwannakarn, Nattaporn Lohitharn, and Hector Colon Mercado for discussions about data analysis and also Mr. Wittawat Kositwattanarer, a graduate student, for his advice on SAS 9.2 software. NR 56 TC 29 Z9 29 U1 6 U2 42 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 JAN 1 PY 2010 VL 195 IS 1 BP 30 EP 38 DI 10.1016/j.jpowsour.2009.07.013 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 534GB UT WOS:000272883200004 ER PT J AU Stanis, RJ Yaklin, MA Cornelius, CJ Takatera, T Umemoto, A Ambrosini, A Fujimoto, CH AF Stanis, Ronald J. Yaklin, Melissa A. Cornelius, Chris J. Takatera, Tsutomu Umemoto, Akimasa Ambrosini, Andrea Fujimoto, Cy H. TI Evaluation of hydrogen and methanol fuel cell performance of sulfonated diels alder poly(phenylene) membranes SO JOURNAL OF POWER SOURCES LA English DT Article DE Sulfonated diels alder poly(phenylene) (SDAPP); Fuel cell; Proton conductivity; Hydrogen; Methanol ID POLYMER ELECTROLYTE MEMBRANES; PROTON-EXCHANGE MEMBRANES; COMPOSITE MEMBRANES; PART II; CONDUCTIVITY; WATER; POLYBENZIMIDAZOLE; COPOLYMERS; TRANSPORT; DMFC AB Hydrogen fuel cell performance of sulfonated diels alder poly(phenylene) (SDAPP) with IECs >= 1.8 meq g(-1) is comparable to Nafion 212 under fully humidified conditions at 80 degrees C. However, as relative humidity is reduced, performance loss is substantial for SDAPP when compared to Nafion 212. This loss can be attributed to the large drop in proton conductivity in SDAPP as relative humidity is reduced; the proton conductivity of SDAPP with an IEC of 2.3 meq g(-1) dropped from 0.117 S cm(-1) to 0.001 S cm(-1) as the relative humidity was reduced from 100% to 25% at 80 degrees C. Methanol fuel cell experiments using 3M methanol result in a 60 mV performance improvement at 25 mA cm(-2) when using SDAPP with an IEC of 1.2 meq g(-1) instead of Nafion 212. This improvement is due to lower methanol permeability of SDAPP (1.4 meq g(-1)) over Nafion 212, with SDAPP films having methanol permeabilities less than 25% of Nafion 212. (C) 2009 Elsevier B.V. All rights reserved. C1 [Stanis, Ronald J.; Yaklin, Melissa A.; Cornelius, Chris J.; Ambrosini, Andrea; Fujimoto, Cy H.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Takatera, Tsutomu; Umemoto, Akimasa] Sharp Co Ltd, Nara 6328567, Japan. RP Stanis, RJ (reprint author), Inst Gas Technol, Off Technol & Innovat, 1700 S Mt Prospect Rd, Des Plaines, IL 60018 USA. EM Ron.Stanis@gastechnology.org FU Sharp Corporation [SC05/01712]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL-85000] FX We would like to thank the Sharp Corporation for partial funding support of this research under CRADA No. SC05/01712. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL-85000. NR 34 TC 8 Z9 8 U1 0 U2 5 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 JAN 1 PY 2010 VL 195 IS 1 BP 104 EP 110 DI 10.1016/j.jpowsour.2009.06.082 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 534GB UT WOS:000272883200013 ER PT J AU Yilmaz, SL Nik, MB Givi, P Strakey, PA AF Yilmaz, S. L. Nik, M. B. Givi, P. Strakey, P. A. TI Scalar Filtered Density Function for Large Eddy Simulation of a Bunsen Burner SO JOURNAL OF PROPULSION AND POWER LA English DT Article ID TURBULENT REACTING FLOWS; FOKKER-PLANCK EQUATIONS; JET FLAMES; NUMERICAL-SIMULATION; DIFFERENTIAL DIFFUSION; SLOT FLAME; COMBUSTION; FORMULATION; MODEL; LES AB The scalar filtered density function methodology is employed for large eddy simulation of a turbulent stoichiometric premixed methane-air flame. The scalar filtered density function accounts for the subgrid-scale chemical reaction by considering the mass-weighted probability density function of the subgrid-scale scalar quantities. A transport equation is derived for the scalar filtered density function in which the effects of chemical reactions appear in closed form. The subgrid-scale mixing is modeled via the linear mean square estimation model, and the convective fluxes are modeled via a subgrid-scale viscosity. The modeled scalar filtered density function transport equation is solved by a hybrid finite difference and Monte Carlo scheme. A novel irregular Monte Carlo portioning procedure is developed that facilitates efficient simulations with realistic flow parameters. Combustion chemistry is modeled via five-step, nine-species reduced chemical kinetics. Simulated results are assessed by comparisons against laboratory data. Good agreements are observed, capturing several important features of the flame as observed experimentally. C1 [Yilmaz, S. L.; Nik, M. B.; Givi, P.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15260 USA. [Yilmaz, S. L.; Givi, P.; Strakey, P. A.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Yilmaz, SL (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15260 USA. RI Yilmaz, S. Levent/G-8872-2011 FU National Energy Technology Laboratory [DE-AC26-04NT41817]; National Science Foundation FX This work is sponsored by the National Energy Technology Laboratory's ongoing research in "Assessment of Turbo-Chemistry Models for Gas Turbine Combustion" under the RDS contract DE-AC26-04NT41817 and supported in part by the National Science Foundation through TeraGrid resources provided by the Pittsburgh Supercomputing Center. NR 89 TC 17 Z9 17 U1 2 U2 7 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0748-4658 J9 J PROPUL POWER JI J. Propul. Power PD JAN-FEB PY 2010 VL 26 IS 1 BP 84 EP 93 DI 10.2514/1.44600 PG 10 WC Engineering, Aerospace SC Engineering GA 545QL UT WOS:000273751400008 ER PT J AU Dewberry, RA Sigg, RA Salaymeh, SR AF Dewberry, R. A. Sigg, R. A. Salaymeh, S. R. TI Gamma-pulse-height evaluation of a USA Savannah River Site Burial Ground special configuration waste item SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE ISOTOPIC; Microshield; gamma-PHA assay; Solid waste stream; TRU waste AB The Savannah River Site (SRS) Burial Ground had a container labeled as Box 33 for which they had no reliable solid waste stream designation. The container consisted of an outer box of dimensions 48 '' x 46 '' x66 '' and an inner box that contained high density and high radiation dose material. From the outer box Radiation Control measured an extremity dose rate of 22 mrem/h. With the lid removed from the outer box, the maximum dose rate measured from the inner box was 100 mrem/h extremity and 80 mrem/h whole body. From the outer box the material was sufficiently high in density that the Solid Waste Management operators were unable to obtain a Co-60 radiograph of the contents. Solid Waste Management requested that the Analytical Development Section of Savannah River National Laboratory perform a gamma-ray assay of the item to evaluate the radioactive content and possibly to designate a solid waste stream. This paper contains the results of three models used to analyze the measured gamma-ray data acquired in an unusual configuration. C1 [Dewberry, R. A.; Sigg, R. A.; Salaymeh, S. R.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Dewberry, RA (reprint author), Savannah River Natl Lab, 773-41 A, Aiken, SC 29808 USA. EM raymond.dewberry@srnl.doe.gov NR 14 TC 0 Z9 0 U1 1 U2 1 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 JAN PY 2010 VL 283 IS 1 BP 163 EP 169 DI 10.1007/s10967-009-0135-2 PG 7 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 552ZE UT WOS:000274333000022 ER PT J AU John, JF Mahurin, S Dai, S Sepaniak, MJ AF John, Joshy F. Mahurin, Shannon Dai, Sheng Sepaniak, Michael J. TI Use of atomic layer deposition to improve the stability of silver substrates for in situ, high temperature SERS measurements SO JOURNAL OF RAMAN SPECTROSCOPY LA English DT Article DE SERS; atomic layer deposition, stability ID SURFACE-ENHANCED RAMAN; ISLAND FILMS; DISTANCE-DEPENDENCE; SCATTERING MEASUREMENT; SPECTROSCOPY; GOLD; ADSORPTION; ELECTRODE; MONOLAYERS; PALLADIUM AB A method to stabilize silver surface-enhanced Raman spectroscopy (SERS) substrates for in situ, high-temperature applications is demonstrated. Silver island films grown by thermal evaporation were coated with a thin layer (from 2.5 to 5 nm) of alumina by atomic layer deposition (ALD), which protects and stabilizes the SERS-active substrate without eliminating the Raman enhancement. The temporal stability of the alumina-coated silver island films was examined by measurement of the Raman intensity of rhodamine 6G molecules deposited onto bare and alumina-coated silver substrates over the course of 34 days. The coated substrates showed almost no change in SERS enhancement, while the uncoated substrates exhibited a significant decrease in Raman intensity. To demonstrate the feasibility of the alumina-coated silver substrate as a probe of adsorbates and reactions at elevated temperatures, an in situ SERS measurement of calcium nitrate tetrahydrate on bare and alumina-coated silver was performed at temperatures ranging from 25 to 400 degrees C. ALD deposition of an ultrathin alumina layer significantly improved the thermal stability of the SERS substrate, thus enabling in situ detection of the dehydration of the calcium nitrate tetrahydrate at an elevated temperature. Despite some loss of Raman signal, the coated substrate exhibited greater thermal stability compared to the uncoated substrate. These experiments show that ALD can be used to synthesize stable SERS substrates capable of measuring adsorbates and processes at high temperature. Copyright (C) 2009 John Wiley & Sons, Ltd. C1 [Mahurin, Shannon; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [John, Joshy F.; Sepaniak, Michael J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Mahurin, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 FU Environmental Management Science Program (EMSP); Division of Chemical Sciences, Office of Basic Energy Sciences, US Department of Energy; US Department of Energy (DOE) [DE-AC05-00OR22725]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX This work was supported by the Environmental Management Science Program (EMSP) and the Division of Chemical Sciences, Office of Basic Energy Sciences, US Department of Energy. The Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the US Department of Energy (DOE) under contract DE-AC05-00OR22725 A portion of this research at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy NR 43 TC 33 Z9 35 U1 6 U2 43 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0377-0486 J9 J RAMAN SPECTROSC JI J. Raman Spectrosc. PD JAN PY 2010 VL 41 IS 1 BP 4 EP 11 DI 10.1002/jrs.2395 PG 8 WC Spectroscopy SC Spectroscopy GA 560TD UT WOS:000274924900002 ER PT J AU Moritz, TJ Brunberg, JA Krol, DM Wachsmann-Hogiu, S Lane, SM Chan, JW AF Moritz, Tobias J. Brunberg, James A. Krol, Denise M. Wachsmann-Hogiu, Sebastian Lane, Stephen M. Chan, James W. TI Characterisation of FXTAS related isolated intranuclear protein inclusions using laser tweezers Raman spectroscopy SO JOURNAL OF RAMAN SPECTROSCOPY LA English DT Article DE Raman spectroscopy; laser tweezers; Fragile X-associated tremor/ataxia syndrome; intranuclear inclusions; protein inclusions ID BACILLUS-STEAROTHERMOPHILUS; SECONDARY STRUCTURE; POLARIZED RAMAN; CELLS; SPECTRA; MICROSPECTROSCOPY; BINDING; COMPLEXES; MARKERS; TISSUES AB We report the analysis of the vibrational modes of intranuclear protein inclusions isolated from the brain of human subjects with the Fragile X-associated tremor/ataxia syndrome (FXTAS). In this preliminary study, Raman spectra of optically trapped inclusions were measured and analysed to determine protein composition and structure. Our main findings are as follows: (1) The spectra of protein inclusions are characteristic of H2A and H2B histones, which correlate with previous mass spectrometry (MS) studies; (2) Tyrosine is present in its OH form and exposed at the protein surface; (3) Zn and to a lesser extent Cu bound to histidine side chains are detected in the inclusions; (4) The tryptophan side-chain torsion angle is calculated to be 102 degrees; (5) Several potential spectroscopic markers for the inclusions of FXTAS are identified. These results show the capability of using laser tweezers Raman spectroscopy to identify protein inclusions in a non-perturbative way and to gain further insight into the pathogenesis and progression of FXTAS in human subjects and in experimental models of this disorder. Copyright (C) 2009 John Wiley & Sons, Ltd. C1 [Chan, James W.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Moritz, Tobias J.; Krol, Denise M.] Univ Calif Davis, Biophys Grad Grp, Davis, CA 95616 USA. [Moritz, Tobias J.; Wachsmann-Hogiu, Sebastian; Lane, Stephen M.; Chan, James W.] Univ Calif Davis, NSF Ctr Biophoton Sci & Technol, Sacramento, CA 95817 USA. [Brunberg, James A.] Univ Calif Davis, Med Ctr, Dept Radiol, Sacramento, CA 95817 USA. [Krol, Denise M.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [Wachsmann-Hogiu, Sebastian] Univ Calif Davis, Med Ctr, Dept Pathol & Lab Med, Sacramento, CA 95817 USA. RP Chan, JW (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. RI Chan, James/J-3829-2014 FU National Science Foundation FX The authors gratefully thank Christine K. Iwahashi and Prof. Paul Hagerman for generously providing us with the isolated protein inclusions This work has been supported by funding from the National Science Foundation. The Center for Biophotonics, an NSF Science and Technology Center, is managed by the University of California, Davis, under Cooperative Agreement No PHY0120999 NR 34 TC 8 Z9 8 U1 1 U2 10 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0377-0486 J9 J RAMAN SPECTROSC JI J. Raman Spectrosc. PD JAN PY 2010 VL 41 IS 1 BP 33 EP 39 DI 10.1002/jrs.2436 PG 7 WC Spectroscopy SC Spectroscopy GA 560TD UT WOS:000274924900006 ER PT J AU Walsh, Z Levkin, PA Jain, V Paull, B Svec, F Macka, M AF Walsh, Zarah Levkin, Pavel A. Jain, Vijay Paull, Brett Svec, Frantisek Macka, Mirek TI Visible light initiated polymerization of styrenic monolithic stationary phases using 470 nm light emitting diode arrays SO JOURNAL OF SEPARATION SCIENCE LA English DT Article DE LED; Monolith; Photoinitiated polymerization; Styrene; Visible light ID LIQUID-CHROMATOGRAPHY SEPARATION; IONIZATION MASS-SPECTROMETRY; CAPILLARY COLUMNS; PHOTOINITIATED POLYMERIZATION; PEPTIDES; PROTEINS; PHOTOPOLYMERIZATION; TRITHIOCARBONATE; MEDIA; MS AB Poly (styrene-co-divinylbenzene) monolithic stationary phases have been synthesized for the first time by photoinitated polymerization. An initiator composed of (+)-(S)camphorquinone/ethyl-4-dimethylaminobenzoate/N-methoxy-4-phenylpyridinium tetrafluoroborate was activated using a 470 nm light emitting diode array as the light source. Spatially controlled polymerization of styrenic monoliths has been achieved within specific sections of a 100 pm id polytetrafluoroethylene-coated fused-silica capillary using simple photo masking. The sharpness of the edges was confirmed by optical microscopy, while SEM was used to verify a typical porous, globular morphology. Flow resistance data were used to assess the permeability of the monoliths and they were found to have good flow through properties with a flow resistance of 0.725 MPa/cm at 1 mu L/min (water, 20 degrees C). Conductivity profiling along the length of the capillary was used to assess their lateral homogeneity. Monoliths which were axially rotated during polymerization were found to be homogeneous along the whole length of the capillary. The monolithic stationary phases were applied to the RP gradient separation of a mixture of proteins. Column fabrication showed excellent reproducibility with the retention factor (k) having a RSD value of 2.6% for the batch and less than 1.73% on individual columns. C1 [Walsh, Zarah; Paull, Brett; Macka, Mirek] Dublin City Univ, Sch Chem Sci, Dublin 9, Ireland. [Walsh, Zarah; Paull, Brett; Macka, Mirek] Natl Ctr Sensor Res, Irish Separat Sci Cluster, Dublin, Ireland. [Levkin, Pavel A.; Jain, Vijay; Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Macka, M (reprint author), Dublin City Univ, Sch Chem Sci, Dublin 9, Ireland. EM mirek.macka@gmail.com RI Levkin, Pavel/E-5804-2011; Macka, Mirek/G-6553-2012; OI Levkin, Pavel/0000-0002-5975-948X; Macka, Mirek/0000-0002-6792-2574; paull, brett/0000-0001-6373-6582; Walsh, Zarah/0000-0001-8570-045X FU Marie Curie Excellence [MEXT-CT-2004-014361]; Science Foundation Ireland [08/SRC/B1412]; National Institutes of Health [GM48364]; Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy [DE-AC02-05CH11231] FX Z.W. and M.M. acknowledge the Marie Curie Excellence Grants and Funding (MEXT-CT-2004-014361) for financial support of this work. Dublin City University School of Chemical Sciences is acknowledged for a travel grant enabling Z. W. to visit the Lawrence Berkeley National Laboratory. B.P. and M.M. wish to thank Science Foundation Ireland for support for the Irish Separation Science Cluster award (Grant Number 08/SRC/B1412). Support of P.L. by a grant of the National Institutes of Health (GM48364) is gratefully acknowledged. F. S. and the experimental work performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, were supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. NR 25 TC 25 Z9 26 U1 2 U2 30 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1615-9306 J9 J SEP SCI JI J. Sep. Sci. PD JAN PY 2010 VL 33 IS 1 BP 61 EP 66 DI 10.1002/jssc.200900624 PG 6 WC Chemistry, Analytical SC Chemistry GA 552PX UT WOS:000274306800007 PM 20091717 ER PT J AU Braga, MH Ferreira, JJA Siewenie, J Proffen, T Vogel, SC Daemen, LL AF Braga, M. H. Ferreira, J. J. A. Siewenie, J. Proffen, Th. Vogel, S. C. Daemen, L. L. TI Neutron powder diffraction and first-principles computational studies of CuLixMg2-x (x congruent to 0.08), CuMg2, and Cu2Mg SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Cu-Li-Mg; Neutron diffraction; First-principles calculations; X-ray diffraction; Rietveld refinement; Pair distribution function ID AUGMENTED-WAVE METHOD; CU-LI-MG; ELECTRON-GAS; HYDROGEN; MAGNESIUM; ENERGY; SYSTEM; PHASE AB A small addition of Li changes the orthorhombic structure of CuMg2 to hexagonal CuLixMg2-x (x=0.08). Determining the Li content of the ternary phase and Li atomic positions was our main objective for this work. For this reason we performed neutron diffraction at several different temperatures below and above room temperature. The results obtained on two neutron powder diffractometers were compared with X-ray diffraction (XRD) data, and with first-principles calculations. The first-principles calculations are in good agreement with Rietveld-refined data from neutron diffraction, but do not show a marked preference for one of several possible Li sites. The pair distribution function (PDF) fitting is consistent with Li substituting only Mg1 (1/2, 0, z). Interstitial spaces in the structure of CuMg2 and of CuLixMg2-x were also considered, but are unlikely to be occupied by Li. Neutron diffraction data for binary CuMg2 and Cu2Mg were also obtained. Published by Elsevier Inc. C1 [Braga, M. H.] Univ Porto, Fac Engn, CEMUC, P-4200465 Oporto, Portugal. [Braga, M. H.] Univ Porto, Fac Engn, Dept Engn Phys, P-4200465 Oporto, Portugal. [Braga, M. H.; Siewenie, J.; Proffen, Th.; Vogel, S. C.; Daemen, L. L.] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Ferreira, J. J. A.] LNEG Lab, P-4466956 Sao Mamede de Infesta, Portugal. RP Braga, MH (reprint author), Univ Porto, Fac Engn, CEMUC, R Dr Roberto Frias S-N, P-4200465 Oporto, Portugal. EM mbraga@fe.up.pt RI LNEG, Producao Cientifica/D-2212-2012; Lujan Center, LANL/G-4896-2012; Braga, Maria Helena/A-2491-2014; Ferreira, J. Jorge/M-5209-2015; Proffen, Thomas/B-3585-2009 OI Braga, Maria Helena/0000-0003-4577-2154; Proffen, Thomas/0000-0002-1408-6031 FU Portuguese Science Foundation, FCT [SFRH/BSAB/791/2008]; DOE Office of Basic Energy Sciences [DE-AC52-06NA25396]; NSF [DMR 00-76488] FX M.H. Braga would like to acknowledge Portuguese Science Foundation, FCT, for the sabbatical grant (SFRH/BSAB/791/2008). This work has benefited from the use of NPDF and HIPPO at the Lujan Center at Los Alamos Neutron Science Center, funded by DOE Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. The upgrade of NPDF has been funded by NSF through grant DMR 00-76488. NR 35 TC 4 Z9 4 U1 1 U2 8 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 JAN PY 2010 VL 183 IS 1 BP 10 EP 19 DI 10.1016/j.jssc.2009.09.010 PG 10 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 546TK UT WOS:000273834600002 ER PT J AU Leon-Escamilla, EA Dervenagas, P Stassis, C Corbett, JD AF Leon-Escamilla, E. Alejandro Dervenagas, Panagiotis Stassis, Constantine Corbett, John D. TI Hydrogen in polar intermetallics: Syntheses and structures of the ternary Ca5Bi3D0.93, Yb5Bi3Hx, and Sm5Bi3H similar to 1 by powder neutron or single crystal X-ray diffraction SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Interstitial atoms; Diffraction; Impurities; Hydride ID CR5B3-LIKE STRUCTURES; PHASES; HYDRIDE; BINARY; SR; BA; EU; MN5SI3-TYPE; PNICTIDES; CA AB The syntheses of the title compounds are described in detail. Structural characterizations from refinements of single crystal X-ray diffraction data for Yb5Bi3Hx and Sm5Bi3H similar to 1 and of powder neutron diffraction data for Ca5Bi3D0.93(3) are reported. These confirm that all three crystallize with the heavy atom structure type of beta-Yb5Sb3, and the third gives the first proof that the deuterium lies in the center of nominal calcium tetrahedra, isostructural with the Ca5Sb3F-type structure. These Ca and Yb phases are particularly stable with respect to dissociation to Mn5Si3-type product plus H-2. Some contradictions in the literature regarding Yb5Sb3 and Yb5Sb3Hx phases are considered in terms of adventitious hydrogen impurities that are generated during reactions in fused silica containers at elevated temperatures. (C) 2009 Elsevier Inc. All rights reserved. C1 [Leon-Escamilla, E. Alejandro; Corbett, John D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Leon-Escamilla, E. Alejandro; Dervenagas, Panagiotis; Stassis, Constantine; Corbett, John D.] Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. [Dervenagas, Panagiotis; Stassis, Constantine] Iowa State Univ, Dept Phys, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM jcorbett@iastate.edu FU US Department of Energy (DOE); Iowa State University [AC02-07CH11358] FX This research was supported by the Office of the Basic Energy Sciences, Materials Sciences Division, US Department of Energy (DOE). The Ames Laboratory is operated for DOE by Iowa State University under Contract no. AC02-07CH11358. NR 13 TC 6 Z9 6 U1 0 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD JAN PY 2010 VL 183 IS 1 BP 114 EP 119 DI 10.1016/j.jssc.2009.10.024 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 546TK UT WOS:000273834600016 ER PT J AU Zhou, YY Liu, X Furdyna, JK Scarpulla, MA Dubon, OD AF Zhou, Y. Y. Liu, X. Furdyna, J. K. Scarpulla, M. A. Dubon, O. D. TI Ferromagnetic Resonance Study of Ga1-x Mn (x) As Fabricated on (311) GaAs Wafers by Mn Ion Implantation and Pulsed-Laser Melting SO JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM LA English DT Article; Proceedings Paper CT 5th International Conference on Physics and Applications of Spin-Related Phenomena in Semiconductors CY AUG 03-06, 2008 CL Foz do Iguacu, BRAZIL DE Ferromagnetic resonance; Magnetic anisotropy; Ion implantation and pulsed-laser melting; (311) GaAs wafers ID MAGNETIC SEMICONDUCTORS; ANISOTROPY; (GA,MN)AS AB We present a ferromagnetic resonance (FMR) study of Ga1-x Mn (x) As fabricated by Mn ion implantation (II) into (311) GaAs wafers followed by pulsed-laser melting (PLM). We measured the angular dependence of FMR at 4 K, and the data were then fitted by Stoner-Wohlfarth model to obtain the cubic and uniaxial anisotropy parameters. The observed angular behavior of FMR can be understood in terms of two contributions: a cubic anisotropy field parallel to the aOE (c) 001 > axes, and a uniaxial anisotropy field parallel to the [311] direction. Our results show that the magnetic anisotropy fields in II-PLM (Ga,Mn)As are fundamentally similar to those in Ga1-x Mn (x) As samples grown by molecular beam epitaxy (MBE), indicating that the two different growth methods lead to materials with very similar magnetic properties. C1 [Zhou, Y. Y.; Liu, X.; Furdyna, J. K.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Scarpulla, M. A.; Dubon, O. D.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Scarpulla, M. A.; Dubon, O. D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Zhou, YY (reprint author), Univ Notre Dame, Dept Phys, 225 Nieuwland Sci Hall, Notre Dame, IN 46556 USA. EM yzhou2@nd.edu OI Scarpulla, Michael/0000-0002-6084-6839 NR 20 TC 2 Z9 2 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1557-1939 EI 1557-1947 J9 J SUPERCOND NOV MAGN JI J. Supercond. Nov. Magn PD JAN PY 2010 VL 23 IS 1 SI SI BP 87 EP 90 DI 10.1007/s10948-009-0539-9 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 534NT UT WOS:000272905100022 ER PT J AU Anda, EV Chiappe, G Busser, CA Davidovich, MA Martins, GB Heidrich-Meisner, F Dagotto, E AF Anda, E. V. Chiappe, G. Buesser, C. A. Davidovich, M. A. Martins, G. B. Heidrich-Meisner, F. Dagotto, E. TI A Perturbation Expansion Method to Study Highly Correlated Spins SO JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM LA English DT Article; Proceedings Paper CT 5th International Conference on Physics and Applications of Spin-Related Phenomena in Semiconductors CY AUG 03-06, 2008 CL Foz do Iguacu, BRAZIL ID RENORMALIZATION-GROUP; TRANSPORT AB This paper proposes a new numerical algorithm to study dynamical spin dependent properties of local highly correlated structures. The method consists in diagonalizing a finite cluster containing the many-body terms of the Hamiltonian and embedding it into the rest of the system, the Embedding Cluster Approximation (ECA), combined with Wilson's ideas of logarithmic discretization of the representation of the Hamiltonian, the Logarithm Discretization Embedded Cluster Approximation (LDECA). The physics associated to a dot and a side-coupled double dot connected to leads are discussed in detail. C1 [Anda, E. V.; Davidovich, M. A.] Pontificia Univ Catolica Rio de Janeiro, Dept Fis, BR-22453900 Rio De Janeiro, Brazil. [Chiappe, G.] Univ Alicante, Dept Fis Aplicada, Alicante 03690, Spain. [Buesser, C. A.; Martins, G. B.] Oakland Univ, Dept Phys, Rochester, MI 48309 USA. [Heidrich-Meisner, F.] Rhein Westfal TH Aachen, Inst Theoret Phys C, D-52056 Aachen, Germany. [Dagotto, E.] Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. [Dagotto, E.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Anda, EV (reprint author), Pontificia Univ Catolica Rio de Janeiro, Dept Fis, BR-22453900 Rio De Janeiro, Brazil. EM anda@fis.puc-rio.br RI Heidrich-Meisner, Fabian/B-6228-2009; Busser, Carlos/K-1017-2014; Chiappe, Guillermo/P-8460-2014; Martins, George/C-9756-2012 OI Busser, Carlos/0000-0002-0353-7490; Chiappe, Guillermo/0000-0001-8077-1873; Martins, George/0000-0001-7846-708X NR 14 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1557-1939 J9 J SUPERCOND NOV MAGN JI J. Supercond. Nov. Magn PD JAN PY 2010 VL 23 IS 1 SI SI BP 145 EP 148 DI 10.1007/s10948-009-0549-7 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 534NT UT WOS:000272905100036 ER PT J AU Kennepohl, P Wasinger, EC George, SD AF Kennepohl, Pierre Wasinger, Erik C. George, Serena DeBeer TI X-ray spectroscopic approaches to the investigation and characterization of photochemical processes (vol 16, pg 484, 2009) SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Correction C1 [Kennepohl, Pierre] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada. [Wasinger, Erik C.] Calif State Univ Chico, Dept Chem, Chico, CA 95929 USA. [George, Serena DeBeer] Stanford Univ, SLAC, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. RP Kennepohl, P (reprint author), Univ British Columbia, Dept Chem, 2036 Main Mall, Vancouver, BC V6T 1Z1, Canada. EM pierre@chem.ubc.ca RI DeBeer, Serena/G-6718-2012; Kennepohl, Pierre/B-2096-2009 OI Kennepohl, Pierre/0000-0003-3408-9157 NR 1 TC 0 Z9 0 U1 1 U2 4 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD JAN PY 2010 VL 17 BP 138 EP 138 DI 10.1107/S0909049509048237 PN 1 PG 1 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 535SJ UT WOS:000272990700018 ER PT J AU Schilling, GD Shelley, JT Barnes, JH Sperline, RP Denton, MB Barinaga, CJ Koppenaal, DW Hieftje, GM AF Schilling, Gregory D. Shelley, Jacob T. Barnes, James H. Sperline, Roger P. Denton, M. Bonner Barinaga, Charles J. Koppenaal, David W. Hieftje, Gary M. TI Detection of Positive and Negative Ions from a Flowing Atmospheric Pressure Afterglow Using a Mattauch-Herzog Mass Spectrograph Equipped with a Faraday-Strip Array Detector SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID INDUCTIVELY-COUPLED PLASMA; CHEMICAL-IONIZATION SOURCE; SPECTROMETRY; PERFORMANCE AB An ambient desorption/ionization (ADT) source, known as the flowing atmospheric pressure afterglow (FAPA), has been Coupled to a Mattauch-Herzog mass spectrograph (MHMS) equipped with a focal plane camera (FPC) array detector. The FAPA ionization source enables direct mass spectral analysis of solids, liquids, and gases through either positive or negative ionization modes. In either case, spectra are generally simple with dominant peaks being the molecular ions or protonated molecular ions. Use of the FAPA source with the MHMS allows the FPC detector to be characterized for the determination of molecular species, whereas previously only atomic mass spectrometry (MS) has been demonstrated. Furthermore, the FPC is shown to be sensitive to negative ions without the need to change any detector parameters. The analysis of solid, liquid, and gaseous samples through positive and negative ionization is demonstrated with detection limits (1-25 fmol/s, similar to 0.3-10 pg of analyte per mL of helium) surpassing those obtained with the FAPA source coupled to a time-of-flight mass analyzer. (J Am Soc Mass Spectrom 2010, 21, 97-103) (C) 2010 American Society for Mass Spectrometry C1 [Schilling, Gregory D.; Shelley, Jacob T.; Hieftje, Gary M.] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Barnes, James H.] Univ Multispectral Labs, Ponca City, OK USA. [Sperline, Roger P.; Denton, M. Bonner] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. [Barinaga, Charles J.; Koppenaal, David W.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hieftje, GM (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. EM hiefje@indiana.edu FU U.S. Department of Energy, Office of Nonproliferation Research [DE-AC06-76RLO-1830]; Prosolia, Inc.; Indiana METACyt Initiative of Indiana University; Lilly Endowment, Inc. FX The authors acknowledge support in part for this work by the U.S. Department of Energy, Office of Nonproliferation Research and Engineering. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the Department of Energy under Contract DE-AC06-76RLO-1830. The authors also acknowledge support in part also by Prosolia, Inc. and by the Indiana METACyt Initiative of Indiana University, funded in part through a major grant from the Lilly Endowment, Inc. NR 15 TC 18 Z9 18 U1 3 U2 13 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD JAN PY 2010 VL 21 IS 1 BP 97 EP 103 DI 10.1016/j.jasms.2009.09.009 PG 7 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 555NG UT WOS:000274518100012 PM 19889553 ER PT J AU Ferreira, R Lai, K Lins, RD AF Ferreira, Ricardo Lai, Kevin Lins, Roberto D. TI Prebiotic Chemical Kinetics Imprint on Positional Codon Usage SO JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY LA English DT Article DE codon usage; pre-biotic Earth; molecular evolution; data mining; RefSeq ID RNA WORLD; ORIGIN; ACIDS AB Over one million exons across the three Domains of Life have been analyzed and a significant excess of first codons containing identical bases in their first two positions has been found in Eubacteria and Archaea genomes. This frequency is observed to be much lower in the genome of Eukarya. This discrepancy is proposed to depend on the kinetics of oligoribotide/oligoribotide-like growth in the primeval Earth, toned down during further evolution. C1 [Ferreira, Ricardo; Lai, Kevin] Univ Fed Pernambuco, Dept Quim Fundamental, BR-50740 Recife, PE, Brazil. [Lins, Roberto D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ferreira, R (reprint author), Univ Fed Pernambuco, Dept Quim Fundamental, BR-50740 Recife, PE, Brazil. EM rferreira100@yahoo.com RI Lins, Roberto/J-7511-2012 OI Lins, Roberto/0000-0002-3983-8025 FU DOE Office of Advanced Scientific Computing Research; National Council for Scientific and Technological Development, CNPq FX This work was supported in part by the DOE Office of Advanced Scientific Computing Research through the project "Data Intensive Computing for Complex Biological Systems" and the National Council for Scientific and Technological Development, CNPq. The authors acknowledge the use of computational resources provided by the William R. Wiley Environmental Molecular Sciences Laboratory housed at Pacific Northwest National Laboratory. Battelle Memorial Institute operates the Pacific Northwest National Laboratory for the U.S. Department of Energy. We also thank Jason McDermott, Ronald Taylor, Brian Lower, Haluk Resat, Thereza Soares, Victor Russu, Peter Wolynes and Andre Cavalcanti for providing valuable comments. NR 22 TC 0 Z9 0 U1 0 U2 2 PU SOC BRASILEIRA QUIMICA PI SAO PAULO PA CAIXA POSTAL 26037, 05599-970 SAO PAULO, BRAZIL SN 0103-5053 J9 J BRAZIL CHEM SOC JI J. Braz. Chem. Soc. PY 2010 VL 21 IS 6 BP 1117 EP 1120 DI 10.1590/S0103-50532010000600022 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 610PJ UT WOS:000278745400022 ER PT J AU Arise, I Kawai, S Fukunaka, Y McLarnon, FR AF Arise, I. Kawai, S. Fukunaka, Y. McLarnon, F. R. TI Numerical Calculation of Ionic Mass-Transfer Rates Accompanying Anodic Zinc Dissolution in Alkaline Solution SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE anodisation; charge exchange; dissolving; electrochemical electrodes; electrolytes; holographic interferometry; numerical analysis; passivation; refractive index; zinc compounds ID TRANSIENT NATURAL-CONVECTION; FILM CHEMICAL SENSORS; MODEL PORE ELECTRODE; ZNO THIN-FILMS; OXIDE FILMS; CONCENTRATION DISTRIBUTIONS; ELECTROCHEMICAL DEPOSITION; PROPYLENE CARBONATE; SIMULATION; OPTIMIZATION AB Transient ionic mass-transfer rates during the anodic dissolution of an upward-facing horizontal zinc electrode in a 10 wt % (1.95 M) KOH aqueous electrolyte were monitored by holographic interferometry. The anode potential during zinc dissolution was also measured against a HgO/Hg reference electrode. A two-dimensional mathematical model, wherein a supporting electrolyte also takes part in the electrochemical reactions, was developed to characterize the electrolyte transport phenomena. Transient mass-transfer rates of both Zn(OH)(4)(2-) and OH(-) ions were numerically analyzed, and calculated transient refractive index profiles and anode overpotentials were compared to measured values. The electrochemical dissolution and passivation phenomena of the zinc anode in an alkaline electrolyte solution were discussed. C1 [Arise, I.] Kyoto Univ, Grad Sch Energy Sci, Dept Energy Sci & Technol, Kyoto 6068501, Japan. [Kawai, S.] Kyoto Univ, Grad Sch Engn, Dept Mech Engn & Sci, Kyoto 6068501, Japan. [Fukunaka, Y.] Waseda Univ, Nanotechnol Res Ctr, Tokyo 1620041, Japan. [McLarnon, F. R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Arise, I (reprint author), Kyoto Univ, Grad Sch Energy Sci, Dept Energy Sci & Technol, Kyoto 6068501, Japan. EM fukunaka@energy.kyoto-u.ac.jp NR 32 TC 5 Z9 5 U1 2 U2 16 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 2 BP A171 EP A178 DI 10.1149/1.3267872 PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 538ZJ UT WOS:000273222700008 ER PT J AU Chen, GY Richardson, TJ AF Chen, Guoying Richardson, Thomas J. TI Overcharge Protection for 4 V Lithium Batteries at High Rates and Low Temperatures SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ION CELLS; ELECTROACTIVE POLYMERS; POLYFLUORENE; BEHAVIOR AB Overcharge protection for 4 V Li(1.05)Mn(1.95)O(4)/lithium cells at charging rates in excess of 1 mA/cm(2) (3C) and at temperatures of as low as -20 degrees C was achieved using a bilayer separator coated with two electroactive polymers. High rate and low temperature overcharge protection and discharge performance were improved by employing a design in which the polymer-coated portion of the separator is in parallel with the cell rather than between the electrodes. The effects of different membrane supports for the electroactive polymers were also examined. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3392370] All rights reserved. C1 [Chen, Guoying; Richardson, Thomas J.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Chen, GY (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM gchen@lbl.gov FU U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Celgard Inc., Freudenberg and Tapyrus Co. Ltd. for providing membranes. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 20 TC 8 Z9 8 U1 4 U2 24 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 6 BP A735 EP A740 DI 10.1149/1.3392370 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 590WX UT WOS:000277260200019 ER PT J AU Deng, H Belharouak, I Yoon, CS Sun, YK Amine, K AF Deng, H. Belharouak, I. Yoon, C. S. Sun, Y. -K. Amine, K. TI High Temperature Performance of Surface-Treated Li-1.1(Ni0.15Co0.1Mn0.55)O-1.95 Layered Oxide SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID NICKEL MANGANESE OXIDES; LITHIUM-ION BATTERIES; ELEVATED-TEMPERATURE; SECONDARY BATTERIES; CATHODE MATERIAL; ELECTRODES; CAPACITY; STABILITY; LI2MNO3; CELLS AB The electrochemical performance of pristine and AlF3-coated Li1.1Ni0.15Co0.1Mn0.55O1.95 cathodes is reported for cells cycled at 25 and 55 degrees C. In a half-cell configuration, a nanolayer coating of AlF3 on the Li1.1Ni0.15Co0.1Mn0.55O1.95 stabilizes the capacity on cycling. However, in cell tests with metallic lithium anodes, the initial coulombic efficiency decreased slightly at both 25 and 55 degrees C for AlF3-coated Li1.1Ni0.15Co0.1Mn0.55O1.95 in comparison to the pristine material. For cells constructed with graphite instead of lithium anodes, the capacity stability improved with cycling for the coated cathode materials. Transition- metal dissolution was more pronounced for the AlF3-coated sample when stored at 55 degrees C in electrolytes. For both the pristine and AlF3-coated samples, there was no extra capacity loss due to the elevated temperature. Around 10% capacity gain of the cathode materials at elevated temperature is assumed to be due to improved thermodynamic activation. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3467855] All rights reserved. C1 [Deng, H.; Belharouak, I.; Amine, K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Yoon, C. S.] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea. [Sun, Y. -K.] Hanyang Univ, Dept Chem Engn, Seoul 133791, South Korea. [Sun, Y. -K.] Hanyang Univ, Dept WCU Energy Engn, Seoul 133791, South Korea. RP Deng, H (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM belharouak@anl.gov; amine@anl.gov RI Sun, Yang-Kook/B-9157-2013; Amine, Khalil/K-9344-2013; OI Sun, Yang-Kook/0000-0002-0117-0170; Belharouak, Ilias/0000-0002-3985-0278 FU U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office; U.S. Department of Energy [DE-AC0Z-06CH11357] FX This research was funded by the U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC0Z-06CH11357. The Electron Microscopy Center at Argonne National Laboratory is acknowledged for the SEM analyzes. NR 20 TC 57 Z9 60 U1 1 U2 53 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 10 BP A1035 EP A1039 DI 10.1149/1.3467855 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 643OQ UT WOS:000281306900001 ER PT J AU Deng, H Belharouak, I Wu, H Dambournet, D Amine, K AF Deng, H. Belharouak, I. Wu, H. Dambournet, D. Amine, K. TI Effect of Cobalt Incorporation and Lithium Enrichment in Lithium Nickel Manganese Oxides SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE cathodes; cobalt compounds; electrochemical electrodes; lithium compounds; nanofabrication; nanoparticles; nickel compounds; precipitation (physical chemistry) ID SITU X-RAY; CATHODE MATERIALS; ELECTROCHEMICAL PROPERTIES; SECONDARY BATTERIES; ION BATTERIES; ELECTRODES M; MN; CO; STABILITY; BEHAVIOR AB Candidate cathode materials of cobalt-incorporated and lithium-enriched Li(1+x)Ni0.25Co0.15Mn0.6O(2.175+x/2) (x=0.225-0.65) have been prepared by a coprecipitation method and a solid-state reaction. We systematically investigated the effect of both cobalt presence and lithium concentration on the structure, physical properties, and electrochemical behavior of the studied samples. The electrochemical performance of the cobalt-containing compounds showed much less dependence on the variation in the lithium amounts compared to the cobalt-free counterpart. The study demonstrated that even with cobalt incorporation, proper lithium content is the key to desirable cathode materials with nanostructured primary particles that are indispensable to achieve high capacity and high rate capability and, therefore, both improved energy and power densities for lithium-ion batteries. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3418608] All rights reserved. C1 [Deng, H.; Belharouak, I.; Wu, H.; Dambournet, D.; Amine, K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Deng, H (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM belharouak@anl.gov; amine@anl.gov RI Amine, Khalil/K-9344-2013; OI Belharouak, Ilias/0000-0002-3985-0278 FU U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office; U.S. Department of Energy by UChicago Argonne, LLC [DE-AC0Z-06CH11357] FX This research was funded by the U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC0Z-06CH11357. NR 31 TC 34 Z9 38 U1 1 U2 41 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 7 BP A776 EP A781 DI 10.1149/1.3418608 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 603BJ UT WOS:000278182600005 ER PT J AU Deng, HX Belharouak, I Cook, RE Wu, HM Sun, YK Amine, K AF Deng, Haixia Belharouak, Ilias Cook, Russel E. Wu, Huiming Sun, Yang-Kook Amine, Khalil TI Nanostructured Lithium Nickel Manganese Oxides for Lithium-Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE battery powered vehicles; electrochemical electrodes; hybrid electric vehicles; lithium compounds; nanostructured materials; nickel compounds; secondary cells ID SITU X-RAY; CATHODE MATERIALS; SECONDARY BATTERIES; ELECTROCHEMICAL-BEHAVIOR; ELECTRODES; CAPACITY; DIFFRACTION; NMR AB Nanostructured lithium nickel manganese oxides were investigated as advanced positive electrode materials for lithium-ion batteries designated to power plug-in hybrid electric vehicles and all-electric vehicles. The investigation included material characterization and electrochemical testing. In cell tests, the Li(1.375)Ni(0.25)Mn(0.75)O(2.4375) composition achieved high capacity (210 mAh g(-1)) at an elevated rate (230 mA g(-1)), which makes this material a promising candidate for high energy density Li-ion batteries, as does its being cobalt-free and uncoated. The material has spherical morphology with nanoprimary particles embedded in micrometer-sized secondary particles, possesses a multiphase character (spinel and layered), and exhibits a high packing density (over 2 g cm(-3)) that is essential for the design of high energy density positive electrodes. When combined with the Li(4)Ti(5)O(12) stable anode, the cell showed a capacity of 225 mAh g(-1) at the C/3 rate (73 mA g(-1)) with no capacity fading for 200 cycles. Other chemical compositions, Li((1+x))Ni(0.25)Mn(0.75)O((2.25+x/2)) (0.32 < x < 0.65), were also studied, and the relationships among their structural, morphological, and electrochemical properties are reported. C1 [Deng, Haixia; Belharouak, Ilias; Wu, Huiming; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Cook, Russel E.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Sun, Yang-Kook] Hanyang Univ, Dept Chem Engn, Ctr Informat & Commun Mat, Seoul 133791, South Korea. RP Deng, HX (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM belharouak@anl.gov; amine@anl.gov RI Sun, Yang-Kook/B-9157-2013; Amine, Khalil/K-9344-2013; OI Sun, Yang-Kook/0000-0002-0117-0170; Belharouak, Ilias/0000-0002-3985-0278 FU U.S. Department of Energy; FreedomCAR; Vehicle Technologies Office FX This research was funded by the U.S. Department of Energy, FreedomCAR, and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-ACOZ-06CH11357. NR 21 TC 68 Z9 69 U1 1 U2 59 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 4 BP A447 EP A452 DI 10.1149/1.3308598 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 569HI UT WOS:000275586800012 ER PT J AU Fell, CR Carroll, KJ Chi, MF Meng, YS AF Fell, Christopher R. Carroll, Kyler J. Chi, Miaofang Meng, Ying Shirley TI Synthesis-Structure-Property Relations in Layered, "Li-excess" Oxides Electrode Materials Li[Li(1/3-2x/3)Ni(x)Mn(2/3-x/3)]O(2) (x=1/3, 1/4, and 1/5) SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION BATTERIES; SOLID-SOLUTION; CO ELECTRODES; HIGH-CAPACITY; MN; NI; DIFFRACTION; PERFORMANCE; DEPOSITION; CATHODES AB Relations between synthesis conditions, detailed crystal structures, and electrochemical properties of the Li-excess layered oxides Li[Ni(x)Li(1/3-2x/3)Mn(2/3-x/3)]O(2)(0 < x < 1/2) are studied by X-ray diffraction, scanning electron microscopy (EELS), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and electron energy-loss spectrometry, combined with electrochemical property measurements including potentiostatic intermittent titration technique (PITT). Optimal synthesis conditions are obtained for stoichiometric samples sintered at 1000 degrees C in air followed by furnace cooling. The materials exhibit capacities of similar to 250, 230, and 200 mAh/g within a voltage range of 2-4.8 V on discharge for x = 1/5, 1/4 and 1/3, respectively. Diffraction data of electrochemically cycled electrode materials show an expanded c/a lattice ratio and changing Li/Ni interlayer mixing indicating peculiar cation migration in the structures. High resolution TEM images and XPS spectra show obvious differences in the surface characteristics of the samples synthesized with stoichiometric and excess amount of LiOH, suggesting that surface characteristics is one of the contributing factors to the difference in electrochemical properties. Our results suggest that the first cycle irreversible capacity is affected by both the bulk and surface characteristics of pristine materials, which is strongly influenced by precursor chemistry. The PITT results suggest that cation rearrangement during the charge/discharge has a significant impact on the lithium chemical diffusivity. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3473830] All rights reserved. C1 [Fell, Christopher R.; Meng, Ying Shirley] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Carroll, Kyler J.] Virginia Commonwealth Univ, Dept Chem, Richmond, VA 23284 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Carroll, Kyler J.; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 90393 USA. RP Fell, CR (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. EM shirleymeng@ucsd.edu RI Carroll, Kyler/F-3932-2011; Meng, Shirley /I-1276-2013; Chi, Miaofang/Q-2489-2015 OI Carroll, Kyler/0000-0002-6259-7290; Chi, Miaofang/0000-0003-0764-1567 FU Northeastern Center for Chemical Energy Storage (NECCES); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC 0001294, UCSD 51055]; Florida Energy System Consortium through University of Florida [80859]; VCU Nanomaterials Core Characterization Facility; School of Engineering Foundation; NSF [CHE-0820945]; Division of Scientific User Facilities, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy FX Y.S.M. acknowledges the financial support from the Northeastern Center for Chemical Energy Storage (NECCES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award no. DE-SC 0001294 (subcontract to UCSD 51055). C. R. F. acknowledges the financial support from Florida Energy System Consortium through University of Florida under award no. 80859. The XPS work was supported by the VCU Nanomaterials Core Characterization Facility, School of Engineering Foundation and a grant from NSF CHE-0820945 MRI. EELS analysis was carried out at the ORNL SHaRE User Facility supported by the Division of Scientific User Facilities, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. The authors are in debt to Dr. J. L. Jones at the University of Florida for access to the XRD facility. Y.S.M. and C. R. F. thank Dr. M. Jiang for her insightful discussions. C. R. F. acknowledges the assistance from A. Emly and M. Yang. NR 25 TC 66 Z9 70 U1 3 U2 76 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 11 BP A1202 EP A1211 DI 10.1149/1.3473830 PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 675TH UT WOS:000283857900017 ER PT J AU Griffiths, SK Nilson, RH AF Griffiths, Stewart K. Nilson, Robert H. TI Optimum Interparticle Porosity for Charge Storage in a Packed Bed of Nanoporous Particles SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE electromigration; Laplace transforms; nanoparticles; nanoporous materials; porosity ID DOUBLE-LAYER CAPACITORS; PORE STRUCTURE; ELECTROCHEMICAL CAPACITORS; CARBON ELECTRODES; ACTIVATED CARBONS; SUPERCAPACITORS; MODEL; PERFORMANCE; DIFFUSION; TRANSPORT AB Analytical and numerical methods are used to investigate ion transport and storage within the pore network of a porous bed of nanoporous particles. Under simplifying assumptions that electromigration dominates ion transport, that the pore capacitance is constant, and that the electrolyte exhibits ideal behavior, transport within this hierarchical pore network is modeled using a coupled pair of one-dimensional equations describing net charge motion into the bed by way of the interparticle void and subsequently into smaller pores within particles. These diffusion-like equations are solved analytically via Laplace transforms, and the results are used to determine the optimum interparticle porosity yielding the maximum energy deliverable in a specified time. Both step and periodic boundary conditions are considered, and closed-form expressions for the optimum porosity are derived for the periodic case. We find that the optimum porosity is remarkably similar for the periodic and step boundary conditions when the normalized bed thickness is very large or very small. We also find that the optimum porosity increases at least linearly with bed thickness when the thickness is small but is independent of both the thickness and prescribed time for delivery when the bed thickness is large. Sample results are presented and discussed. C1 [Griffiths, Stewart K.; Nilson, Robert H.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Griffiths, SK (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM skgriff@sandia.gov NR 37 TC 4 Z9 4 U1 0 U2 8 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 4 BP A469 EP A479 DI 10.1149/1.3295715 PG 11 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 569HI UT WOS:000275586800015 ER PT J AU Jung, YS Cavanagh, AS Dillon, AC Groner, MD George, SM Lee, SH AF Jung, Yoon Seok Cavanagh, Andrew S. Dillon, Anne C. Groner, Markus D. George, Steven M. Lee, Se-Hee TI Enhanced Stability of LiCoO2 Cathodes in Lithium-Ion Batteries Using Surface Modification by Atomic Layer Deposition SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID BINARY REACTION SEQUENCE; NITRIDE THIN-FILMS; ELECTROCHEMICAL PERFORMANCE; ELECTRODE MATERIALS; ETHYLENE-GLYCOL; ROTARY REACTOR; CHEMISTRY; GROWTH; METAL; NANOPARTICLES AB Ultrathin atomic layer deposition (ALD) coatings enhance the performance of lithium-ion batteries (LIBs). Previous studies have demonstrated that LiCoO2 cathode powders coated with metal oxides with thicknesses of similar to 100 to 1000 angstrom grown using wet chemical techniques improved LIB performance. In this study, LiCoO2 powders were coated with conformal Al2O3 ALD films with thicknesses of only similar to 3 to 4 angstrom established using two ALD cycles. The coated LiCoO2 powders exhibited a capacity retention of 89% after 120 charge-discharge cycles in the 3.3-4.5 V (vs Li/Li+) range. In contrast, the bare LiCoO2 powders displayed only a 45% capacity retention. Al2O3 ALD films coated directly on the composite electrode also produced improved capacity retention. This dramatic improvement may result from the ultrathin Al2O3 ALD film acting to minimize Co dissolution or reduce surface electrolyte reactions. Similar experiments with ultrathin ZnO ALD films did not display enhanced performance. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3258274] All rights reserved. C1 [Cavanagh, Andrew S.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Jung, Yoon Seok; Lee, Se-Hee] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Groner, Markus D.] ALD NanoSolut Inc, Broomfield, CO 80020 USA. RP Jung, YS (reprint author), Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. EM sehee.lee@colorado.edu RI Lee, Sehee/A-5989-2011; Jung, Yoon Seok/B-8512-2011; George, Steven/O-2163-2013 OI Jung, Yoon Seok/0000-0003-0357-9508; George, Steven/0000-0003-0253-9184 FU DOE SBIR; iMINT DARPA Center at the University of Colorado; Korea Research Foundation [KRF-2008-357-D00066] FX This work was funded by a subcontract from a DOE SBIR grant to ALD NanoSolutions (Broomfield, CO). A. S. C. received additional support from the iMINT DARPA Center at the University of Colorado. Y.S.J. also acknowledges a Korea Research Foundation grant (KRF-2008-357-D00066). NR 56 TC 171 Z9 173 U1 33 U2 230 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 1 BP A75 EP A81 DI 10.1149/1.3258274 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 527SQ UT WOS:000272387200013 ER PT J AU Kang, SH Pol, VG Belharouak, I Thackeray, MM AF Kang, S. -H. Pol, V. G. Belharouak, I. Thackeray, M. M. TI A Comparison of High Capacity xLi(2)MnO(3)center dot(1-x)LiMO2 (M=Ni,Co,Mn) Cathodes in Lithium-Ion Cells with Li4Ti5O12- and Carbon-Encapsulated Anatase TiO2 Anodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE carbon; electrochemical electrodes; encapsulation; lithium compounds; manganese compounds; nickel compounds; secondary cells; semiconductor materials; titanium compounds ID ELECTROCHEMICAL PERFORMANCE; ANOMALOUS CAPACITY; BATTERY SYSTEM; ELECTRODES; LI; MN; NI; NANOCRYSTALS; TEMPERATURE; REACTIVITY AB The electrochemical performance of high capacity xLi(2)MnO(3)center dot(1-x)LiMO2 (M=Ni,Co,Mn) cathodes was evaluated in a lithium-ion cell configuration against Li4Ti5O12- and carbon-encapsulated anatase, TiO2-C, anodes. The electrode composition 0.5Li(2)MnO(3)center dot 0.5LiNi(0.44)Mn(0.31)Co(0.25)O(2) that provides a rechargeable capacity of 250 mAh/g was selected for the study. Li4Ti5O12/0.5Li(2)MnO(3)center dot 0.5LiNi(0.44)Mn(0.31)Co(0.25)O(2) cells operate with excellent reversibility, offering a superior energy density to Li4Ti5O12/Li1+xMn2-xO4 (spinel/spinel) cells that are being developed for powering hybrid and plug-in hybrid (10 mile) vehicles. Carbon encapsulation of anatase TiO2 did not improve the stability or cycle life of LixTiO2 electrodes for x>0.5; TiO2-C/0.5Li(2)MnO(3)center dot 0.5LiNi(0.44)Mn(0.31)Co(0.25)O(2) cells steadily lose capacity on electrochemical cycling. C1 [Kang, S. -H.; Pol, V. G.; Belharouak, I.; Thackeray, M. M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Kang, SH (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sunho.kang@anl.gov RI Kang, Sun-Ho/E-7570-2010; OI Belharouak, Ilias/0000-0002-3985-0278 FU U.S. Department of Energy [DE-AC02-06CH11357] FX Financial support from the Office of Vehicle Technologies of the U.S. Department of Energy is gratefully acknowledged. Use of the FESEM facilities at Argonne's Center for Nanoscale Materials (CNM) is also acknowledged.; 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 30 TC 28 Z9 30 U1 5 U2 53 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP A267 EP A271 DI 10.1149/1.3274205 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900004 ER PT J AU Kercher, AK Kiggans, JO Dudney, NJ AF Kercher, A. K. Kiggans, J. O. Dudney, N. J. TI Carbon Fiber Paper Cathodes for Lithium Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID COMPOSITE; CARBONIZATION; LIFEPO4; ANODES; CELLS AB A lithium ion battery cathode structure was produced which has the potential for excellent capacity retention and good thermal management. In these cathodes, the active cathode material (lithium iron phosphate) was carbon bonded to a thermally and electrically conductive carbon fiber paper (CFP) support. Electrochemical testing was performed on Swagelok cells consisting of CFP cathodes and lithium anodes. High specific energy, near-theoretical capacity, and good cycling performance were demonstrated for 0.11 and 0.37 mm thick CFP cathodes. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3495711] All rights reserved. C1 [Kercher, A. K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Kiggans, J. O.; Dudney, N. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Kercher, AK (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM dudneynj@ornl.gov RI Kercher, Andrew/K-1147-2016; Dudney, Nancy/I-6361-2016; kiggans, james/E-1588-2017 OI Kercher, Andrew/0000-0003-1784-5686; Dudney, Nancy/0000-0001-7729-6178; kiggans, james/0000-0001-5056-665X FU Office of Vehicle Technologies of the U.S. Department of Energy; Division of Scientific User Facilities, U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725] FX The authors acknowledge the high quality SEM work of Karren More and Shawn Reeves (ORNL) and the preliminary thermal property measurements of Hsin Wang (ORN). Also, the authors thank Karim Zaghib at HydroQuebec for supplying the LiFePO4 powders used in this study. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) Program. Electron microscopy was conducted at the Shared Research Equipment (SHaRE) user facility (ORNL), which is sponsored by the Division of Scientific User Facilities, U.S. Department of Energy. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract no. DE-AC05-00OR22725. NR 20 TC 17 Z9 17 U1 3 U2 39 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 12 BP A1323 EP A1327 DI 10.1149/1.3495711 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 676SH UT WOS:000283938300007 ER PT J AU Ramadesigan, V Boovaragavan, V Pirkle, JC Subramanian, VR AF Ramadesigan, Venkatasailanathan Boovaragavan, Vijayasekaran Pirkle, J. Carl, Jr. Subramanian, Venkat R. TI Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE diffusion; eigenvalues and eigenfunctions; electrochemical electrodes; Galerkin method; lithium; secondary cells ID GALVANOSTATIC BOUNDARY-CONDITIONS; DIFFERENTIAL-ALGEBRAIC SYSTEMS; POROUS-ELECTRODE; INTERCALATION; INSERTION; CELL AB Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms with an appropriate discretization or approximation for the solid phase. One of the major difficulties in simulating Li-ion battery models is the need for simulating solid-phase diffusion in a second dimension r. It increases the complexity of the model as well as the computation time/cost to a great extent. Traditional approach toward solid-phase diffusion leads to more difficulties, with the use of emerging cathode materials, which involve phase changes and thus moving boundaries. A computationally efficient representation for solid-phase diffusion is discussed in this paper. The operating condition has a significant effect on the validity, accuracy, and efficiency of various approximations for the solid-phase diffusion. This paper compares approaches available today for solid-phase reformulation and provides two efficient forms for constant and varying diffusivities in the solid phase. This paper introduces an efficient method of an eigenfunction based Galerkin collocation and a mixed order finite difference method for approximating/representing solid-phase concentration variations within the active materials of porous electrodes for a pseudo-two-dimensional model for lithium-ion batteries. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3425622] All rights reserved. C1 [Ramadesigan, Venkatasailanathan; Pirkle, J. Carl, Jr.; Subramanian, Venkat R.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA. [Boovaragavan, Vijayasekaran] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Ramadesigan, V (reprint author), Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA. EM vsubramanian@wustl.edu RI Subramanian, Venkat/E-8849-2011 FU NSF [SGER 0609915, CBET 0828002, CBET 1008692]; United States government FX The authors are thankful for the partial financial support of this work by the NSF: SGER 0609915, CBET 0828002, and CBET 1008692 and the United States government. NR 20 TC 44 Z9 44 U1 1 U2 15 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 7 BP A854 EP A860 DI 10.1149/1.3425622 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 603BJ UT WOS:000278182600018 ER PT J AU Rhodes, K Dudney, N Lara-Curzio, E Daniel, C AF Rhodes, Kevin Dudney, Nancy Lara-Curzio, Edgar Daniel, Claus TI Understanding the Degradation of Silicon Electrodes for Lithium-Ion Batteries Using Acoustic Emission SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID IN-SITU RAMAN; X-RAY-DIFFRACTION; NEGATIVE ELECTRODE; SECONDARY BATTERIES; LI; PARTICLES; CELLS; INTERCALATION; GENERATION; STRESS AB Silicon is a promising anode material for lithium-ion battery application due to its high specific capacity, low cost, and abundance. However, when silicon is lithiated at room temperature, it can undergo a volume expansion in excess of 280%, which leads to an extensive fracturing. This is thought to be a primary cause of the rapid decay in cell capacity routinely observed. Acoustic emission (AE) was employed to monitor activity in composite silicon electrodes while cycling in lithium-ion half-cells using a constant current-constant voltage procedure. The major source of AE was identified as the brittle fracture of silicon particles resulting from the alloying reaction that gives rise to LixSi phases. The largest number of emissions occurred on the first lithiation, corresponding to surface fracture of the silicon particles, followed by distinct emission bursts on subsequent charge and discharge steps. Furthermore, a difference in the average parameters describing the emission during charge and discharge steps was observed. The potential diagnostic and materials development applications of the presented AE techniques are discussed. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3489374] All rights reserved. C1 [Rhodes, Kevin; Daniel, Claus] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Rhodes, Kevin; Dudney, Nancy; Lara-Curzio, Edgar; Daniel, Claus] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37931 USA. RP Rhodes, K (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM k8e@ornl.gov RI Daniel, Claus/A-2060-2008 OI Daniel, Claus/0000-0002-0571-6054 FU Vehicle Technologies program for the Office of Energy Efficiency and Renewable Energy [DE-AC05-00OR22725] FX This research at Oak Ridge National Laboratory, managed by U. T. Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725 was sponsored by the Vehicle Technologies program for the Office of Energy Efficiency and Renewable Energy. Parts of this research were performed at the High Temperature Materials Laboratory, a national user facility sponsored by the same office. NR 44 TC 43 Z9 43 U1 4 U2 56 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 12 BP A1354 EP A1360 DI 10.1149/1.3489374 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 676SH UT WOS:000283938300012 ER PT J AU Robinson, DB Wu, CAM Jacobs, BW AF Robinson, David B. Wu, Chung-An Max Jacobs, Benjamin W. TI Effect of Salt Depletion on Charging Dynamics in Nanoporous Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ELECTRICAL DOUBLE-LAYER; POROUS-ELECTRODES; ELECTROCHEMICAL CAPACITORS; CONCENTRATION POLARIZATION; STERN LAYER; MODEL; IMPEDANCE; INTERFACES; SUPERCAPACITORS; PROPAGATION AB Electrochemical double-layer capacitors built from nanoporous electrodes can have such a high ratio of electrode surface area to pore volume that charging the capacitor can deplete the salt from the liquid volume. This can result in increased resistance, resulting in a slow, nonlinear charging rate of which quantitative understanding is limited. In some cases, this effect is masked by an external solution resistance or by the transport of salt into the pore from an external reservoir. However, in forms relevant to a compact energy storage device, the phenomenon can have an important effect on charging time and linearity, and understanding it is important for such design. We have observed salt depletion effects by using dealloyed gold, which has well-defined 10 nm pores and a chemically well-understood surface, and by minimizing the amount of external salt within range of diffusion. Good correspondence is observed with a modified de Levie model that accounts for reduced local conductivity due to salt depletion. The model's assumption that the Stern layer (ions closely bound to the pore wall) makes a low contribution to conductance in the pore is validated by experimental data. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3416905] All rights reserved. C1 [Robinson, David B.; Wu, Chung-An Max; Jacobs, Benjamin W.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Robinson, DB (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM drobins@sandia.gov FU Sandia National Laboratories; United States Department of Energy [DE-AC04-94AL85000] FX This work was performed under the Laboratory-Directed Research and Development program at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 45 TC 15 Z9 16 U1 1 U2 14 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 8 BP A912 EP A918 DI 10.1149/1.3416905 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 622OP UT WOS:000279673400002 ER PT J AU Rumble, C Conry, TE Doeff, M Cairns, EJ Penner-Hahn, JE Deb, A AF Rumble, C. Conry, T. E. Doeff, Marca Cairns, Elton J. Penner-Hahn, James E. Deb, Aniruddha TI Structural and Electrochemical Investigation of Li(Ni0.4Co0.15Al0.05Mn0.4)O-2 Cathode Material SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID X-RAY-ABSORPTION; LITHIUM-ION BATTERIES; NONAQUEOUS ELECTROLYTE; AL SUBSTITUTION; SPECTROSCOPY; EDGE; NICKEL; XANES; MN; LICO1/3NI1/3MN1/3O2 AB Li(Ni0.4Co0.15Al0.05Mn0.4)O-2 was investigated to understand the effect of replacement of the cobalt by aluminum on the structural and electrochemical properties. In situ X-ray absorption spectroscopy (XAS) was performed, utilizing a novel in situ electrochemical cell, specifically designed for long-term X-ray experiments. The cell was cycled at a moderate rate through a typical Li-ion battery operating voltage range. (1.0-4.7 V) XAS measurements were performed at different states of charge (SOC) during cycling, at the Ni, Co, and the Mn edges, revealing details about the response of the cathode to Li insertion and extraction processes. The extended X-ray absorption fine structure (EXAFS) region of the spectra revealed the changes of bond distance and coordination number of Ni, Co, and Mn absorbers as a function of the SOC of the material. The oxidation states of the transition metals in the system are Ni2+, Co3+, and Mn4+ in the as-made material (fully discharged), while during charging the Ni2+ is oxidized to Ni4+ through an intermediate stage of Ni3+, Co3+ is oxidized toward Co4+, and Mn was found to be electrochemically inactive and remained as Mn4+. The EXAFS results during cycling show that the Ni-O changes the most, followed by Co-O, and Mn-O varies the least. These measurements on this cathode material confirmed that the material retains its symmetry and good structural short-range order leading to the superior cycling reported earlier. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3494211] All rights reserved. C1 [Rumble, C.; Penner-Hahn, James E.; Deb, Aniruddha] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. [Conry, T. E.; Doeff, Marca] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Cairns, Elton J.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Cairns, Elton J.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Rumble, C (reprint author), Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. EM debani@umich.edu RI Doeff, Marca/G-6722-2013; Deb, Aniruddha/H-7529-2016; Cairns, Elton/E-8873-2012 OI Doeff, Marca/0000-0002-2148-8047; Deb, Aniruddha/0000-0002-0331-9709; Cairns, Elton/0000-0002-1179-7591 FU E. I. DuPont de Nemours and Co.; Dow Chemical Company; U.S. National Science Foundation [DMR-9304725]; State of Illinois through the Department of Commerce; Board of Higher Education [IBHE HECA NWU 9]; Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] FX Work was performed at the DND-CAT beam line, which is supported by the E. I. DuPont de Nemours and Co., the Dow Chemical Company, the U.S. National Science Foundation through Grant no. DMR-9304725, and the State of Illinois through the Department of Commerce and the Board of Higher Education Grant no. IBHE HECA NWU 96. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 38 TC 14 Z9 14 U1 3 U2 41 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 12 BP A1317 EP A1322 DI 10.1149/1.3494211 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 676SH UT WOS:000283938300006 ER PT J AU Sethuraman, VA Srinivasan, V Bower, AF Guduru, PR AF Sethuraman, V. A. Srinivasan, V. Bower, A. F. Guduru, P. R. TI In Situ Measurements of Stress-Potential Coupling in Lithiated Silicon SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION BATTERIES; CARBON-COATED SILICON; THIN-FILM ANODES; AMORPHOUS-SILICON; HIGH-CAPACITY; COMPOSITE ANODES; ELECTROCHEMICAL CHARACTERIZATION; THERMOCHEMICAL EQUILIBRIUM; NANOSTRUCTURED SILICON; INTERFACIAL PROPERTIES AB An analysis of the dependence of electric potential on the state of stress of a lithiated-silicon electrode is presented. Based on the Larche and Cahn chemical potential for a solid solution, a thermodynamic argument is made for the existence of the stress-potential coupling in lithiated silicon; based on the known properties of the material, the magnitude of the coupling is estimated to be similar to 60 mV/GPa in thin-film geometry. An experimental investigation is carried out on silicon thin-film electrodes in which the stress is measured in situ during electrochemical lithiation and delithiation. By progressively varying the stress through incremental delithiation, the relation between stress change and electric-potential change is measured to be 100-120 mV/GPa, which is of the same order of magnitude as the prediction of the analysis. The importance of the coupling is discussed in interpreting the hysteresis observed in the potential vs state-of-charge plots and the role of stress in modifying the maximum charge capacity of a silicon electrode under stress. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3489378] All rights reserved. C1 [Sethuraman, V. A.; Bower, A. F.; Guduru, P. R.] Brown Univ, Sch Engn, Providence, RI 02912 USA. [Srinivasan, V.] Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Sethuraman, VA (reprint author), Brown Univ, Sch Engn, Providence, RI 02912 USA. EM VJ@cal.berkeley.edu; VSrinivasan@lbl.gov; Allan_Bower@Brown.edu; Pradeep_Guduru@Brown.edu RI Sethuraman, Vijay/E-5702-2010 OI Sethuraman, Vijay/0000-0003-4624-1355 FU United States National Science Foundation [DMR0520651]; Rhode Island Science and Technology Advisory Council [RIRA 2010-26]; Assistant Secretary for Energy Efficiency, United States Department of Energy [DE-AC02-05CH11231] FX The authors gratefully acknowledge support to this work by the Materials Research, Science and Engineering Center (MRSEC) sponsored by the United States National Science Foundation under contract no. DMR0520651, and by the Rhode Island Science and Technology Advisory Council under grant no. RIRA 2010-26. V. S. gratefully acknowledges support from the Assistant Secretary for Energy Efficiency, United States Department of Energy, under contract no. DE-AC02-05CH11231. The authors thank Celgard Inc. for providing high rate separator samples. NR 64 TC 116 Z9 118 U1 7 U2 72 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 11 BP A1253 EP A1261 DI 10.1149/1.3489378 PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 675TH UT WOS:000283857900023 ER PT J AU Wang, DY Xiao, J Xu, W Zhang, JG AF Wang, Deyu Xiao, Jie Xu, Wu Zhang, Ji-Guang TI High Capacity Pouch-Type Li-Air Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE diffusion; discharges (electric); electrodes; electrolytes; lithium; membranes; oxygen; packaging; secondary cells ID ORGANIC ELECTROLYTE BATTERY; LI/AIR BATTERIES; NONAQUEOUS ELECTROLYTES; LITHIUM/AIR BATTERIES; LITHIUM/OXYGEN BATTERY; OPTIMIZATION; PERFORMANCE; OPERATION AB The performance of pouch-type Li-air batteries operated in ambient conditions is reported in this work. The batteries use a heat-sealable plastic membrane to function simultaneously as the package material, an O(2) diffusion membrane, and a moisture barrier. The large variation in the internal resistance of the batteries related to unstable contacts between electrodes and separators is stabilized by a modified separator that can bind the cell stack together. Cells using the modified separators show improved and repeatable discharge performance. We have also found that 1,2-dimethoxyethane (DME) as a co-solvent in the electrolyte plays an important role in increasing the discharge voltage of these pouch-type cells. However, an overly large amount of DME co-solvent in the electrolyte may lead to decreased capacity due to the eventual loss of DME through the diffusion membrane. Pouch-type Li-air batteries with the modified separator and the optimized electrolyte have demonstrated specific capacities of 2711 mAh g(-1) based on carbon weight and specific energies of 344 Wh kg(-1) based on the complete battery weight, including the package. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3414828] All rights reserved. C1 [Wang, Deyu; Xiao, Jie; Xu, Wu; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Wang, DY (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM jiguang.zhang@pnl.gov RI Deyu, Wang/J-9496-2014; OI Xu, Wu/0000-0002-2685-8684 FU U.S. Defense Advanced Research Projects Agency (DARPA); Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy [DE-AC05-76RL01830] FX This work was supported by the U.S. Defense Advanced Research Projects Agency (DARPA) and the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RL01830. NR 18 TC 43 Z9 43 U1 2 U2 46 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 7 BP A760 EP A764 DI 10.1149/1.3414828 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 603BJ UT WOS:000278182600002 ER PT J AU Wang, DY Ouyang, CY Drezen, T Exnar, I Kay, A Kwon, NH Gouerec, P Miners, JH Wang, MK Gratzel, M AF Wang, Deyu Ouyang, Chuying Drezen, Thierry Exnar, Ivan Kay, Andreas Kwon, Nam-Hee Gouerec, Pascal Miners, James H. Wang, Mingkui Graetzel, Michael TI Improving the Electrochemical Activity of LiMnPO4 Via Mn-Site Substitution SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE density functional theory; electrical conductivity; electrochemistry; electronic structure; lithium compounds; manganese compounds; secondary cells; solid solutions; stoichiometry ID RECHARGEABLE LITHIUM BATTERIES; LIFEPO4 SYNTHESIS ROUTES; CATHODE MATERIALS; PHOSPHO-OLIVINES; 1ST PRINCIPLES; ION BATTERIES; LIXMPO4 M; PERFORMANCE; IRON; CONDUCTIVITY AB HPL SA report the modification of the electrochemical performance of lithium manganese phosphate (LiMnPO4) via Mn-site bivalent substitution. Manganese (10%) is substituted with iron, nickel, magnesium, or zinc. These substituents are shown via an X-ray to form solid solutions. The choice of substituent is demonstrated to have a strong influence on the electrochemical performance. The optimum performance improvement was achieved when 10% of Fe is substituted. This is ascribed to a smaller crystallite and a higher electronic conductivity observed in this material: Presumably Fe plays a role in hindering the crystallite growth and in increasing the carrier's transportation. Electronic structures were calculated by density function theory to understand the different influences of substitute cations. C1 [Wang, Deyu; Kay, Andreas; Wang, Mingkui; Graetzel, Michael] Ecole Polytech Fed Lausanne, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland. [Ouyang, Chuying] Ecole Polytech Fed Lausanne, Chaire Phys Numer Mat Condensee, CH-1015 Lausanne, Switzerland. [Drezen, Thierry; Exnar, Ivan; Kwon, Nam-Hee; Gouerec, Pascal; Miners, James H.] Ecole Polytech Fed Lausanne, High Power Lithium HPL SA, PSA B, CH-1015 Lausanne, Switzerland. [Ouyang, Chuying] Jiangxi Normal Univ, Dept Phys, Nanchang 330022, Peoples R China. RP Wang, DY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM deyu.wang@pnl.gov RI Graetzel, Michael/G-4870-2011; Deyu, Wang/J-9496-2014; Wang, Mingkui/D-1650-2013 OI Wang, Mingkui/0000-0002-4516-2500 FU HPL SA FX The authors appreciate HPL SA for financial support on this work and meeting the publication costs of this article. NR 45 TC 87 Z9 94 U1 4 U2 96 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 2 BP A225 EP A229 DI 10.1149/1.3271112 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 538ZJ UT WOS:000273222700017 ER PT J AU Xiao, J Xu, W Wang, DY Choi, DW Wang, W Li, XL Graff, GL Liu, J Zhang, JG AF Xiao, Jie Xu, Wu Wang, Deyu Choi, Daiwon Wang, Wei Li, Xiaolin Graff, Gordon L. Liu, Jun Zhang, Ji-Guang TI Stabilization of Silicon Anode for Li-Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM SECONDARY BATTERIES; SI NEGATIVE ELECTRODES; HIGH-CAPACITY ANODES; COMPOSITE ANODE; RECHARGEABLE BATTERIES; NANODISPERSED SILICON; STRUCTURAL-CHANGES; CYCLING STABILITY; AMORPHOUS-SILICON; LI/AIR BATTERIES AB Micrometer-sized Si particles with nanopore structures were investigated as anode material for Li-ion batteries. The porous structure of Si helps accommodate the large volume variations that occur during the Li insertion/extraction processes. To improve the electronic integrity of the Si-based anode, a two-step process was utilized. First, chemical vapor deposition (CVD) was used to enhance the electronic conductivity of individual Si particles by depositing a uniform carbon coating on both the exterior surfaces and the pores. Next, the electronic contact among silicon particles was improved by adding Ketjenblack (KB) carbon, which exhibits an elastic, chainlike structure that maintains a stable electronic contact among silicon particles during cycling. Using this approach, an anode with a reversible capacity of more than 1600 mAh/g after 30 cycles was obtained. The combination of the nanopore structure, CVD-coated carbon on the Si surface, and the elastic carbon (KB) among the silicon particles provides a cost-effective approach to utilize the large micrometer-sized Si particles in Li-ion batteries. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3464767] All rights reserved. C1 [Xiao, Jie; Xu, Wu; Wang, Deyu; Choi, Daiwon; Wang, Wei; Li, Xiaolin; Graff, Gordon L.; Liu, Jun; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Xiao, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM jiguang.zhang@pnl.gov RI Wang, Wei/F-4196-2010; Choi, Daiwon/B-6593-2008; Deyu, Wang/J-9496-2014; OI Wang, Wei/0000-0002-5453-4695; Xu, Wu/0000-0002-2685-8684 FU U.S. Department of Energy; Office of Vehicle Technologies; PNNL FX We thank Zimin Nie of Pacific Northwest National Laboratory (PNNL) and Dr. Chongmin Wang of the Environmental and Molecular Science Laboratory (EMSL) of PNNL for XRD and TEM characterizations, respectively. This work was supported by the U.S. Department of Energy, Office of Vehicle Technologies, and the Laboratory Directed Research and Development (LDRD) Program at PNNL. NR 34 TC 76 Z9 80 U1 9 U2 81 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 10 BP A1047 EP A1051 DI 10.1149/1.3464767 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 643OQ UT WOS:000281306900003 ER PT J AU Xiao, J Wang, DH Xu, W Wang, DY Williford, RE Liu, J Zhang, JG AF Xiao, Jie Wang, Donghai Xu, Wu Wang, Deyu Williford, Ralph E. Liu, Jun Zhang, Ji-Guang TI Optimization of Air Electrode for Li/Air Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE carbon; electrochemical electrodes; electrochemistry; electrolytes; lithium; mesoporous materials; porosity; secondary cells ID LITHIUM/OXYGEN BATTERY AB The effects of carbon microstructure and loading on the performance of Li/air batteries were investigated. We found that the capacities of Li/air batteries were related to both the specific capacity per unit weight of the carbon source (mAh g(-1)) and the carbon locating per unit area (g cm(-2)). Therefore, the product of these two parameters [i.e., the area-specific capacity (mAh cm(-2))] was introduced to optimize the performance of the air electrode. At the fixed electrolyte amount (100 mu L/cell), the best area-specific capacity of 13.1 mAh cm(-2) was obtained at a carbon loading of 15.1 mg cm(-2). Further increase or decrease in the carbon loading led to a reduced area-specific capacity. The capacities of air electrodes increased with increasing mesopore volumes of the carbon sources. The uniformity of the pore sizes also played an important role in determining the electrochemical performances of the Li/air batteries. At fixed carbon loading and discharge rates, the capacity increased significantly with increasing electrolyte amounts. This phenomenon was explained by the formation of extra triphase regions in the air electrodes. After optimizing the electrode and electrolyte parameters, a high capacity of 1756 mAh g(-1) carbon was obtained for Li/air batteries operated in ambient oxygen pressure (0.21 atm). C1 [Xiao, Jie; Wang, Donghai; Xu, Wu; Wang, Deyu; Williford, Ralph E.; Liu, Jun; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Xiao, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM jiguang.zhang@pnl.gov RI Wang, Donghai/L-1150-2013; Deyu, Wang/J-9496-2014; OI Wang, Donghai/0000-0001-7261-8510; Xu, Wu/0000-0002-2685-8684 FU U.S. Defense Advanced Research Projects Agency; Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL) FX This work was supported by the U.S. Defense Advanced Research Projects Agency. Funding from the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL) supported the preparation of this paper. The authors thank Zimin Nie of PNNL for her help with the XRD characterization of the samples and Dr. Gordon L. Graff of PNNL for the useful suggestions on the manuscript. This paper has been approved for public release with unlimited distribution. NR 13 TC 219 Z9 235 U1 20 U2 164 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 4 BP A487 EP A492 DI 10.1149/1.3314375 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 569HI UT WOS:000275586800017 ER PT J AU Xiao, J Xu, W Wang, DY Zhang, JG AF Xiao, Jie Xu, Wu Wang, Deyu Zhang, Ji-Guang TI Hybrid Air-Electrode for Li/Air Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE carbon; carbon compounds; discharges (electric); electrochemical electrodes; hydrophobicity; lithium; manganese compounds; secondary cells; vanadium compounds ID RECHARGEABLE LITHIUM BATTERIES; NONAQUEOUS ELECTROLYTES; PERFORMANCE; CATALYST AB A hybrid air-electrode is designed to improve the energy density of Li/air batteries operating in an ambient environment. Three lithium insertion materials, MnO(2), V(2)O(5), and CF(x) (x=1.0-1.15), are mixed with activated carbon to prepare different hybrid air-electrodes used in Li/air batteries. When compared with pure carbon-based Li/air batteries, the batteries using hybrid air-electrodes demonstrate significantly improved specific capacities and energies, especially for the CF(x)-based hybrid Li/air batteries. Extremely hydrophobic CF(x) also facilitates the formation of air-flow channels in the carbon matrix and alleviates air-electrode blocking problem during the discharge process. These hybrid air-electrodes provide a promising approach to improve the energy density of Li/air batteries. C1 [Xiao, Jie; Xu, Wu; Wang, Deyu; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Xiao, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM jiguang.zhang@pnl.gov RI Deyu, Wang/J-9496-2014; OI Xu, Wu/0000-0002-2685-8684 FU Defense Advanced Research Projects Agency; Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL) FX This work was supported by the Defense Advanced Research Projects Agency. Funding from the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL) supported the preparation of this paper. The authors thank Dr. Elena Shembel of Enerize Corporation and Dr. Vilayanur V. Viswanathan of PNNL for supplying MnO2 samples and Zimin Nie of PNNL for her help in the XRD characterization of the samples. NR 17 TC 42 Z9 45 U1 3 U2 40 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP A294 EP A297 DI 10.1149/1.3280281 PG 4 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900009 ER PT J AU Xiao, J Xu, W Choi, DW Zhang, JG AF Xiao, Jie Xu, Wu Choi, Daiwon Zhang, Ji-Guang TI Synthesis and Characterization of Lithium Manganese Phosphate by a Precipitation Method SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE cathodes; crystal growth from solution; crystallisation; electrochemistry; lithium compounds; manganese compounds; nanostructured materials; nucleation; particle size; precipitation; thermal analysis ID ELECTROCHEMICAL PERFORMANCE; LIMNPO4; BATTERIES; TEMPERATURE; CATHODES; OLIVINES; LIFEPO4; SIZE AB LiMnPO(4) is synthesized from a MnPO(4)center dot H(2)O precursor precipitated via a spontaneous reaction. These MnPO(4)center dot H(2)O nanoplates react quickly with the lithium source and form a pure phase of LiMnPO(4) that has good electrochemical properties. Thermogravimetric analysis was used to determine the optimum synthesis temperature. The crystallization of LiMnPO(4) occurs before 438 degrees C. After full nucleation at 550 degrees C, the samples exhibit a discharge capacity of 115 mAh g(-1) (C/20 rate, 2.5-4.4 V) in the first cycle. The coulomb efficiency is maintained at near 100% after the first few cycles. When the synthesis temperature decreases to 350 degrees C, the particle size of LiMnPO(4) is further reduced to 10-50 nm with a reversible capacity of more than 90 mAh g(-1). For the 550 degrees C synthesized LiMnPO(4), 73% of the initial capacity was retained at the 60th cycle. After the high rate (5C) discharge, the reversible capacity of LiMnPO(4) can be recovered to nearly the original value of 110 mAh g(-1) at the C/20 rate. This precipitation method is a cost-effective approach for manufacturing high performance LiMnPO(4) cathode materials. C1 [Xiao, Jie; Xu, Wu; Choi, Daiwon; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Xiao, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM jiguang.zhang@pnl.gov RI Choi, Daiwon/B-6593-2008; OI Xu, Wu/0000-0002-2685-8684 NR 17 TC 58 Z9 61 U1 6 U2 60 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 2 BP A142 EP A147 DI 10.1149/1.3265440 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 538ZJ UT WOS:000273222700004 ER PT J AU Xu, W Canfield, NL Wang, DY Xiao, J Nie, ZM Li, XAHS Bennett, WD Bonham, CC Zhang, JG AF Xu, Wu Canfield, Nathan L. Wang, Deyu Xiao, Jie Nie, Zimin Li, Xiaohong S. Bennett, Wendy D. Bonham, Charles C. Zhang, Ji-Guang TI An Approach to Make Macroporous Metal Sheets as Current Collectors for Lithium-Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE adhesion; blending; contact resistance; copper; electrochemical electrodes; elemental semiconductors; lithium; nickel; porous materials; reduction (chemical); secondary cells; semiconductor thin films; silicon; sintering; slurries; substrates; tape casting ID ELECTROCHEMICAL PERFORMANCE; ANODE MATERIAL; HIGH-CAPACITY; COPPER FOAM; MORPHOLOGY; ELECTRODES; CU AB A simple method and approach is described to produce macroporous metal sheets as current collectors for lithium-ion batteries. This method is based on slurry blending, tape casting, sintering, and reducing of metal oxides and produces a uniform macroporous metal sheet. As an example, a macroporous copper sheet was prepared and used as the current collector for a silicon thin-film anode material. Such a porous copper substrate allows Si to have a much better adhesion, lower electrical contact resistance, higher capacity, capacity retention, and longer cycle life than on surface-roughened Cu foil and smooth Cu foil. This methodology produces very limited wastes and is also adaptable to many other materials such as Ni porous sheets at an industrial-scale production that is easy to be achieved. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3417076] All rights reserved. C1 [Xu, Wu; Canfield, Nathan L.; Wang, Deyu; Xiao, Jie; Nie, Zimin; Li, Xiaohong S.; Bennett, Wendy D.; Bonham, Charles C.; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Xu, W (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM wu.xu@pnl.gov RI Deyu, Wang/J-9496-2014; OI Xu, Wu/0000-0002-2685-8684 FU Pacific Northwest National Laboratory; Office of Vehicle Technologies of the U.S. Department of Energy FX This work was sponsored by the Laboratory Directed Research and Development Project of Pacific Northwest National Laboratory and the Office of Vehicle Technologies of the U.S. Department of Energy. NR 15 TC 19 Z9 19 U1 2 U2 54 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 7 BP A765 EP A769 DI 10.1149/1.3417076 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 603BJ UT WOS:000278182600003 ER PT J AU Xu, W Xiao, J Wang, DY Zhang, J Zhang, JG AF Xu, Wu Xiao, Jie Wang, Deyu Zhang, Jian Zhang, Ji-Guang TI Effects of Nonaqueous Electrolytes on the Performance of Lithium/Air Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE catalysts; contact angle; diffusion; electrolytes; ionic conductivity; secondary cells; solubility; viscosity ID LITHIUM/OXYGEN BATTERY; AIR BATTERIES; ADDITIVES; CATALYST AB The effects of various properties of nonaqueous electrolytes on the performance of lithium/air batteries are investigated. The performance of a lithium/air battery is determined by the number of triphase regions formed by oxygen, electrolyte, and active carbons (with catalyst). The oxygen diffusion rate through the open channels (strongly related to the polarity of the electrolyte) is several orders of magnitude larger than that through the liquid electrolyte; therefore, the electrolyte polarity is the most important factor on the performance of lithium/air batteries compared with other properties of the electrolyte, such as oxygen solubility, viscosity, and ionic conductivity. The quantity of the electrolyte added to a cell also significantly affects the discharge performance of the lithium/air battery, and a clear maximum in capacity is observed as a function of the electrolyte amount. The addition of tris(pentafluorophenyl)borane as a functional additive and cosolvent in electrolytes can help dissolve partial Li(2)O and Li(2)O(2) formed during the battery discharge process, which is beneficial to increasing the discharge capacity. However, this addition also largely reduces the contact angle and increases the electrolyte viscosity, thus decreasing the discharge capacity of the lithium/air battery. C1 [Xu, Wu; Xiao, Jie; Wang, Deyu; Zhang, Jian; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Xu, W (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM wu.xu@pnl.gov RI Deyu, Wang/J-9496-2014; OI Xu, Wu/0000-0002-2685-8684 FU Defense Advanced Research Projects Agency of the United States; PNNL Laboratory FX This work was supported by the Defense Advanced Research Projects Agency of the United States. Funding from the PNNL Laboratory Directed Research and Development Program supported the preparation of this paper. The authors are grateful for the useful discussions and comments provided by Dr. Gordon Graff at PNNL. The paper has been approved for public release and distribution is unlimited. NR 20 TC 109 Z9 116 U1 4 U2 89 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 2 BP A219 EP A224 DI 10.1149/1.3269928 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 538ZJ UT WOS:000273222700016 ER PT J AU Zhang, J Xu, W Li, XH Liu, W AF Zhang, Jian Xu, Wu Li, Xiaohong Liu, Wei TI Air Dehydration Membranes for Nonaqueous Lithium-Air Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LI/AIR BATTERIES; ELECTROLYTE; OPTIMIZATION; OPERATION AB Robust, thin-sheet membranes were prepared and tested as an O(2)-permeating moisture barrier for the operation of nonaqueous Li-air batteries in ambient air. A membrane sheet was attached onto a carbon air electrode filled with a nonaqueous Li-ion electrolyte solution to supply dry oxygen from ambient air for the electrode reaction and to mitigate potential loss of the solvent from the electrode by evaporation. The membrane was prepared by depositing an O(2)-selective coating layer on the exterior surface of a thin (similar to 50 mu m) porous metal substrate sheet. Silicalite zeolite and poly(tetrafluoroethylene) (PTFE) were used as inorganic and polymeric hydrophobic-type materials, respectively, for the membrane preparation in this work. A thin (similar to 5 mu m), dense-phase PTFE film supported on a porous metal sheet provided the best battery performance. This kind of membrane enabled the Li-air batteries with carbon black air electrodes to operate in ambient air [at 20% relative humidity (RH)] for 21 days. The specific capacity of 1022 mAh/g carbon and specific energy of 2792 Wh/kg carbon were obtained for the battery discharged to 2.0 V. The Li-air battery equipped with the selective membrane showed a much better performance in ambient air operation (20% RH) than the reference battery tested in a dry air box (1% RH). (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3430093] All rights reserved. C1 [Zhang, Jian; Xu, Wu; Li, Xiaohong; Liu, Wei] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Zhang, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM Wei.liu@pnl.gov OI Xu, Wu/0000-0002-2685-8684 FU U.S. Defense Advanced Research Projects Agency (DARPA) FX This work was supported by the U.S. Defense Advanced Research Projects Agency (DARPA). We thank the Environmental Molecular Science Laboratory (EMSL) of the Pacific Northwest National Laboratory for providing clean room work space and analytical facilities. EMSL is DOE's user facility. We also acknowledge our colleagues, Nathan Canfield, Dr. Ji-Guang Zhang, Dr. Jie Xiao, and Dr. Deyu Wang for all the help. NR 16 TC 34 Z9 37 U1 5 U2 61 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 8 BP A940 EP A946 DI 10.1149/1.3430093 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 622OP UT WOS:000279673400006 ER PT J AU Zheng, HH Liu, G Song, XY Ridgway, P Xun, SD Battaglia, VS AF Zheng, Honghe Liu, Gao Song, Xiangyun Ridgway, Paul Xun, Shidi Battaglia, Vincent S. TI Cathode Performance as a Function of Inactive Material and Void Fractions SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION BATTERIES; ELECTROCHEMICAL IMPEDANCE; COMPOSITE CATHODE; LI(NI1/3CO1/3MN1/3)O-2; INTERCALATION; SPECTROSCOPY; ELECTRODES; KINETICS; CELLS AB Li[Ni(1/3)Co(1/3)Mn(1/3)]O(2)-based laminates of approximately the same loading and of varying levels of poly(vinylidene fluoride) (PVDF) binder and acetylene black (ratio held constant) were fabricated and calendered to different porosities, with the objective to investigate performance on a volume basis. The electronic conductivity of the laminates depends strongly on the inactive material content but not significantly on porosity. Electrochemical impedance spectroscopy studies found that charge-transfer resistance with calendering varied greatly with inactive material content. When the electrode contains low levels of inactive material (2% PVDF and 1.6% carbon), calendering significantly reduced the bulk resistance of the electrode. With high levels of inactive material (8% PVDF and 6.4% carbon), charge-transfer resistance increased with increased calendering. Above a certain level, depending on the overall composition, the inactive material reduces ionic transport to the active material surface. For a plug-in hybrid electric vehicle required to go 40 miles at an average rate of 20 miles/h with a 38 kW 10 s power-pulse capability, the cell chemistry studied is energy-limited. Therefore, based on the results of this study, the cathode should be compressed to 10% porosity with a minimal amount of inactive material. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3459878] All rights reserved. C1 [Zheng, Honghe; Liu, Gao; Song, Xiangyun; Ridgway, Paul; Xun, Shidi; Battaglia, Vincent S.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Zheng, HH (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM VSBattaglia@lbl.gov RI xun, shidi/D-5679-2012 FU US DOE under the Office of Freedom CAR and Vehicles Technologies [DE-AC02-05CH11231]; Department of Science and Technology of China [2009AA03Z225863] FX This work was supported by the US DOE under the Office of Freedom CAR and Vehicles Technologies under contract no. DE-AC02-05CH11231, as part of the Batteries for Advanced Transportation Technologies Program. We also thank the Department of Science and Technology of China for the 863 project (2009AA03Z225863). NR 17 TC 33 Z9 34 U1 2 U2 53 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 10 BP A1060 EP A1066 DI 10.1149/1.3459878 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 643OQ UT WOS:000281306900005 ER PT J AU Apblett, CA Ingersoll, D Sarangapani, S Kelly, M Atanassov, P AF Apblett, Christopher A. Ingersoll, David Sarangapani, Sarang Kelly, Michael Atanassov, Plamen TI Direct Glucose Fuel Cell: Noble Metal Catalyst Anode Polymer Electrolyte Membrane Fuel Cell with Glucose Fuel SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ELECTROCATALYTIC OXIDATION; PLATINUM-ELECTRODES; BIOFUEL CELLS; NEUTRAL MEDIA; ACID; METHANOL; OXIDASE; FABRICATION; REACTIVITY; PRODUCTS AB A 1 cm(2) constant flow glucose-oxygen fuel cell has been demonstrated using noble metal catalysis. The fuel cell is based on Pt-RuO(2) anode catalysts and Pt cathode. Operation of this cell under various concentrations of glucose has revealed the presence of a region of the polarization curve in which additional polarization leads to a decrease in current rather than the expected increase. We postulate that the appearance of this polarization loss is due to the adsorption of by-product lactones to the Pt-RuO(2) surface which is not desorbed under normal operating conditions, but instead decreases the number of catalytic sites over time, resulting in lower currents. (C) 2009 The Electrochemical Society. [DOI:10.1149/1.3248004] All rights reserved. C1 [Apblett, Christopher A.; Ingersoll, David; Kelly, Michael] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Sarangapani, Sarang] ICET Inc, Norwood, MA 02062 USA. [Atanassov, Plamen] Univ New Mexico, Albuquerque, NM 87131 USA. RP Apblett, CA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM caapble@sandia.gov RI Atanassov, Plamen/G-4616-2011 NR 28 TC 15 Z9 15 U1 1 U2 22 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 1 BP B86 EP B89 DI 10.1149/1.3248004 PG 4 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 527SQ UT WOS:000272387200029 ER PT J AU Bendert, JC Papadias, DD Myers, DJ AF Bendert, James C. Papadias, Dionissios D. Myers, Deborah J. TI The Effect of Na+ Impurities on the Conductivity and Water Uptake of Nafion 115 Polymer Electrolyte Fuel Cell Membranes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID PERFLUOROSULFONATED IONOMER MEMBRANES; ALKALI-METAL CATIONS; TRANSPORT CHARACTERISTICS; IMPEDANCE SPECTROSCOPY; DIFFUSION-COEFFICIENTS; COMPOSITE MEMBRANES; PROTON CONDUCTIVITY; ION; SORPTION; H+ AB Water uptake and ionic conductivities are reported for Nafion 115 membranes as functions of water activity and percentage of sulfonic groups occupied by sodium impurities. Water content was determined gravimetrically under liquid hydration and at 100, 75.3, and 11.3% relative humidity (RH). Water content exponentially decreased from the H+-form membrane water uptake isotherm to the Na+-form isotherm when hydrated by water vapor. Ninety percent of this decrease is reached at a substitution level of 0.2Na(+)/SO3-. Water uptake under liquid water hydration decreased more gradually, only 50% to completion at 0.2Na(+)/SO3-. Four-probe conductivity testing of Nafion 115 membranes, normalized against dry dimensions, revealed that although hydration decreases immediately with the introduction of sodium impurities, ionic conductivity at 100% RH remains constant up to 0.15Na(+)/SO3-. Above 0.15Na(+)/SO3- an exponential decrease in ionic conductivity is observed with higher sodium content. The dependence of ionic conductivity on water content is also reported for sodium contents of 0, 0.27, 0.62 and 1Na(+)/SO3-. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3479188] All rights reserved. C1 [Bendert, James C.; Papadias, Dionissios D.; Myers, Deborah J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Bendert, JC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM papadias@anl.gov FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357] FX This research was conducted at Argonne National Laboratory, a U.S. Department of Energy, Office of Science Laboratory, operated by UChicago Argonne, LLC, under contract no. DE-AC02-06CH11357. This research was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Program. NR 23 TC 8 Z9 8 U1 0 U2 11 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 10 BP B1486 EP B1490 DI 10.1149/1.3479188 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 643OQ UT WOS:000281306900036 ER PT J AU Brinkman, KS Takamura, H Tuller, HL Iijima, T AF Brinkman, K. S. Takamura, H. Tuller, H. L. Iijima, T. TI The Oxygen Permeation Properties of Nanocrystalline CeO2 Thin Films SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID POLYCRYSTALLINE CERIUM OXIDE; ELECTRICAL-CONDUCTIVITY; SURFACE EXCHANGE; VAPOR-DEPOSITION; IONIC-CONDUCTION; DOPED CERIA; MEMBRANES; KINETICS; DEFECT AB The measurement of oxygen flux across nanocrystalline cerium oxide (CeO2) thin films at intermediate temperature (650-800 degrees C) is presented. Porous ceria support substrates were fabricated by sintering with carbon additions. The final dense film was deposited from an optimized sol-gel solution resulting in a mean grain size of 50 nm, which displayed oxygen flux values of up to 0.014 mu mol/cm(2) s over the oxygen partial pressure range from air to helium gas used in the measurement at 800 degrees C. The oxygen flux characteristics confirm mixed ionic and electronic conductivities in nanocrystalline ceria films and demonstrate the role of size dependent materials properties as a design parameter in functional membranes for oxygen separation. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3503519] All rights reserved. C1 [Brinkman, K. S.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Takamura, H.] Tohoku Univ, Grad Sch Engn, Dept Mat Sci, Sendai, Miyagi 9808579, Japan. [Tuller, H. L.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Iijima, T.] Natl Inst Adv Ind Sci & Technol, Res Ctr Hydrogen Ind Use & Storage, Tsukuba, Ibaraki 3058565, Japan. RP Brinkman, KS (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM kyle.brinkman@srnl.doe.gov RI Takamura, Hitoshi/B-9514-2014; OI Takamura, Hitoshi/0000-0002-4841-4582; Brinkman, Kyle/0000-0002-2219-1253 FU Japanese Society for the Promotion of Science (JSPS); DOE-BES [DE SC0002633]; U.S. Department of Energy [DE-AC09-08SR22470] FX K.S.B. acknowledges the Department of Energy Basic Energy Sciences (DOE-BES) Engineering Frontier Research Center, "Heterogeneous Functional Materials Center (HeteroFoaM)" for support related to size dependent flux calculations for membrane separation. H.T., K.S.B., and T.I. acknowledges the Japanese Society for the Promotion of Science (JSPS), and H.L.T. acknowledges DOE-BES (under DE SC0002633) for funding support. This document was prepared in conjunction with work accomplished under Contract no. DE-AC09-08SR22470 with the U.S. Department of Energy. NR 36 TC 6 Z9 8 U1 1 U2 25 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 12 BP B1852 EP B1857 DI 10.1149/1.3503519 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 676SH UT WOS:000283938300031 ER PT J AU Brosha, EL Rockward, T Uribe, FA Garzon, FH AF Brosha, Eric L. Rockward, Tommy Uribe, Francisco A. Garzon, Fernando H. TI Measurement of H2S Crossover Rates in Polymer Fuel Cell Membranes Using an Ion-Probe Technique SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID PEMFC PERFORMANCE; HYDROGEN; AMMONIA AB A sulfide antioxidant buffer solution was used to trap and concentrate trace quantities of H2S that permeated through 50 cm(2) samples of fuel cell Nafion 117, 212, and 112 membranes using a H2S partial pressure difference up to 1000 ppm at room temperature. Experiments were conducted between 24 and 48 h to achieve sulfide ion concentrations high enough to be determined accurately by subsequent titration with Pb(NO3)(2). In contrast to previous work, a special H2S mixing system was employed to achieve reproducible delivery of H2S concentrations throughout each experiment. The calculated rates of H2S crossover, normalized for membrane area, thickness, and differential PH2S varied from as low as 7.58 x 10(-10) to 4.65 x 10(-9) g/s atm cm depending on the type of Nafion sample and humidity conditions. Even low levels of humidification of the membrane and gases (saturated at 25 degrees C) increased the crossover rate of H2S in the Nafion materials. H2S permeation through the electrolyte membrane negatively impacts the oxygen reduction rate occurring on the cathode and possibly causes an irreversible decrease in the overall fuel cell performance. (C) 2009 The Electrochemical Society. [DOI:10.1149/1.3258285] All rights reserved. C1 [Brosha, Eric L.; Rockward, Tommy; Uribe, Francisco A.; Garzon, Fernando H.] Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, Los Alamos, NM 87545 USA. RP Brosha, EL (reprint author), Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, MPA-11, Los Alamos, NM 87545 USA. EM brosha@lanl.gov FU U.S. DOE EERE Hydrogen, Fuel Cell and Infrastructure Technologies program FX The authors acknowledge the support of the U.S. DOE EERE Hydrogen, Fuel Cell and Infrastructure Technologies program. NR 27 TC 3 Z9 3 U1 3 U2 10 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 1 BP B180 EP B186 DI 10.1149/1.3258285 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 527SQ UT WOS:000272387200044 ER PT J AU Chou, YS Stevenson, JW Choi, JP AF Chou, Yeong-Shyung Stevenson, Jeffry W. Choi, Jung-Pyung TI Alkali Effect on the Electrical Stability of a Solid Oxide Fuel Cell Sealing Glass SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE ageing; bonds (chemical); crystal microstructure; electrical resistivity; glass; seals (stoppers); solid oxide fuel cells; surface chemistry ID CERAMIC SEALANTS; INTERCONNECT; TECHNOLOGY AB An alkaline-earth silicate (Sr-Ca-Y-B-Si) sealing glass with varying K(2)O content (2-5 mol %) was developed and evaluated for solid oxide fuel cell (SOFC) sealing applications. Two metallic interconnect plates were sealed with the glass and tested for electrical stability in a dual environment at elevated temperatures under a dc loading of 0.7 V. The metallic interconnect material, a ferritic stainless steel, was tested in the as-received state and after surface aluminization. The isothermal aging results showed stable electrical resistivity at 850 degrees C for similar to 600 to 800 h for all the sealing glasses, with or without K(2)O. The electrical resistivities at 850 degrees C were several orders of magnitude higher than the typical SOFC stack components. However, the glass with high alkali content (5%) showed excessive interfacial reaction, which resulted in debonding from both the as-received and the aluminized steel. Interfacial microstructures were characterized and possible reactions were discussed. C1 [Chou, Yeong-Shyung; Stevenson, Jeffry W.; Choi, Jung-Pyung] Pacific NW Natl Lab, Energy & Efficiency Div, Richland, WA 99354 USA. RP Chou, YS (reprint author), Pacific NW Natl Lab, Energy & Efficiency Div, K2-44, Richland, WA 99354 USA. EM yeong-shyung.chou@pnl.gov FU U.S. Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program; U.S. Department of Energy [DE-AC06-76RLO 1830] FX The authors thank S. Carlson for SEM sample preparation and J. Coleman for SEM analysis. This work was funded by the U.S. Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program. The authors also thank Wayne Surdoval and Briggs White from NETL for helpful discussions. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract no. DE-AC06-76RLO 1830. NR 21 TC 10 Z9 10 U1 1 U2 6 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP B348 EP B353 DI 10.1149/1.3275744 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900026 ER PT J AU Delacourt, C Ridgway, PL Newman, J AF Delacourt, Charles Ridgway, Paul L. Newman, John TI Mathematical Modeling of CO2 Reduction to CO in Aqueous Electrolytes I. Kinetic Study on Planar Silver and Gold Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID POTASSIUM HYDROGEN CARBONATE; LOW PROTON AVAILABILITY; ELECTROCHEMICAL REDUCTION; METAL-ELECTRODES; PULSED ELECTROREDUCTION; HOMOGENEOUS REACTION; FINITE RATES; DIOXIDE; MEDIA; MECHANISM AB Experimental data for CO2 (and H2O) reduction to CO (and H-2) on flat gold and silver electrodes in KHCO3 and NaClO4 aqueous electrolytes and at room temperature are analyzed using a steady-state mathematical model. Rate constants and charge transfer coefficients for CO2 and H2O reduction reactions are derived from the experimental data, assuming that the rate-determining steps for CO2 and H2O reduction reactions are the formation of CO2 center dot- and H-center dot radicals adsorbed at the electrode surface on both metal electrodes, respectively. It is found that CO2 reduction to CO is positively shifted by similar to 370 mV on gold as compared to silver, while hydrogen evolution is positively shifted by only similar to 110 mV. This explains why higher CO current efficiencies are obtained on gold (similar to 90% for gold as compared to only similar to 68% for silver in potassium bicarbonate). The current fade for CO evolution at low electrode potential is related to the current increase for hydrogen evolution, which yields a high pH increase and CO2 concentration decrease at the electrode surface. Finally, an analysis of data for various CO2 partial pressures in equilibrium with the electrolyte is performed, in which the effect of acid-base reactions coupled with the CO evolution reaction is accounted for. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3502532] All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Delacourt, C (reprint author), Univ Picardie, CNRS, Lab Reactiv & Chim Solides, UMR 6007, 33 Rue St Leu, F-80039 Amiens, France. EM charles.delacourt@u-picardie.fr; newman@newman.cchem.berkeley.edu RI Newman, John/B-8650-2008 OI Newman, John/0000-0002-9267-4525 FU Helios Solar Energy Research Center [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory FX The authors gratefully acknowledge G. Mariansky, N. Taksatorn, T. Pica, and D. Bhatnagar for help in the experiments as well as V. Battaglia, J. Kerr, V. Srinivasan, A. Weber, P. Ross, and R. Kostecki for helpful discussions. This work was funded by the Helios Solar Energy Research Center, which is supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under contract no. DE-AC02-05CH11231, and by Lawrence Berkeley National Laboratory Directed Research and Development funds. NR 46 TC 21 Z9 21 U1 9 U2 57 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 12 BP B1902 EP B1910 DI 10.1149/1.3502532 PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 676SH UT WOS:000283938300038 ER PT J AU Delacourt, C Newman, J AF Delacourt, Charles Newman, John TI Mathematical Modeling of CO2 Reduction to CO in Aqueous Electrolytes II. Study of an Electrolysis Cell Making Syngas (CO + H-2) from CO2 and H2O Reduction at Room Temperature SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID POTASSIUM HYDROGEN CARBONATE; ELECTROCHEMICAL REDUCTION; METAL-ELECTRODES; PULSED ELECTROREDUCTION; DIOXIDE; AG; HYDROCARBONS; TEMPERATURE; TRANSPORT; MEMBRANES AB A cell design for CO2 (and H2O) reduction to CO (and H-2), similar to a proton-exchange-membrane fuel cell but with a silver or gold catalyst at the cathode and a pH buffer layer (aqueous KHCO3) between the cathode catalyst layer and the membrane, is evaluated. The cell can operate at a CO current density as high as -135 mA/cm(2) (on supported Au catalyst). The general framework for treating equilibrated reactions and equilibrated interfacial mass transfer in a multiphase medium is derived and used to set forth a mathematical model of the electrolysis cell. At low current density, the model accounts for the experimental data pretty well, using rate constant values obtained on flat Ag and Au electrodes. The model is further used to understand some of the cell features, such as the effect of CO2 partial pressure in the cathode gas channel and KHCO3 concentration in the buffer layer, the resistance increase and the CO efficiency decrease at high current density, and the decay in CO efficiency upon operation. Finally, the model is used to predict the behavior of a cell design based on a porous anion-exchange membrane instead of the aqueous buffer layer. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3502533] All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Delacourt, C (reprint author), Univ Picardie Jules Verne, CNRS, Lab Reactiv & Chim Solides, UMR 6007, 33 Rue St Leu, F-80039 Amiens, France. EM charles.delacourt@u-picardie.fr; newman@newman.cchem.berkeley.edu RI Newman, John/B-8650-2008 OI Newman, John/0000-0002-9267-4525 FU Helios Solar Energy Research Center [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory FX The authors gratefully acknowledge P. Ridgway, G. Mariansky, and N. Taksatorn for help in the experiments, as well as V. Battaglia, J. Kerr, V. Srinivasan, A. Weber, P. Ross, R. Kostecki, and N. Craig for helpful discussions. This work was funded by the Helios Solar Energy Research Center, which is supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under contract no. DE-AC02-05CH11231, and by Lawrence Berkeley National Laboratory Directed Research and Development funds. NR 28 TC 15 Z9 15 U1 7 U2 43 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 12 BP B1911 EP B1926 DI 10.1149/1.3502533 PG 16 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 676SH UT WOS:000283938300039 ER PT J AU Gallagher, KG Yushin, G Fuller, TF AF Gallagher, Kevin G. Yushin, Gleb Fuller, Thomas F. TI The Role of Nanostructure in the Electrochemical Oxidation of Model-Carbon Materials in Acidic Environments SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; TEMPERATURE FUEL-CELLS; SURFACE-CHEMISTRY; PHOSPHORIC-ACID; CORROSION; NANOTUBES; BLACK; ELECTRODES; GRAPHITE; DIFFRACTION AB Carbon is ubiquitous in electrochemical energy devices and may exist in varied forms ranging from crystalline or amorphous to novel nanostructures based on a few sheets of graphene. The electrochemical oxidation of carbon results in the performance degradation of the electrochemical device. A study on the structure-reactivity relationship of the electrochemical oxidation of graphene-based carbon materials (carbon black, carbon onions, multiwalled nanotubes, and exfoliated graphite platelets) is presented. High resolution transmission electron microscopy, X-ray diffraction, elemental analysis, and N(2) adsorption were used to characterize the materials tested. Both liquid half-cell tests and proton exchange membrane fuel cell tests with inline carbon dioxide analysis were used to study the electrochemical behavior. The electrochemical oxidation of 10 seemingly disparate carbon materials was separated into two distinct mechanisms. Both mechanisms approach an 80% current efficiency for carbon dioxide formation. Iron and sulfur impurities are insignificant controlling factors. The difference between the two mechanisms is tentatively attributed to the degree of interlayer interaction between graphene sheets. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3374662] All rights reserved. C1 [Gallagher, Kevin G.; Fuller, Thomas F.] Georgia Inst Technol, Georgia Tech Res Inst, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Yushin, Gleb] Georgia Inst Technol, Georgia Tech Res Inst, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Fuller, Thomas F.] Georgia Inst Technol, Georgia Tech Res Inst, Ctr Innovat Fuel Cell & Battery Technol, Atlanta, GA 30332 USA. RP Gallagher, KG (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kevin.gallagher@anl.gov RI Fuller, Thomas/D-5534-2009; Yushin, Gleb/B-4529-2013 OI Yushin, Gleb/0000-0002-3274-9265 FU UTC Power of South Windsor, CT FX We gratefully acknowledge the financial support from UTC Power of South Windsor, CT. Tim Patterson and T. T. Aindows of UTC Power are thanked for their assistance in obtaining the XC-HT and TEM images. We acknowledge Lichun Zhang of the University of Connecticut, who performed the TEM imaging. Arkema and NanoBlox are acknowledged for supplying their respective carbon samples. NR 59 TC 23 Z9 23 U1 1 U2 38 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 6 BP B820 EP B830 DI 10.1149/1.3374662 PG 11 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 590WX UT WOS:000277260200027 ER PT J AU Gostick, JT Ioannidis, MA Pritzker, MD Fowler, MW AF Gostick, Jeff T. Ioannidis, Marios A. Pritzker, Mark D. Fowler, Michael W. TI Impact of Liquid Water on Reactant Mass Transfer in PEM Fuel Cell Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE electrochemical electrodes; hydrophobicity; mass transfer; percolation; proton exchange membrane fuel cells; water ID GAS-DIFFUSION LAYERS; RESOLUTION NEUTRON-RADIOGRAPHY; 2-PHASE FLOW PHENOMENA; MICROPOROUS LAYER; PORE-NETWORK; CAPILLARY-PRESSURE; IMAGING PART; PHASE-CHANGE; TRANSPORT; VISUALIZATION AB The breakthrough conditions (capillary pressure and liquid water saturation) in a fibrous gas diffusion medium (GDM) used in polymer electrolyte membrane (PEM) fuel cell electrodes have been studied experimentally by two independent techniques and numerically by pore network modeling. Experiments show that treatment of the GDMs with a hydrophobic polymer coating reduces the water saturation at a breakthrough by 50%. Invasion percolation modeling is employed to simulate the breakthrough process and to determine mass-transfer rates through the partially saturated network. This model shows that the water saturation at breakthrough is drastically reduced when a microporous layer (MPL) is incorporated into the GDM, agreeing with experiments. However, the simulations yield limiting currents significantly higher than those observed in practice whether or not an MPL is present. Further calculations to include the contribution of condensation to water saturation within the GDM also result in unrealistically high limiting currents and suggest that mass-transfer resistance in the catalyst layer that is not included in the model plays an important role. If condensation is the principal mode for water accumulation within the GDM, simulations show that the MPL has only a small impact on liquid water distribution and does not improve performance, contrary to expectation. C1 [Gostick, Jeff T.; Ioannidis, Marios A.; Pritzker, Mark D.; Fowler, Michael W.] Univ Waterloo, Dept Chem Engn, Waterloo, ON N2L 3G1, Canada. RP Gostick, JT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM pritzker@uwaterloo.ca FU Natural Science and Engineering Research Council of Canada (NSERC) FX The authors thank the Natural Science and Engineering Research Council of Canada (NSERC) for financial support throughout the course of this project. NR 47 TC 28 Z9 28 U1 1 U2 17 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 4 BP B563 EP B571 DI 10.1149/1.3291977 PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 569HI UT WOS:000275586800041 ER PT J AU Grew, KN Chu, YS Yi, J Peracchio, AA Izzo, JR Hwu, Y De Carlo, F Chiu, WKS AF Grew, Kyle N. Chu, Yong S. Yi, Jaemock Peracchio, Aldo A. Izzo, John R., Jr. Hwu, Yeukuang De Carlo, Francesco Chiu, Wilson K. S. TI Nondestructive Nanoscale 3D Elemental Mapping and Analysis of a Solid Oxide Fuel Cell Anode SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LATTICE BOLTZMANN-METHOD; MONTE-CARLO SIMULATIONS; RAY COMPUTED-TOMOGRAPHY; 3-DIMENSIONAL RECONSTRUCTION; COMPOSITE ELECTRODES; BOUNDARY-CONDITIONS; MASS DIFFUSION; GAS-TRANSPORT; SOFC ANODES; MICROSTRUCTURE AB Present solid oxide fuel cells (SOFCs) use complex materials to provide (i) sufficient stability and support, (ii) electronic, ionic, and mass transport, and (iii) electrocatalytic activity. However, there is a limited quantitative understanding of the effect of the SOFC's three dimensional (3D) nano/microstructure on electronic, ionic, and mass-transfer-related losses. Here, a nondestructive tomographic imaging technique at 38.5 nm spatial resolution is used along with numerical models to examine the phase and pore networks within an SOFC anode and to provide insight into the heterogeneous microstructure's contributions to the origins of transport-related losses. The microstructure produces substantial localized structure-induced losses, with approximately 50% of those losses arising from phase cross-sectional diameters of 0.2 mu m or less. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3355957] All rights reserved. C1 [Grew, Kyle N.; Peracchio, Aldo A.; Izzo, John R., Jr.; Chiu, Wilson K. S.] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. [Chu, Yong S.; Yi, Jaemock; De Carlo, Francesco] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Hwu, Yeukuang] Acad Sinica, Inst Phys, Taipei 115, Taiwan. RP Grew, KN (reprint author), Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. EM wchiu@engr.uconn.edu RI Grew, Kyle/K-3982-2013 OI Grew, Kyle/0000-0002-1645-3835 FU Army Research Office Young Investigator Program [46964-CH-YIP]; National Science Foundation [CBET-0828612]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001061, DE-AC02-06CH11357]; ASEE National Defense Science and Engineering Graduate Fellowship program FX The authors K.N.G., A.A.P., J.R.I., and W.K.S.C. gratefully acknowledge the financial support from the Army Research Office Young Investigator Program (award 46964-CH-YIP), the National Science Foundation (award CBET-0828612), the Energy Frontier Research Center on Science Based Nano-Structure Design and Synthesis of Heterogeneous Functional Materials for Energy Systems funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (award DE-SC0001061), and the ASEE National Defense Science and Engineering Graduate Fellowship program. The authors thank Adaptive Materials, Inc. for the SOFC samples. 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 69 TC 89 Z9 89 U1 3 U2 33 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 6 BP B783 EP B792 DI 10.1149/1.3355957 PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 590WX UT WOS:000277260200022 ER PT J AU Hickner, MA Siegel, NP Chen, KS Hussey, DS Jacobson, DL AF Hickner, M. A. Siegel, N. P. Chen, K. S. Hussey, D. S. Jacobson, D. L. TI Observations of Transient Flooding in a Proton Exchange Membrane Fuel Cell Using Time-Resolved Neutron Radiography SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LIQUID WATER; NUMERICAL-SIMULATION; ACCUMULATION; INSTABILITY; PROFILES; DROPLET; MODELS; PEFC AB The generation and transport of water in both liquid and gas phases during device operation are important areas to understand both steady state and transient performance of proton exchange membrane fuel cells. Localized concentrations of liquid water within the cell can cause flooding, which leads to decreases in cell performance, fuel starvation, degradation, or, in extreme cases, collapse of cell output. A variety of experimental and simulation techniques have been used to elucidate flooding events; yet, a comprehensive understanding of what leads to flooding and the specific details of how flooding affects fuel cell performance, especially during transient operation, have not been completely developed. The work reported here couples direct observations of liquid water flooding, primarily in the gas flow channel, with measurements of cell performance, outlet temperature, and outlet dew point during a step change in current density. Liquid water buildup and water slug dynamics were monitored with the temperature and electrical performance of the cell in real time. The size of the water slugs was connected to the cell performance to illustrate how the liquid water influences cell operation and how the conditions of the cathode gas flow control the liquid water content of the cell. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3250864] All rights reserved. C1 [Hickner, M. A.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Siegel, N. P.] Sandia Natl Labs, Energy Resources & Syst Anal Ctr, Albuquerque, NM 87185 USA. [Chen, K. S.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. [Hussey, D. S.; Jacobson, D. L.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Hickner, MA (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM mah49@psu.edu FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC0494AL85000]; Sandia National Laboratories' Laboratory Directed Research and Development (LDRD) program; Penn State Institutes of Energy and the Environment; Penn State Materials Research Institute; U.S. Department of Commerce; NIST Ionizing Radiation Division; Director's Office of NIST; NIST Center for Neutron Research; U.S. Department of Energy [DE-AI01-01EE50660] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the U. S. Department of Energy's National Nuclear Security Administration under contract DE-AC0494AL85000. This work was supported by Sandia National Laboratories' Laboratory Directed Research and Development (LDRD) program, the Penn State Institutes of Energy and the Environment, the Penn State Materials Research Institute, the U.S. Department of Commerce, the NIST Ionizing Radiation Division, the Director's Office of NIST, the NIST Center for Neutron Research, and the U.S. Department of Energy through interagency agreement no. DE-AI01-01EE50660. NR 24 TC 17 Z9 17 U1 1 U2 10 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 1 BP B32 EP B38 DI 10.1149/1.3250864 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 527SQ UT WOS:000272387200022 ER PT J AU Jiang, FM Wang, CY Chen, KS AF Jiang, Fangming Wang, Chao-Yang Chen, Ken S. TI Current Ramping: A Strategy for Rapid Start-up of PEMFCs from Subfreezing Environment SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE current density; electrochemical electrodes; freezing; proton exchange membrane fuel cells ID ELECTROLYTE FUEL-CELLS; COLD START; ICE FORMATION; CATALYST LAYER; PEFC; -20-DEGREES-C; WATER; TEMPERATURES; OPERATION; STORAGE AB A rapid start-up of proton exchange membrane fuel cells (PEMFCs) from subzero temperatures is essential for fuel cell vehicle commercialization. We explore the limits of the start-up time and the required cell material properties and operating conditions using an experimentally validated model. A linear class of current-ramping protocols is proposed and optimized for a rapid cold start. A PEMFC with a standard cell thermal mass of 0.4 J/cm(2) K starting from -30 degrees C is of primary interest and is extensively studied in this work. Either a small initial current density (e.g., 100 mA/cm(2)) combined with an intermediate ramping rate or a relatively large initial current density (e.g., 200 mA/cm(2)) in combination with a small ramping rate can lead to a successful self-start if the membrane electrode assembly (MEA) is sufficiently dry before the start-up. However, a current-ramping cold start using an insufficient initial current density (e.g., < 50 mA/cm(2)) shuts down with any ramping rate. A more rapid self-start can be achieved by increasing the initial current density, which is mainly limited by the initial water content in the MEA. Hence, keeping the MEA mildly hydrated before the cold start can be favorable to a rapid start-up of a PEMFC using current ramping. This strategy is particularly effective for the rapid start-up of next-generation PEMFCs with reduced thermal mass. A PEMFC with a thermal mass of 0.2 J/cm(2) K and a relatively wet MEA can be successfully started from -30 degrees C in about 5 s by applying an initial current density of as high as 1 A/cm(2). C1 [Jiang, Fangming; Wang, Chao-Yang] Penn State Univ, Electrochem Engine Ctr, University Pk, PA 16802 USA. [Jiang, Fangming; Wang, Chao-Yang] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Chen, Ken S.] Sandia Natl Labs, Engn Sci Ctr, Nanoscale & React Proc Dept, Albuquerque, NM 87185 USA. RP Jiang, FM (reprint author), Penn State Univ, Electrochem Engine Ctr, University Pk, PA 16802 USA. EM cxw31@psu.edu RI Wang, Chao-Yang/C-4122-2009 FU Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was partially supported by 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. NR 21 TC 18 Z9 18 U1 1 U2 12 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP B342 EP B347 DI 10.1149/1.3274820 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900025 ER PT J AU Kim, YS Pivovar, BS AF Kim, Yu Seung Pivovar, Bryan S. TI The Membrane-Electrode Interface in PEFCs IV. The origin and implications of interfacial resistance SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID METHANOL FUEL-CELLS; PROTON-EXCHANGE MEMBRANE; ELECTROOSMOTIC DRAG COEFFICIENT; POLYMER ELECTROLYTE; WATER ELECTROLYSIS; GRAFTED MEMBRANES; PERFORMANCE; ASSEMBLIES; TRANSPORT; COPOLYMERS AB Membrane-electrode interfacial resistance and deterioration over time was investigated using a series of sulfonated poly(arylene ether) membranes and Nafion. Dimensional mismatch due to swelling/deswelling, wetting/adhesion, and water transport mismatch between the electrodes and the polymer electrolyte membrane were all investigated as potential root causes of membrane-electrode interfacial resistance and durability. The data presented from a large number of diverse polymers strongly support dimensional mismatch as the primary cause of interfacial failure. Extended direct methanol fuel cell life tests, up to 3000 h, showed high performance and good durability for membranes with low water uptake. Polymer electrolyte membranes with similar to 35 vol % water uptake were the best in this study. However, a low water uptake coating layer greatly improved the performance and durability of a higher water uptake polymer electrolyte membrane. This study demonstrates the potential importance of the membrane-electrode interface on fuel cell performance and durability and provides a basis for implementing polymer electrolyte membranes effectively in high performance polymer electrolyte fuel cells (PEFCs). (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3481581] All rights reserved. C1 [Kim, Yu Seung] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Pivovar, Bryan S.] Hydrogen Technol & Syst Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Kim, YS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM bryan_pivovar@nrel.gov FU U.S. Department of Energy [DE-AC52-06NA25396]; Los Alamos National Laboratory; National Renewable Energy Laboratory [DE-AC36-08-GO28308] FX The PAE copolymers tested in this study were supplied by Professor Jim McGrath, Virginia Tech and Dr. Michael Guiver, Canada NRC. We thank Mahlon Wilson and Thomas Springer for their insights into delamination and observations regarding the importance of membrane-electrode interface based on unpublished studies using gas diffusion electrodes. This work was supported by the U.S. Department of Energy through the Fuel Cell Technologies Program under contract no. DE-AC52-06NA25396 with Los Alamos National Laboratory and contract no. DE-AC36-08-GO28308 with the with the National Renewable Energy Laboratory. NR 60 TC 15 Z9 15 U1 4 U2 17 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 11 BP B1616 EP B1623 DI 10.1149/1.3481581 PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 675TH UT WOS:000283857900041 ER PT J AU Kim, YS Pivovar, BS AF Kim, Yu Seung Pivovar, Bryan S. TI The Membrane-Electrode Interface in PEFCs III. The Effect of Methanol Concentration in DMFCs SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID PROTON-EXCHANGE MEMBRANES; FUEL-CELL; ABSORBED METHANOL; WATER; PERFORMANCE; CONDUCTIVITY; COPOLYMERS; MIXTURES AB The effect of methanol feed concentration on the membrane-electrode interface was investigated in polymer electrolyte fuel cells (PEFCs). The membrane-electrode interfacial resistance in direct methanol fuel cellls (DMFCs) has a strong dependence on methanol concentration with increasing methanol concentration leading to higher interfacial resistances for methanol concentrations up to 5.0 M for two distinctly different polymer systems: Nafion (1100 equivalent weight) and a sulfonated poly(arylene ether)sulfone (BPSH-30). Initial interfacial resistances are correlated with resistance increases and performance losses during fuel cell life tests. The results from this study agree with our previous studies on the membrane-electrode interface and suggest that high methanol concentrations can be used to probe interfacial failure in an accelerated aging capacity. Conductivity of Nafion has a high dependence on methanol concentration, while conductivity of BPSH-30 is almost independent of methanol concentration. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3481580] All rights reserved. C1 [Kim, Yu Seung] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Pivovar, Bryan S.] Natl Renewable Energy Lab, Dept Hydrogen Technol, Golden, CO 80401 USA. [Pivovar, Bryan S.] Natl Renewable Energy Lab, Syst Ctr, Golden, CO 80401 USA. RP Kim, YS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM bryan_pivovar@nrel.gov FU U.S. Department of Energy through the Office of Hydrogen, Fuel Cells, and Infrastructure Technology [DE-AC52-06-NA25396]; Los Alamos National Laboratory; National Renewable Energy Laboratory [DE-AC36-08-GO28308] FX The BPSH copolymers tested in this study was supplied by Hydrosize Technologies, Inc. (Raleigh, NC) based on procedures developed at Virginia Tech. This work was supported by the U.S. Department of Energy through the Office of Hydrogen, Fuel Cells, and Infrastructure Technology Program under contract no. DE-AC52-06-NA25396 with the Los Alamos National Laboratory and DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 21 TC 7 Z9 7 U1 3 U2 5 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 11 BP B1608 EP B1615 DI 10.1149/1.3481580 PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 675TH UT WOS:000283857900040 ER PT J AU Kim, YS Einsla, M McGrath, JE Pivovar, BS AF Kim, Yu Seung Einsla, Melinda McGrath, James E. Pivovar, Bryan S. TI The Membrane-Electrode Interface in PEFCs II. Impact on Fuel Cell Durability SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID RANDOM STATISTICAL COPOLYMERS; PROTON-EXCHANGE MEMBRANES; DIRECT POLYMERIZATION; METHANOL; PERFORMANCE AB The impact of the membrane-electrode interface on fuel cell durability was investigated in polymer electrolyte fuel cells (PEFCs). Cells using disulfonated poly(arylene ether) copolymer (BPSH) membranes exhibited greater performance loss than a cell using Nafion after 700 h of direct methanol fuel cell (DMFC) testing. Additionally, the performance loss and cell resistance within the BPSH family of copolymers increased with increasing degree of disulfonation. Membrane characterization using (1)H NMR, potentiometric titration, intrinsic viscosity, water uptake, and proton conductivity showed minimal impact from chemical/physical changes. Fuel cell performance degradation scaled well with initial membrane-electrode interfacial resistance, suggesting that the membrane-electrode interface was an important contributor to DMFC durability. These results are of particular interest for alternative proton exchange membranes where interfacial compatibility with electrodes is a critical, unresolved issue. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3481577] All rights reserved. C1 [Kim, Yu Seung; Einsla, Melinda] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [McGrath, James E.] Virginia Polytech Inst & State Univ, Dept Chem, Blacksburg, VA 24061 USA. [McGrath, James E.] Virginia Polytech Inst & State Univ, Mat Res Inst, Blacksburg, VA 24061 USA. [Pivovar, Bryan S.] Natl Renewable Energy Lab, Dept Hydrogen Technol, Golden, CO 80401 USA. [Pivovar, Bryan S.] Natl Renewable Energy Lab, Syst Ctr, Golden, CO 80401 USA. RP Kim, YS (reprint author), Los Alamos Natl Lab, MPA 11,MS D429, Los Alamos, NM 87545 USA. EM bryan_pivovar@nrel.gov NR 19 TC 16 Z9 16 U1 2 U2 19 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 11 BP B1602 EP B1607 DI 10.1149/1.3481577 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 675TH UT WOS:000283857900039 ER PT J AU Krumpelt, M Cruse, TA Ingram, BJ Routbort, JL Wang, SL Salvador, PA Chen, G AF Krumpelt, Michael Cruse, Terry A. Ingram, Brian J. Routbort, Jules L. Wang, Shanling Salvador, Paul A. Chen, Gang TI The Effect of Chromium Oxyhydroxide on Solid Oxide Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE chromium compounds; diffusion; electrochemical electrodes; electrochemistry; lanthanum compounds; reduction (chemical); solid oxide fuel cells; X-ray diffraction ID METALLIC INTERCONNECT; COMPOSITE CATHODE; VAPORIZATION; ALLOYS; AIR AB Hexavalent chromium species like the oxyhydroxide, CrO(2)(OH)(2), or hexoxide, CrO(3), are electrochemically reduced to Cr(2)O(3) in solid oxide fuel cells and adversely affect the cell operating potentials. Using a narrowly focused beam from the Advanced Photon Source, such chromium oxide deposits were unequivocally identified in the active region of the cathode by X-ray diffraction, suggesting that the triple phase boundaries were partially blocked. Under fuel cell operating conditions, the reaction has an equilibrium potential of about 0.9 V and the rate of chromium oxide deposition is therefore dependent on the operating potential of the cell. It becomes diffusion limited after several hours of steady operation. At low operating potentials, lanthanum manganite cathodes begin to be reduced to MnO, which reacts with the chromium oxide to form the MnCr(2)O(4) spinel. C1 [Krumpelt, Michael; Cruse, Terry A.; Ingram, Brian J.; Routbort, Jules L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60643 USA. [Wang, Shanling; Salvador, Paul A.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15236 USA. [Salvador, Paul A.] Inst Adv Energy Solut, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Chen, Gang] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. RP Krumpelt, M (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60643 USA. EM krumpelt@cmt.anl.gov RI Salvador, Paul/A-9435-2011 OI Salvador, Paul/0000-0001-7106-0017 NR 14 TC 22 Z9 22 U1 1 U2 8 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 2 BP B228 EP B233 DI 10.1149/1.3266930 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 538ZJ UT WOS:000273222700025 ER PT J AU Landon, J Kitchin, JR AF Landon, James Kitchin, John R. TI Electrochemical Concentration of Carbon Dioxide from an Oxygen/Carbon Dioxide Containing Gas Stream SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ELECTROLYTIC OXYGEN GENERATOR; PEM FUEL-CELL; EXCHANGE MEMBRANE; SEPARATION; HYDROGEN; AIR; CO2; MIXTURE; DEVICE; ION AB An electrochemical cell utilizing an anion exchange membrane was used to separate oxygen and to concentrate carbon dioxide from a mixed gaseous stream. Carbon dioxide concentration was achieved from a gaseous stream composed of 49.3% carbon dioxide and 50.7% oxygen. A volumetric ratio of 3.56:1 carbon dioxide to oxygen evolution was observed. Oxygen separation occurs through reversible oxygen reduction and oxygen evolution reactions. Carbon dioxide separation occurs through homogeneous reactions between gas-phase CO(2) and electrochemical reaction products on one side of the membrane to form carbonate and bicarbonate ions and neutralization of those ions on the other side of the membrane by electrochemical reactions. Current densities reached a maximum of 6 mA/cm(2) at a cell potential of 1.2 V. Although this approach is not efficient enough to utilize for CO(2) capture for fossil energy applications at this time, more active electrocatalysts and thinner ion-exchange membranes could improve the efficiency in the future, and it may be suitable for other applications such as removal of CO(2) from breathing air. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3432440] All rights reserved. C1 [Landon, James; Kitchin, John R.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Landon, James; Kitchin, John R.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. RP Landon, J (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM jkitchin@andrew.cmu.edu RI Kitchin, John/A-2363-2010; Landon, James/C-6437-2013 OI Kitchin, John/0000-0003-2625-9232; Landon, James/0000-0001-8113-5166 FU National Energy Technology Laboratory [DE-AC26-04NT41817] FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research in CO2 capture under the RDS contract DE-AC26-04NT41817. NR 30 TC 5 Z9 5 U1 4 U2 31 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 8 BP B1149 EP B1153 DI 10.1149/1.3432440 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 622OP UT WOS:000279673400021 ER PT J AU Liu, DJ Almer, J Cruse, T AF Liu, Di-Jia Almer, Jonathan Cruse, Terry TI Characterization of Cr Poisoning in a Solid Oxide Fuel Cell Cathode Using a High Energy X-ray Microbeam SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE electrochemical electrodes; interconnections; internal stresses; lattice constants; porosity; porous materials; radiography; solid oxide fuel cells; stainless steel; X-ray diffraction ID SR-DOPED LAMNO3; CHROMIUM-CONTAINING ALLOY; METALLIC INTERCONNECT; SOFC CATHODES; ELECTRODES; DEPOSITION; REDUCTION; VAPORIZATION; LAYERS; DEGRADATION AB A key feature of planar solid oxide fuel cells (SOFCs) is the feasibility of using metallic interconnects made of high temperature ferritic stainless steels, which reduce system cost while providing excellent electric conductivity. Such interconnects, however, contain high levels of chromium, which has been found to be associated with SOFC cathode performance degradation at SOFC operating temperatures; a phenomenon known as Cr poisoning. Here, we demonstrate an accurate measurement of the phase and concentration distributions of Cr species in a degraded SOFC, as well as related properties including deviatoric strain, integrated porosity, and lattice parameter variation, using high energy microbeam X-ray diffraction and radiography. We unambiguously identify (MnCr)(3)O(4) and Cr(2)O(3) as the two main contaminant phases and find that their concentrations correlate strongly with the cathode layer composition. Cr(2)O(3) deposition within the active cathode region reduces porosity and produces compressive residual strains, which hinders the reactant gas percolation and can cause structural breakdown of the SOFC cathode. The information obtained through this study can be used to better understand the Cr-poisoning mechanism and improve SOFC design. C1 [Liu, Di-Jia; Cruse, Terry] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Almer, Jonathan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Liu, DJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM djliu@anl.gov FU U.S. Department of Energy (DOE), Office of Science [DE-AC02-06CH11357] FX Use of the Advanced Photon Source is supported by the U.S. Department of Energy (DOE), Office of Science under contract no. DE-AC02-06CH11357. A portion of this work was supported by the Solid-State Energy Conversion Alliance (SECA) Core Technology Program under DOE's Office of Fossil Energy. NR 38 TC 13 Z9 16 U1 3 U2 13 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 5 BP B744 EP B750 DI 10.1149/1.3358262 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 581WF UT WOS:000276555300029 ER PT J AU Liu, ZY Zhang, JL Yu, PT Zhang, JX Makharia, R More, KL Stach, EA AF Liu, Z. Y. Zhang, J. L. Yu, P. T. Zhang, J. X. Makharia, R. More, K. L. Stach, E. A. TI Transmission Electron Microscopy Observation of Corrosion Behaviors of Platinized Carbon Blacks under Thermal and Electrochemical Conditions SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID FRACTAL DIMENSION; PHOSPHORIC-ACID; FUEL STARVATION; MORPHOLOGY; OXYGEN; DAMAGE AB Carbon blacks such as Vulcan XC-72 are widely used to support platinum (Pt) or Pt alloy catalysts in proton exchange membrane fuel cells. Despite their widespread use, carbon blacks are susceptible to corrosion during fuel cell operations. In this work, the corrosion behaviors of platinized Vulcan XC-72 nanoparticles under thermal and electrochemical conditions were monitored by transmission electron microscopy (TEM). The thermal corrosion experiment was carried out in a gas-cell TEM, which allows for a direct observation of the thermal oxidation behavior of the nanoparticles. The electrochemical corrosion experiment was performed outside of the TEM by loading the nanoparticles on a TEM grid and then electrochemically corroding them step by step followed by taking TEM images from exactly the same nanoparticles after each step. This work revealed four types of structural changes: (i) total removal of structurally weak aggregates, (ii) breakdown of aggregates via neck-breaking, (iii) center-hollowed primary particles caused by an inside-out corrosion starting from the center to outer region, and (iv) gradual decrease in the size of primary particles caused by a uniform removal of material from the surface. These structural changes took place in sequence or simultaneously depending on the competition of carbon corrosion dynamical processes. The results obtained from this work provide insight on carbon corrosion and its effects on fuel cells' long-term performance and durability. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3391737] All rights reserved. C1 [Liu, Z. Y.; Zhang, J. L.; Yu, P. T.; Zhang, J. X.; Makharia, R.] Gen Motors Co, Electrochem Energy Res Lab, Honeoye Falls, NY 14472 USA. [More, K. L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Stach, E. A.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Stach, E. A.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. RP Liu, ZY (reprint author), Gen Motors Co, Electrochem Energy Res Lab, Honeoye Falls, NY 14472 USA. EM liu_zhongyi@hotmail.com RI Stach, Eric/D-8545-2011; More, Karren/A-8097-2016 OI Stach, Eric/0000-0002-3366-2153; More, Karren/0000-0001-5223-9097 NR 31 TC 45 Z9 45 U1 3 U2 38 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 6 BP B906 EP B913 DI 10.1149/1.3391737 PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 590WX UT WOS:000277260200040 ER PT J AU Lu, ZG Zhou, XD Templeton, J Stevenson, JW AF Lu, Zigui Zhou, Xiao-Dong Templeton, Jared Stevenson, Jeffry W. TI Electrochemical Performance and Stability of the Cathode for Solid Oxide Fuel Cells IV. On the Ohmic Loss in Anode-Supported Button Cells with LSM or LSCF Cathodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID CONDUCTIVITY MEASUREMENTS; INTERMEDIATE TEMPERATURE; ELECTRICAL-CONDUCTIVITY; ELECTROLYTE; POLARIZATION; SOFCS; FILM; YSZ; PARAMETERS; RESISTANCE AB Anode-supported solid oxide fuel cells with a variety of yttria-stabilized zirconia (YSZ) electrolyte thicknesses were fabricated by tape casting and lamination. Preparation of the YSZ electrolyte tapes with various thicknesses was accomplished by using doctor blades with different gaps between the precision machined, polished blade and the casting surface. The green tape was cut into disks, sintered at 1385 degrees C for 2 h, and subsequently creep-flattened at 1350 degrees C for 2 h. Either (La, Sr)(Co, Fe)O(3) (LSCF) with an Sm(0.2)Ce(0.8)O(1.9) (SDC) interlayer or an (La(0.8)Sr(0.2))(0.98)MnO(3) (LSM) + YSZ composite was used as the cathode material for the fuel cells. The ohmic resistances of these anode-supported fuel cells were characterized by electrochemical impedance spectroscopy at temperatures from 500 to 750 degrees C. A linear relationship was found between the ohmic resistance of the fuel cell and the YSZ electrolyte thickness at all the measuring temperatures for both LSCF and LSM + YSZ cathode fuel cells. The ionic conductivities of the YSZ electrolyte, derived for the fuel cells with LSM + YSZ or LSCF cathodes, were independent of the cathode material and cell configuration. The ionic conductivities of the YSZ electrolyte were slightly lower than that of the bulk material possibly due to Ni doping into the electrolyte. The fuel cell with an SDC interlayer and an LSCF cathode showed a larger intercept resistance than the fuel cell with an LSM + YSZ cathode, which was possibly due to the imperfect contact between the SDC interlayer and the YSZ electrolyte and the migration of Zr into the SDC interlayer to form an insulating solid solution during cell fabrication. Calculations of the contribution of the YSZ electrolyte to the total ohmic resistance showed that YSZ was still a satisfactory electrolyte at temperatures above 650 degrees C. Explorations should be directed to reduce the intercept resistance to achieve significant improvement in cell performance. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3417064] All rights reserved. C1 [Lu, Zigui; Zhou, Xiao-Dong; Templeton, Jared; Stevenson, Jeffry W.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Zhou, Xiao-Dong] Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. RP Lu, ZG (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM zigui.lu@pnl.gov; xiao-dong.zhou@sc.edu OI Lu, Zigui/0000-0001-9848-7088 NR 27 TC 10 Z9 10 U1 0 U2 19 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 6 BP B964 EP B969 DI 10.1149/1.3417064 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 590WX UT WOS:000277260200047 ER PT J AU Nandy, A Jiang, FM Ge, SH Wang, CY Chen, KS AF Nandy, Ashis Jiang, Fangming Ge, Shanhai Wang, Chao-Yang Chen, Ken S. TI Effect of Cathode Pore Volume on PEM Fuel Cell Cold Start SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE automobiles; catalysts; diffusion; electrochemical electrodes; proton exchange membrane fuel cells ID ICE FORMATION; CATALYST LAYER; PEFC; WATER; -20-DEGREES-C; TEMPERATURES; OPERATION; STORAGE; DESIGN; MODEL AB Start-up of a proton exchange membrane (PEM) fuel cell from subzero temperatures, commonly referred to as cold start, remains a major challenge for automotive applications. In this work, we theoretically and experimentally study the effect of catalyst layer (CL) pore volume (or, more directly, CL thickness) on the cold-start performance of a PEM fuel cell for both isothermal and nonisothermal operations. Special attention is directed to determining the limits of a cold-start performance with an ultrathin CL (1 mu m). The cold-start product water or the operational time approaches a minimum nonzero asymptote as the CL is gradually made infinitesimally thin. For a PEM fuel cell with standard cell thermal mass, e.g., 0.4 J/cm(2) K, and with moderately low initial membrane water content (lambda(0)=7), successful start-up from -20 degrees C at 100 mA/cm(2) can be achieved for CL thicknesses of 10 mu m and above, whereas a CL thickness of 20 mu m is required for successful self-start-up from -30 degrees C. However, successful start-up can be achieved even with a 1 mu m thick CL, given certain adjustments to cell design and material properties. In particular, we study the effects of cell thermal mass and membrane water diffusivity and present a design map for self-start-up of a 1 mu m CL PEM fuel cell from various subfreezing temperatures. C1 [Nandy, Ashis; Jiang, Fangming; Ge, Shanhai; Wang, Chao-Yang] Penn State Univ, Electrochem Engine Ctr, University Pk, PA 16802 USA. [Nandy, Ashis; Jiang, Fangming; Ge, Shanhai; Wang, Chao-Yang] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Chen, Ken S.] Sandia Natl Labs, Engn Sci Ctr, Nanoscale & React Proc Dept, Albuquerque, NM 87185 USA. RP Nandy, A (reprint author), Penn State Univ, Electrochem Engine Ctr, University Pk, PA 16802 USA. EM cxw31@psu.edu RI Wang, Chao-Yang/C-4122-2009 FU Sandia National Laboratories; U.S. Department of Energy [DE-AC04-94AL85000]; NSF [DMS-0915153] FX This work was supported in part by Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The ECEC team also acknowledges the support of NSF under grant no. DMS-0915153 and DOE EERE Fuel Cell Technologies Program. NR 22 TC 15 Z9 15 U1 1 U2 12 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 5 BP B726 EP B736 DI 10.1149/1.3355867 PG 11 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 581WF UT WOS:000276555300027 ER PT J AU Saraf, LV Baer, DR Lea, AS Zhu, ZH Strohm, JJ Sitzman, SD King, DL AF Saraf, L. V. Baer, D. R. Lea, A. S. Zhu, Z. H. Strohm, J. J. Sitzman, S. D. King, D. L. TI Bulk Migration of Ni/NiO in Ni-YSZ during Reducing Conditions SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE anodes; Auger electron spectra; electron backscattering; heat treatment; nickel; porosity; secondary ion mass spectra; solid oxide fuel cells; time of flight mass spectra; yttrium compounds; zirconium compounds ID YTTRIA-STABILIZED ZIRCONIA; MICROSTRUCTURE; KINETICS; REDUCTION; CERMETS AB Understanding the migration of Ni/NiO in nickel yttria-stabilized zirconia (Ni-YSZ) can potentially help to design a better solid oxide fuel cell (SOFC) anode. We observed that an extensive hydrogen reduction and methane steam reforming of Ni-YSZ caused bulk migration of Ni/NiO to at least similar to 5 mu m deeper from the Ni-YSZ surface. No significant bulk migration effects were detected after simple thermal treatments in a nonreducing/nonreforming environment. The surface analysis of a single zirconia grain in the first 10-20 nm region from the annealed, hydrogen-reduced, and methane-steam-reformed Ni-YSZ shows a Ni-enriched surface supporting earlier claims of Ni exsolution. A three-dimensional electron backscattered diffraction analysis of the thermally treated sample before exposing it to reducing and reforming environments indicated a mixed NiO/YSZ phase with some porosity and random grain orientation. The surface analysis and mapping were carried out using time of flight secondary-ion mass spectroscopy and Auger electron spectroscopy, whereas energy dispersive X-ray spectroscopy maps on focused ion beam sliced areas on Ni-YSZ were utilized for the bulk analysis. The results provide additional information related to complex reactions occurring in SOFCs during internal reforming conditions. C1 [Saraf, L. V.; Baer, D. R.; Lea, A. S.; Zhu, Z. H.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Strohm, J. J.; King, D. L.] Pacific NW Natl Lab, Energy & Environm Sci Directorate, Richland, WA 99352 USA. [Sitzman, S. D.] Oxford Instruments Amer Inc, Pleasanton, CA 94568 USA. RP Saraf, LV (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM Lax.Saraf@pnl.gov RI Zhu, Zihua/K-7652-2012; Baer, Donald/J-6191-2013 OI Lea, Alan/0000-0002-4232-1553; Baer, Donald/0000-0003-0875-5961 FU Department of Energy FX The authors thank Dr. S. Thevuthasan and Dr. C. M. Wang of EMSL and Dr. P. Singh of PSL for their useful discussions, and Dr. Alex Buxbaum of FEI for his help during the 3D EBSD experiment. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory. The Ni-YSZ samples were synthesized in the Energy and Environmental Sciences Directorate at the Pacific Northwest National Laboratory (PNNL). The work is partially supported by a capability development project in EMSL. The PNNL is operated by Battelle for the U.S. Department of Energy. Partial support for this work-related sample synthesis also comes from DOE's Office of Fossil Energy through the Solid State Energy Conversion Alliance (SECA) program. NR 14 TC 3 Z9 3 U1 3 U2 10 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 4 BP B463 EP B469 DI 10.1149/1.3298442 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 569HI UT WOS:000275586800027 ER PT J AU Staser, JA Gorensek, MB Weidner, JW AF Staser, John A. Gorensek, Maximilian B. Weidner, John W. TI Quantifying Individual Potential Contributions of the Hybrid Sulfur Electrolyzer SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID HIGH-TEMPERATURE ELECTROLYSIS; POLYMER ELECTROLYTE; HYDROGEN-PRODUCTION; PEM ELECTROLYZER; TRANSPORT-PROPERTIES; WATER TRANSPORT; MEMBRANES; OXIDATION; DIOXIDE; ACID AB The hybrid sulfur cycle has been investigated as a means to produce clean hydrogen efficiently on a large scale by first decomposing H(2)SO(4) to SO(2), O(2), and H(2)O and then electrochemically oxidizing SO(2) back to H(2)SO(4) with the cogeneration of H(2). Thus far, it has been determined that the total cell potential for the hybrid sulfur electrolyzer is controlled mainly by water transport in the cell. Water is required at the anode to participate in the oxidation of SO(2) to H(2)SO(4) and to hydrate the membrane. In addition, water transport to the anode influences the concentration of the sulfuric acid produced. The resulting sulfuric acid concentration at the anode influences the equilibrium potential of and the reaction kinetics for SO(2) oxidation and the average conductivity of the membrane. A final contribution to the potential loss is the diffusion of SO(2) through the sulfuric acid to the catalyst site. Here, we extend our understanding of water transport to predict the individual contributions to the total cell potential. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3397901] All rights reserved. C1 [Staser, John A.; Weidner, John W.] Univ S Carolina, Dept Chem Engn, Ctr Electrochem Engn, Columbia, SC 29208 USA. [Gorensek, Maximilian B.] Savannah River Natl Lab, Computat Sci Directorate, Aiken, SC 29808 USA. RP Staser, JA (reprint author), Giner Electrochem Syst LLC, Newton, MA USA. EM jstaser@ginerinc.com; weidner@cec.sc.edu RI Gorensek, Maximilian/B-5298-2012; OI Gorensek, Maximilian/0000-0002-4322-9062; Weidner, John/0000-0002-3928-9740 FU National Center for Research Resources [P20 RR-016461] FX This work was partially funded by a Post Academic Career Development grant, SC-INBRE grant no. P20 RR-016461, from the National Center for Research Resources. NR 34 TC 20 Z9 20 U1 0 U2 8 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 6 BP B952 EP B958 DI 10.1149/1.3397901 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 590WX UT WOS:000277260200045 ER PT J AU Wang, Y Chen, KS AF Wang, Yun Chen, Ken S. TI Through-Plane Water Distribution in a Polymer Electrolyte Fuel Cell: Comparison of Numerical Prediction with Neutron Radiography Data SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID GAS-DIFFUSION LAYER; LIQUID WATER; 2-PHASE FLOW; EXPERIMENTAL VALIDATION; CAPILLARY-PRESSURE; MATHEMATICAL-MODEL; TRANSPORT; MEMBRANE; CATHODE; MANAGEMENT AB A multidimensional mathematical model is presented for simulating the coupled phenomena of gaseous fuel/reactant flows, species (including liquid water) transport, heat transfer, hydrogen oxidation, and oxygen reduction reactions in a polymer electrolyte fuel cell (PEFC). The present work focuses on elucidating water distribution in the through-plane direction, in particular across the membrane electrode assembly (MEA) and gas diffusion layer (GDL). Two-dimensional model predictions are computed numerically and compared with available experimental data from neutron radiography or imaging. Using the same set of model parameters, reasonably good agreements are obtained quantitatively between the computed water profile in the MEA-GDL component and the neutron-imaging data reported by two separate research groups, and qualitatively between model prediction and the data from another (third) group. Case-study simulations are carried out for PEFC operation at various temperatures, relative humidities, and current densities. It is found that liquid-water content is lower at higher cell temperatures due to greater water evaporation and stronger water diffusion in the vapor phase, as expected. Without strong water diffusion in the vapor phase, the liquid-water profiles are found to increase with current density in the cathode GDL but indicate a complex trend in the anode. Effect of varying GDL thermal conductivity on water distribution is also examined. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3498997] All rights reserved. C1 [Wang, Yun] Univ Calif Irvine, Renewable Energy Resources Lab, Irvine, CA 92697 USA. [Wang, Yun] Univ Calif Irvine, Natl Fuel Cell Res Ctr, Dept Mech & Aerosp Engn, 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, Renewable Energy Resources Lab, 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 no. DE-AC04-94AL85000. NR 58 TC 24 Z9 24 U1 0 U2 6 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 12 BP B1878 EP B1886 DI 10.1149/1.3498997 PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 676SH UT WOS:000283938300035 ER PT J AU Wood, DL Borup, RL AF Wood, David L., III Borup, Rodney L. TI Estimation of Mass-Transport Overpotentials during Long-Term PEMFC Operation SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID MEMBRANE FUEL-CELLS; PLATINUM LOADING ELECTRODES; OXYGEN REDUCTION; O2/N2 MIXTURES; GAS-DIFFUSION; WATER-UPTAKE; KINETICS; MODEL; RESISTIVITIES; CONDUCTIVITY AB A comprehensive method for separating proton exchange membrane fuel cell (PEMFC) cathode catalyst-layer and gas diffusion layer (GDL) mass-transport overpotentials was derived utilizing kinetic and ohmic analysis of high humidified H(2)/O(2) and low humidified H(2)/air polarization data. A hybridized method was applied accounting for electrochemical surface area, hydrogen crossover, and exchange current density. This method delineates separate cathode GDL and electrode mass-transport overpotentials as a function of current density and operating time. The methodology is systematic and generalized and can be applied to polarization data from any type of durability test. The derivation was applied to periodic polarization data from a steady-state 1050 h durability test and is shown to provide an accurate breakdown of the sources of performance losses. Increases in mass-transport overpotential for the cathode GDL and oxygen reduction reaction overpotential were predominantly offset by improvements in the mass-transport overpotential of the cathode catalyst layer and reductions in the high frequency resistance. Little increase in the GDL mass-transport overpotential was observed during the first similar to 500 h period, but a substantial increase was seen during the second similar to 500 h period. The mass-transport overpotential of the cathode catalyst layer was almost negligible at the end of similar to 1000 h of operation, suggesting little O(2) diffusion resistance through the ionomer and adjacent void volume. (C) 2010 The Electrochemical Society. [DOI:10.1149/1.3454740] All rights reserved. C1 [Wood, David L., III; Borup, Rodney L.] Los Alamos Natl Lab, Mat Phys & Applicat Grp, Los Alamos, NM 87545 USA. RP Wood, DL (reprint author), Oak Ridge Natl Lab, Mat Proc Grp, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM wooddl@ornl.gov OI Wood, David/0000-0002-2471-4214 FU U.S. Department of Energy (DOE) FX The financial support of this work was provided by the U.S. Department of Energy (DOE) Fuel Cell Technologies Program (Program Manager: Nancy Garland). NR 51 TC 9 Z9 9 U1 2 U2 15 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 8 BP B1251 EP B1262 DI 10.1149/1.3454740 PG 12 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 622OP UT WOS:000279673400035 ER PT J AU Wood, DL Rulison, C Borup, RL AF Wood, David L., III Rulison, Christopher Borup, Rodney L. TI Surface Properties of PEMFC Gas Diffusion Layers SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE contact angle; hydrophobicity; polymers; proton exchange membrane fuel cells; surface energy; wetting ID VALIDATED LEVERETT APPROACH; ELECTROLYTE FUEL-CELLS; LIQUID WATER TRANSPORT; CAPILLARY-PRESSURE; MULTIPHASE FLOW; 2-PHASE BEHAVIOR; CONTACT-ANGLE; MEDIA; WETTABILITY; ENERGY AB The wetting properties of proton exchange membrane fuel cell (PEMFC) gas diffusion layers (GDLs) were quantified by surface characterization measurements and modeling of material properties. Single-fiber contact-angle and surface-energy (both Zisman and Owens-Wendt) data of a wide spectrum of GDL types are presented to delineate the effects of hydrophobic postprocessing treatments. Modeling of the basic sessile-drop contact angle demonstrates that this value only gives a fraction of the total picture of interfacial wetting physics. Polar forces contributed 10-20x less than dispersive forces to the composite wetting of GDLs. Internal water contact angles obtained from the Owens-Wendt analysis were measured at 13-19 degrees higher than their single-fiber counterparts. An inverse relationship was found between internal contact angle and both Owens-Wendt surface energy and percent polarity of the GDL. The most sophisticated PEMFC mathematical models use either experimentally measured capillary pressures or the standard Young-Laplace capillary-pressure equation. Based on the results of the Owens-Wendt analysis, an advancement to the Young-Laplace equation was proposed for use in these mathematical models, which utilizes only solid surface energies and a fractional surface coverage of a fluoropolymer. Capillary constants for the spectrum of analyzed GDLs are presented for the same purpose. C1 [Wood, David L., III; Borup, Rodney L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Sensors & Electrochem Devices Grp, Los Alamos, NM 87545 USA. [Rulison, Christopher] Augustine Sci, Newbury, OH 44065 USA. RP Wood, DL (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Mat Proc Grp, POB 2008,MS 6083, Oak Ridge, TN 37831 USA. EM wooddl@ornl.gov OI Wood, David/0000-0002-2471-4214 FU U.S. Department of Energy (DOE) FX The financial support of this work was provided by the U.S. Department of Energy (DOE) Fuel Cell Technologies Program (Program Manager: Nancy Garland). We also thank Peter Wilde of the SGL Group for providing the SIGRACET GDL materials and post-processing of all other GDL substrates. NR 40 TC 20 Z9 20 U1 1 U2 13 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 2 BP B195 EP B206 DI 10.1149/1.3261850 PG 12 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 538ZJ UT WOS:000273222700021 ER PT J AU Yoon, KJ Cramer, CN Thomsen, EC Coyle, CA Coffey, GW Marina, OA AF Yoon, Kyung Joong Cramer, Carolyn N. Thomsen, Edwin C. Coyle, Christopher A. Coffey, Gregory W. Marina, Olga A. TI Calcium- and Cobalt-Doped Yttrium Chromites as an Interconnect Material for Solid Oxide Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LANTHANUM CHROMITE; THERMAL-EXPANSION; HIGH-TEMPERATURE; ELECTROCHEMICAL PROPERTIES; ELECTRICAL-CONDUCTIVITY; HOPPING CONDUCTIVITY; THERMOELECTRIC-POWER; COMBUSTION SYNTHESIS; DEFECT CHEMISTRY; TRANSPORT AB The structural, thermal, and electrical characteristics of calcium-and cobalt-doped yttrium chromites were studied for potential use as interconnect material in high temperature solid oxide fuel cells as well as other high temperature electrochemical and thermoelectric devices. The Y0.8Ca0.2Cr1-xCoxO3 +/-delta (x = 0, 0.1, 0.2, 0.3) compositions formed single-phase orthorhombic perovskite structures in a wide range of oxygen pressures. Sintering behavior was remarkably enhanced as a result of cobalt substitution for chromium, and densities 95 and 97% of theoretical density were obtained after sintering at 1300 degrees C in air, when x was 0.2 and 0.3, respectively. The electrical conductivity in both oxidizing and reducing atmospheres was significantly improved with cobalt additions, and was 49 and 10 S/cm at 850 degrees C and 55 and 14 S/cm at 950 degrees C in air and forming gas, respectively, for x = 0.2. The conductivity increase upon cobalt substitution for chromium was attributed to the charge carrier density increase as confirmed by Seebeck measurements. The thermal expansion coefficient was increased with cobalt content and closely matched to that of an 8 mol % yttria-stabilized zirconia (YSZ) electrolyte for 0.1 <= x <= 0.2. For x <= 0.2, Y0.8Ca0.2Cr1-xCoxO3 +/-delta and YSZ were found to be chemically compatible for firing temperatures to at least 1400 degrees C. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3337156] All rights reserved. C1 [Yoon, Kyung Joong; Cramer, Carolyn N.; Thomsen, Edwin C.; Coyle, Christopher A.; Coffey, Gregory W.; Marina, Olga A.] Pacific NW Natl Lab, Energy & Efficiency Div, Richland, WA 99352 USA. RP Yoon, KJ (reprint author), Pacific NW Natl Lab, Energy & Efficiency Div, Richland, WA 99352 USA. EM Olga.Marina@pnl.gov FU U.S. Department of Energy, Office of Fossil Energy, National Energy Technology Laboratory; U.S. Department of Energy [AC06-76RLO 1830] FX The authors appreciate the SEM analyses performed by J. Coleman. Financial support from the U.S. Department of Energy, Office of Fossil Energy, National Energy Technology Laboratory as part of the Solid State Energy Conversion Alliance (SECA) Coal-Based Systems Core Research Program is gratefully acknowledged. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under contract AC06-76RLO 1830. NR 53 TC 10 Z9 10 U1 0 U2 3 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 6 BP B856 EP B861 DI 10.1149/1.3337156 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 590WX UT WOS:000277260200032 ER PT J AU Zhou, XD Templeton, JW Zhu, Z Chou, YS Maupin, GD Lu, Z Brow, RK Stevenson, JW AF Zhou, X. -D. Templeton, J. W. Zhu, Z. Chou, Y. -S. Maupin, G. D. Lu, Z. Brow, R. K. Stevenson, J. W. TI Electrochemical Performance and Stability of the Cathode for Solid Oxide Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE boron compounds; cathodes; cobalt compounds; electrochemical electrodes; lanthanum compounds; secondary ion mass spectra; solid oxide fuel cells; strontium compounds; yttrium compounds; zirconium compounds ID SEALING GLASS; SEALANT AB Boron oxide is a key component to tailor the softening temperature and viscosity of the sealing glass for solid oxide fuel cells (SOFCs). The primary concern regarding the use of boron-containing sealing glasses is the volatility of boron species, which possibly results in cathode degradation. In this paper, we report the role of volatile boron species on the electrochemical performance of LSM/yttria-stabilized zirconia (YSZ) and LSCF cathodes at various SOFC operation temperatures. The transport rate of boron, similar to 3.24 x 10(-12) g/cm(2) sec was measured at 750 degrees C with air saturated with similar to 3% moisture. A reduction in power density was observed in the cells with the LSM/YSZ cathodes after the introduction of boron source to the cathode air stream. A partial recovery of the power density was observed after the boron source was removed. Results from post-test secondary-ion mass spectroscopy (SIMS) analysis showed that the partial recovery in the power density correlated with the partial removal of the deposited boron by the clean air stream. The presence of boron was also observed in the LSCF cathodes by SIMS analysis; however, the effect of boron on the electrochemical performance of the LSCF cathode was negligible. The coverage of triple phase boundaries in LSM/YSZ was postulated as the cause for the observed reduction in the electrochemical performance. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3397854] All rights reserved. C1 [Zhou, X. -D.] Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. [Zhou, X. -D.; Templeton, J. W.; Zhu, Z.; Chou, Y. -S.; Maupin, G. D.; Lu, Z.; Stevenson, J. W.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Brow, R. K.] Missouri Univ Sci & Technol, Dept Mat Sci & Engn, Rolla, MO 65401 USA. RP Zhou, XD (reprint author), Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. EM xiaodong.zhou.pnl@gmail.com RI Zhu, Zihua/K-7652-2012 FU U.S. Department of Energy's National Energy Technology Laboratory (NETL); U.S. DOE-Office of Biological and Environmental Research; U.S. DOE [DE-AC06-76RL0 1830] FX This work was supported by the Solid-State Energy Conversion Alliance (SECA) Core Technology Program by the U.S. Department of Energy's National Energy Technology Laboratory (NETL). The SIMS experiments were performed in the Environmental Molecular Science Laboratories (EMSL), a national scientific user facility located at the Pacific Northwest National Laboratory (PNNL) and supported by the U.S. DOE-Office of Biological and Environmental Research. PNNL is a multiprogram national laboratory operated for the U.S. DOE by Battelle Memorial Institute under contract DE-AC06-76RL0 1830. NR 17 TC 22 Z9 23 U1 2 U2 25 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 7 BP B1019 EP B1023 DI 10.1149/1.3397854 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 603BJ UT WOS:000278182600031 ER PT J AU Zhou, XD Simner, SP Templeton, JW Nie, Z Stevenson, JW Gorman, BP AF Zhou, X. -D. Simner, S. P. Templeton, J. W. Nie, Z. Stevenson, J. W. Gorman, B. P. TI Electrochemical Performance and Stability of the Cathode for Solid Oxide Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE anodes; cathodes; densification; diffusion; lanthanum compounds; nickel; sintering; solid oxide fuel cells; strontium compounds; yttrium compounds; zirconium compounds ID LA(SR)FEO3 SOFC CATHODE; OXYGEN REDUCTION; PHASE-STABILITY; ZIRCONIA; NIO; MICROSTRUCTURE; ELECTROLYTES; DEGRADATION; PARAMETERS; CR AB The sintering of (La(0.8)Sr(0.2))(0.98)MnO(3) (LSM-20) solid oxide fuel cell cathodes (in the temperature range of 1050-1200 degrees C) on anode-supported cells utilizing a Ni-yttria-stabilized zirconia (YSZ) anode and a thin YSZ electrolyte (< 10 mu m thickness) revealed the need for a protective ceria interlayer to prevent a detrimental interaction between the YSZ and the LSM. The interaction, however, was not the typically assumed formation of insulating La- and Sr-zirconate, but rather the result of Ni diffusion from the anode through the YSZ electrolyte and into the LSM, resulting in coarsening and increased densification of the LSM microstructure. The protective Ce(0.8)Sm(0.2)O(1.9) layers at the cathode/electrolyte interface were effective in blocking the Ni diffusion. As an alternative to the use of a protective ceria interlayer, the presence of YSZ in the cathode material was able to suppress the coarsening of LSM, thereby significantly improving the electrochemical performance. C1 [Zhou, X. -D.] Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. [Zhou, X. -D.; Simner, S. P.; Templeton, J. W.; Nie, Z.; Stevenson, J. W.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Gorman, B. P.] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. RP Zhou, XD (reprint author), Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. EM xiao-dong.zhou@sc.edu RI Gorman, Brian/F-4999-2011 OI Gorman, Brian/0000-0002-1837-564X FU U.S. Department of Energy [DE-AC06-76RL] FX The work summarized in this paper was funded by the U.S. Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program. PNNL is operated by Battelle Memorial Institute for the U. S. Department of Energy under contract DE-AC06-76RL. The authors are grateful to Nat Saenz and Shelley Carlson for SEM sample preparation. NR 39 TC 6 Z9 6 U1 0 U2 17 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 5 BP B643 EP B649 DI 10.1149/1.3321829 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 581WF UT WOS:000276555300016 ER PT J AU Zhou, XD Pederson, LR Templeton, JW Stevenson, JW AF Zhou, X. -D. Pederson, L. R. Templeton, J. W. Stevenson, J. W. TI Electrochemical Performance and Stability of the Cathode for Solid Oxide Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE current density; electrochemical electrodes; electrochemical impedance spectroscopy; solid oxide fuel cells ID GAS CONCENTRATION IMPEDANCE; COMPOSITE CATHODES; SOFC CATHODES; ELECTRODE; POLARIZATION; SPECTROSCOPY; DEGRADATION; MODEL; YSZ; TEMPERATURE AB The aim of this paper is to address three issues in solid oxide fuel cells (SOFC): (i) cross-validation of the polarization of a single cell measured using both dc and ac approaches, (ii) the precise determination of the total area specific resistance (ASR), and (iii) understanding cathode polarization with (La(0.60)Sr(0.40))(Co(0.20)Fe(0.80))O(3) cathodes. The ASR of an SOFC is a dynamic property, meaning it changes with current density. The ASR measured using impedance spectroscopy (low frequency interception with the real Z(')-axis of the ac impedance spectrum) matches that measured from a dc current-voltage (i-E) sweep (the tangent of a dc i-E curve). Due to the dynamic nature of ASR, we found that an impedance spectrum measured under open-circuit voltage or on a half-cell may not represent the cathode performance under real operating conditions, particularly at a high current density. In this work, the electrode polarization was governed by the cathode activation polarization; the anode contribution was negligible. C1 [Zhou, X. -D.; Pederson, L. R.; Templeton, J. W.; Stevenson, J. W.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Zhou, XD (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM xiaodong.zhou.pnl@gmail.com FU U. S. Department of Energy [DE-AC06-76RL] FX The work summarized in this paper was funded by the U. S. Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program. PNNL is operated by Battelle Memorial Institute for the U. S. Department of Energy under contract DE-AC06-76RL. NR 45 TC 30 Z9 30 U1 0 U2 20 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 2 BP B220 EP B227 DI 10.1149/1.3263903 PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 538ZJ UT WOS:000273222700024 ER PT J AU Zhu, JX Diaz, LMF Holcomb, GR Jablonski, PD Cowen, CJ Laughlin, DE Alman, D Sridhar, S AF Zhu, Jingxi Diaz, Laura M. Fernandez Holcomb, Gordon R. Jablonski, Paul D. Cowen, Christopher J. Laughlin, David E. Alman, David Sridhar, Seetharaman TI On the Relation Between Oxide Ridge Evolution and Alloy Surface Grain Boundary Disorientation in Fe-22 wt % Cr Alloys SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE focused ion beam technology; grain boundaries; oxidation; scanning electron microscopy ID FUEL-CELLS; DIFFUSION; SEGREGATION; PHOSPHORUS; FE; OXIDATION; MANGANESE; KINETICS; SCALE; IRON AB Oxide ridges formed during the transient stage oxidation of the scale evolution in iron alloys containing 22 wt % Cr that were held at 800 degrees C in dry air. The surface oxidation process was imaged in situ through a confocal scanning laser microscope, and the results were correlated with postexperiment characterization through scanning electron microscopy and the DualBeam system (focus ion beam and electron beam) analysis combined with three-dimensional reconstruction. The oxide ridges that formed on top of the Cr oxide scale overlapped the intersections of the underlying alloy grain boundaries with the Cr oxide scale. Ridges were generally very small on grain boundaries with disorientation angles of less than 15 degrees, and it was suggested that the boundaries of the surface grains in the alloy may serve as bottlenecks for the transport of scale-forming elements. The effects of La (120 and 290 ppm) and Ce (270 and 610 ppm) additions during melt-stage processing were also investigated. C1 [Zhu, Jingxi; Diaz, Laura M. Fernandez; Sridhar, Seetharaman] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Zhu, Jingxi; Diaz, Laura M. Fernandez; Laughlin, David E.; Sridhar, Seetharaman] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Holcomb, Gordon R.; Jablonski, Paul D.; Cowen, Christopher J.; Alman, David] Natl Energy Technol Lab, Albany, OR 97321 USA. RP Zhu, JX (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM jingxiz@andrew.cmu.edu RI Holcomb, Gordon/G-9070-2013; OI Holcomb, Gordon/0000-0003-3542-5319; Zhu, Jingxi/0000-0002-0019-0647 FU RDS [DE-AC26-04NT41817]; NSF [DMR-0520425] FX This technical effort was performed in support of the NETL's ongoing research in the study of the effects of RE elements on the high temperature oxidation of stainless steels under the RDS contract DE-AC26-04NT41817. The authors acknowledge the use of MRSEC facilities supported by NSF grant DMR-0520425 and the excellent technical support on electron microscopy of Tom Nuhfer. The authors also thank Professor Gregory S. Rohrer and Jia Li for their very helpful comments and discussions on EBSD techniques and GB topics. NR 30 TC 4 Z9 4 U1 1 U2 10 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 5 BP B655 EP B664 DI 10.1149/1.3308571 PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 581WF UT WOS:000276555300018 ER PT J AU Mistkawi, NG Hussein, MA Ziomek-Moroz, M Rananavare, SB AF Mistkawi, Nabil G. Hussein, Makarem A. Ziomek-Moroz, Malgorzata Rananavare, Shankar B. TI Corrosion Behavior of Copper Thin Films in Organic HF-Containing Cleaning Solution for Semiconductor Applications SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID HYDROFLUORIC-ACID SOLUTIONS; SILICON-WAFER SURFACES; METALLIC IMPURITIES; HYDROGEN-PEROXIDE; DEPOSITION; DILUTE; CONTAMINATION; TECHNOLOGY; REMOVAL; SEGREGATION AB The corrosion behavior of electrochemically deposited copper thin films in deaerated and non-deaerated commercial cleaning solutions containing HF was investigated. Potentiodynamic polarization experiments were carried out to determine active, active passive, passive, and transpassive regions. Corrosion rates were calculated from Tafel slopes. The addition of hydrogen peroxide to the solution and its influence on corrosion was also investigated by employing inductively coupled plasma-mass spectroscopy (ICP-MS) and X-ray photoelectron spectroscopy (XPS). The ICP-MS and potentiodynamic methods yielded comparable Cu dissolution rates. Surface analysis using atomic force microscopy and scanning electron microscopy, performed before and after the cleaning solution treatment, did not reveal any indication of pitting corrosion. The presence of hydrogen peroxide in the cleaning solution led to more than an order of magnitude suppression of copper dissolution rate. We ascribe this phenomenon to the formation of interfacial CuO detected by XPS on the wafer surface that dissolves at a slower rate in dilute HF. (C) 2009 The Electrochemical Society. [DOI:10.1149/1.3245999] All rights reserved. C1 [Mistkawi, Nabil G.; Rananavare, Shankar B.] Portland State Univ, Dept Chem, Portland, OR 97207 USA. [Mistkawi, Nabil G.; Hussein, Makarem A.] Intel Corp, Log Technol Dev, Hillsboro, OR 97123 USA. [Ziomek-Moroz, Malgorzata] US DOE, Natl Energy Technol Lab, SW Albany, OR 97321 USA. RP Mistkawi, NG (reprint author), Portland State Univ, Dept Chem, Portland, OR 97207 USA. EM ranavas@pdx.edu RI Rananavare, Shankar/A-8698-2009 OI Rananavare, Shankar/0000-0003-2564-4673 NR 40 TC 5 Z9 5 U1 1 U2 11 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 1 BP C24 EP C29 DI 10.1149/1.3245999 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 527SQ UT WOS:000272387200048 ER PT J AU Bhattacharya, RN AF Bhattacharya, Raghu N. TI Electrodeposited Two-Layer Cu-In-Ga-Se/In-Se Thin Films SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE annealing; copper compounds; electrodeposition; electrodeposits; III-VI semiconductors; reduction (chemical); scanning electron microscopy; semiconductor growth; semiconductor thin films; spectrochemical analysis; ternary semiconductors; voltammetry (chemical analysis); X-ray diffraction ID SOLAR-CELLS; PHOTOVOLTAIC CELLS; LAYERS AB Cyclic voltammogram studies were performed on H(2)SeO(3), CuSO(4), In(2)(SO(4))(3), and GaCl(3) of H(2)SeO(3)+CuSO(4)+In(2)(SO(4))(3) and H(2)SeO(3)+CuSO(4)+In(2)(SO(4))(3)+GaCl(3) to understand the electrodeposition mechanism. The reduction potential from the cyclic voltammogram studies indicates that the first deposited layer is Cu from the Cu-In-Se and Cu-In-Ga-Se (CIGS) solution mixture. The subsequent deposition of the In and Ga layers is more favorable on the first deposited Cu layer. CIGS absorber layers were fabricated using a two-step electrodeposition process. The first layer of Cu-rich CIGS thin film was electrodeposited from CuCl(2), InCl(3), GaCl(3), H(2)SeO(3), and LiCl dissolved in a pH 3 buffer solution, and the subsequent second layer of the In-Se thin film was electrodeposited from a solution mixture of indium sulfate, sulfamic acid, and LiCl. The bilayer electrodeposited films were annealed in a vacuum chamber in Se atmosphere. The as-deposited and annealed films were analyzed by inductively coupled plasma spectrometry, scanning electron micrographs, and X-ray diffraction analysis. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3427514] All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bhattacharya, RN (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Raghu.Bhattacharya@nrel.gov FU U.S. Department of Energy [DE-AC36-08GO28308] FX The author thanks Bobby To for the scanning electron micrographs. This work was performed by an employee of the Alliance for Sustainable Energy, LLC, under contract no. DE-AC36-08GO28308 with the U.S. Department of Energy. The United States government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States government purposes. NR 12 TC 19 Z9 20 U1 2 U2 16 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 7 BP D406 EP D410 DI 10.1149/1.3427514 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 603BJ UT WOS:000278182600048 ER PT J AU Wang, HL Turner, JA AF Wang, Heli Turner, John A. TI Characterization of Hematite Thin Films for Photoelectrochemical Water Splitting in a Dual Photoelectrode Device SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article; Proceedings Paper CT Canada Meeting-of-the-Society CY APR 25-30, 2010 CL Vancouver, CANADA SP Canada Meeting Soc ID IRON-OXIDE ELECTRODES; VISIBLE-LIGHT; HYDROGEN-PRODUCTION; ALPHA-FE2O3 FILMS; WO3; OXIDATION; PHOTOANODES; SYSTEM; GROWTH; ARRAYS AB Both nanorod and pyrolysis thin films have pure hematite structure and both show direct and indirect bandgap transitions. The nanorod film shows a direct bandgap of 2.14 eV and an indirect one of 2.04 eV. The pyrolysis film gives a direct bandgap of 2.15 eV and an indirect one of 2.08 eV. The pyrolysis film shows much higher incident photon-to-current efficiency (IPCE) values, whereas the nanorod film has a wider absorption edge. Based on the IPCE measurements, bandgaps of 1.94 and 2.00 eV were estimated for the nanorod and pyrolysis films, respectively. Photocurrent onsets in 1 M NaOH were -0.44 V for the nanorod film and -0.14 V for the pyrolysis film. The nanorod film has a linear (photocurrent)(0.5)-light intensity relationship, meaning a high charge carriers' recombination. The linear photocurrent-light intensity relationship with pyrolysis film indicates a fast charge-transfer process. Adopting pyrolysis film in the dual photoelectrode assembly resulted in zero short-circuit photocurrent due to the mismatch of the conduction band minimum of the pyrolysis film with the valence band maximum of p-GaInP(2). Combining the advantages of the two should form an efficient electrode for photoelectrochemical water splitting with efficient charge transfer and a large surface area. (c) 2010 The Electrochemical Society. [DOI: 10.1149/1.3489940] All rights reserved. C1 [Wang, Heli; Turner, John A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wang, HL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM heli.wang@nrel.gov RI Dom, Rekha/B-7113-2012 NR 36 TC 24 Z9 24 U1 1 U2 41 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 11 BP F173 EP F178 DI 10.1149/1.3489940 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 675TH UT WOS:000283857900074 ER PT J AU Gillaspie, D Norman, A Tracy, CE Pitts, JR Lee, SH Dillon, A AF Gillaspie, Dane Norman, Andrew Tracy, C. Edwin Pitts, J. Roland Lee, Se-Hee Dillon, Anne TI Nanocomposite Counter Electrode Materials for Electrochromic Windows SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE electrochemical electrodes; electrochromism; electron microscopy; nanocomposites; nanofabrication; nickel compounds; sputter deposition; thin films; X-ray diffraction ID OXIDE THIN-FILMS; CAPACITY-FADING MECHANISMS; LITHIUM-ION BATTERIES; NICKEL-OXIDE; DEVICES AB Nickel-oxide-based nanocomposite films were deposited using radio-frequency magnetron sputtering from ceramic targets composed of lithium, nickel, and tungsten oxides. The resulting films are partially prelithiated and exhibit a slight spectral shift relative to tungsten-free films when colored. Electron microscopy and X-ray diffraction show that the films are composed of nanocrystallites with NiO structure. The films show promise as electrochromic counter electrode layers that are durable, efficient, and fabricated using a scalable, economical process. C1 [Gillaspie, Dane; Norman, Andrew; Tracy, C. Edwin; Pitts, J. Roland; Dillon, Anne] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Lee, Se-Hee] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. RP Gillaspie, D (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM dane.gillaspie@nrel.gov RI Lee, Sehee/A-5989-2011; Gillaspie, Dane/E-2731-2010; Norman, Andrew/F-1859-2010 OI Norman, Andrew/0000-0001-6368-521X FU U.S. Department of Energy [DE-AC36-08-GO28308] FX This work was supported by the U.S. Department of Energy under contract no. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory as part of the DOE Office of Energy Efficiency and Renewable Energy Office of Building Technologies program. The authors also thank Kim Jones for the focused-ion-beam sample preparation. NR 24 TC 32 Z9 32 U1 2 U2 29 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP H328 EP H331 DI 10.1149/1.3276779 PG 4 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900086 ER PT J AU Kim, DH Seo, H Chung, KB Cho, NG Kim, HG Kim, ID AF Kim, Dong Hun Seo, Hyungtak Chung, Kwun-Bum Cho, Nam Gyu Kim, Ho-Gi Kim, Il-Doo TI InGaZnO4-Based Thin Film Transistors Using Room-Temperature Grown Mg2Hf5O12 Gate Insulator SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID VOLTAGE ORGANIC TRANSISTORS AB This study reports the dielectric and leakage current properties of Mg2Hf5O12 thin films deposited at room temperature by radio-frequency magnetron sputtering. Polycrystalline Mg2Hf5O12 thin films showed a reasonably high dielectric constant (epsilon(r) = 22) and greatly enhanced leakage current characteristics (<2 x 10(-7) A/cm(2)) compared to the leakage current (similar to 2 x 10(-5) A/cm(2)) of HfO2 thin films at 0.4 MV/cm. A bandedge spectroscopic analysis revealed lower conduction bandedge defect states and a greater p-type-like Fermi energy level of Mg2Hf5O12 compared to the HfO2 thin films. The suitability of Mg2Hf5O12 films as gate insulators for low voltage operating InGaZnO4 thin film transistors (TFTs) was investigated. All room-temperature processed InGaZnO4 TFTs on plastic substrates exhibited a high field effect mobility of 27.32 cm(2)/Vs and a current on/off ratio of 4.01 x 10(6). The threshold voltage and subthreshold swing were 2 V and 440 mV/dec, respectively. The fabrication and compositional manipulation method of the Mg2Hf5O12 films described in this work is simple and versatile, providing fascinating opportunities for new high-k gate dielectrics. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3465656] All rights reserved. C1 [Kim, Dong Hun; Cho, Nam Gyu; Kim, Ho-Gi] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. [Seo, Hyungtak] Univ Calif Berkeley, Lawrence Berkeley Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Seo, Hyungtak] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Chung, Kwun-Bum] Dankook Univ, Dept Phys, Cheonan 330714, South Korea. [Kim, Il-Doo] Korea Inst Sci & Technol, Optoelect Mat Ctr, Seoul 130650, South Korea. RP Kim, DH (reprint author), Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. EM hseo@lbl.gov; idkim@kist.re.kr RI Kim, Il-Doo/C-1850-2011 FU KIST [2E21630] FX This work was supported by the KIST research program under grant no. 2E21630. NR 21 TC 2 Z9 2 U1 0 U2 6 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 10 BP H964 EP H968 DI 10.1149/1.3465656 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 643OQ UT WOS:000281306900079 ER PT J AU Mistkawi, NG Hussein, MA Ziomek-Moroz, M Rananavare, SB AF Mistkawi, Nabil G. Hussein, Makarem A. Ziomek-Moroz, Malgorzata Rananavare, Shankar B. TI Copper Thin-Film Dissolution/Precipitation Kinetics in Organic HF Containing Cleaning Solution SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ACID SOLUTION; DEPOSITION; SILICON; CORROSION; METALLIZATION; DISSOLUTION; TECHNOLOGY; MECHANISM; BEHAVIOR; SURFACE AB The corrosion behavior of electrochemically deposited copper thin films in deaerated and non-deaerated commercial cleaning solution containing HF has been investigated. Thin-film copper dissolution and reaction kinetics were investigated by monitoring Cu(2+), employing inductively coupled plasma-mass spectroscopy, and the oxidation states of copper on Si wafer surface, employing X-ray photoelectron spectroscopy. It was determined that the reaction kinetics is first order with respect to both HF and oxygen concentrations. A kinetic scheme involving reduction of oxygen and oxidation of Cu(0) and Cu(1+) is proposed, which is consistent with the experimentally determined reaction kinetic orders and the observed deposition of undesired copper residues on semiconductor wafers during the cleaning process. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3446816] All rights reserved. C1 [Mistkawi, Nabil G.; Rananavare, Shankar B.] Portland State Univ, Dept Chem, Portland, OR 97207 USA. [Mistkawi, Nabil G.; Hussein, Makarem A.] Intel Corp, Hillsboro, OR 97123 USA. [Ziomek-Moroz, Malgorzata] US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. RP Mistkawi, NG (reprint author), Portland State Univ, Dept Chem, Portland, OR 97207 USA. EM ranavas@pdx.edu RI Rananavare, Shankar/A-8698-2009 OI Rananavare, Shankar/0000-0003-2564-4673 NR 24 TC 0 Z9 0 U1 0 U2 3 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 8 BP H801 EP H805 DI 10.1149/1.3446816 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 622OP UT WOS:000279673400058 ER PT J AU Seo, H Park, JY Liang, T Somorjai, GA AF Seo, Hyungtak Park, Jeong Y. Liang, Ted Somorjai, Gabor A. TI Electrochemically Enhanced Wet Cleaning of Ru Capping Thin Film for EUV Lithography Reflector SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE chemisorbed layers; chemisorption; electrochemistry; electrostatics; metallic thin films; passivation; ruthenium; surface cleaning; surfactants ID EXTREME-ULTRAVIOLET LITHOGRAPHY; MASK BLANKS; SURFACE; OXIDATION; REDUCTION; RU(0001); OPTICS; PLASMA; LAYER; SPECTROSCOPY AB We report the effective wet cleaning of a Ru thin-film surface for an extreme ultraviolet (EUV) lithography reflector by combining the passivation of the Ru layer with a surfactant [tetramethylammonium hydroxide (TMAH)] and by tuning the electrochemical interaction of the Ru surface in a propylene carbonate (PC) solution. Adding 1% TMAH to PC showed effective cleaning performance, which reduced the accumulation of carbon amounts and surface chemisorbed O species, while it does not etch or roughen Ru surfaces. It was observed that the PC+1% TMAH solution effectively removes the residual photoresist on Ru thin films. The cleaning mechanism of PC+1% TMAH is regarded to be a combined effect between the chemical Ru surface passivation of 1% TMAH and the electrostatic interaction between Ru surfaces and ions in the PC solution. This cleaning scheme may be extended to facilitate the elimination of carbonaceous species on the thin film or nanoparticle surfaces. C1 [Seo, Hyungtak; Park, Jeong Y.; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Seo, Hyungtak; Park, Jeong Y.; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Liang, Ted] Intel Corp, Components Res Technol & Mfg Grp, Santa Clara, CA 95054 USA. RP Seo, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu RI Park, Jeong Young/A-2999-2008 FU Intel Corporation; Director of the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors acknowledge the contribution of Erik Gullikson (CXRO, LBNL) for his help with sample preparation. This work is funded by Intel Corporation and supported by the Director of the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 31 TC 4 Z9 4 U1 1 U2 5 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 4 BP H414 EP H419 DI 10.1149/1.3298727 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 569HI UT WOS:000275586800074 ER PT J AU Tenent, RC Gillaspie, DT Miedaner, A Parilla, PA Curtis, CJ Dillon, AC AF Tenent, Robert C. Gillaspie, Dane T. Miedaner, Alex Parilla, Philip A. Curtis, Calvin J. Dillon, Anne C. TI Fast-Switching Electrochromic Li+-Doped NiO Films by Ultrasonic Spray Deposition SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE doping; electrochemical electrodes; electrochromism; electron microscopy; insulating thin films; lithium; nickel compounds; Raman spectra; tungsten compounds; vacuum deposition; X-ray diffraction ID OXIDE THIN-FILMS; CHEMICAL BATH DEPOSITION; CERIUM GADOLINIUM OXIDE; LITHIUM NICKEL-OXIDE; TUNGSTEN-OXIDE; PYROLYSIS METHOD; COLORATION EFFICIENCY; ELECTRODES; BEHAVIOR; MORPHOLOGY AB A low cost, high throughput deposition method for films of nickel oxide (NiO) and lithium-doped nickel oxide with improved electrochromic performance is demonstrated. This method is based on ultrasonic spray deposition of aqueous-based precursor solutions in air at atmospheric pressure, which represents a significant cost savings compared to vacuum deposition methods. The resultant materials are characterized by X-ray diffraction, Raman spectroscopy, electron microscopy, and electrochemical measurements. Electrochromic performance is demonstrated with in situ optical transmission measurements during electrochemical characterization. Nickel oxide materials color anodically and are thereby ideally suited to be used as counter electrode for the well-known tungsten oxide (WO3) system in "smart" window applications. The coloration of nickel oxide materials is known to be slow when compared to WO3 and thereby limits the overall response time of a NiO/WO3 tandem device. The analysis of potential step response data shows that our lithium-doped nickel oxide material achieves 90% of its total coloration change in 29 s, which is comparable to reported measurements for WO3. These results significantly mitigate a potential bottleneck to the adoption of metal oxide electrochromic windows not only by demonstrating similar performance between NiO and WO3, but by achieving this result via low cost, highly scalable processing methods. C1 [Tenent, Robert C.; Gillaspie, Dane T.; Miedaner, Alex; Parilla, Philip A.; Curtis, Calvin J.; Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Tenent, RC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Robert.Tenent@nrel.gov RI Gillaspie, Dane/E-2731-2010 FU U.S. Department of Energy (DOE) [DE-AC36-08GO28308] FX The authors acknowledge Dr. Maikel van Hest for assistance with the ultrasonic spray deposition and useful discussions on potential precursor materials. This work was funded by the U.S. Department of Energy (DOE) under subcontract no. DE-AC36-08GO28308 through the DOE Office of Energy Efficiency and Renewable Energy, Office of Building Technologies Program. NR 58 TC 36 Z9 36 U1 4 U2 66 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP H318 EP H322 DI 10.1149/1.3279992 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900084 ER PT J AU Kurushima, T Gundiah, G Shimomura, Y Mikami, M Kijima, N Cheetham, AK AF Kurushima, Tomoyuki Gundiah, Gautam Shimomura, Yasuo Mikami, Masayoshi Kijima, Naoto Cheetham, Anthony K. TI Synthesis of Eu2+-Activated MYSi4N7 (M=Ca,Sr,Ba) and SrYSi4-xAlxN7-xOx (x=0-1) Green Phosphors by Carbothermal Reduction and Nitridation SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE aluminium compounds; barium compounds; calcium compounds; europium compounds; light emitting diodes; materials preparation; nitridation; phosphors; photoluminescence; quenching (thermal); reduction (chemical); silicon compounds; strontium compounds; yttrium compounds ID LED CONVERSION PHOSPHORS; CA-ALPHA-SIALON; LUMINESCENCE PROPERTIES; PHOTOLUMINESCENCE PROPERTIES; INORGANIC-COMPOUNDS; CRYSTAL-STRUCTURE; BETA-SIALON; EARTH; SR; BA AB Rare-earth-activated nitride phosphors, (M,Eu)YSi4N7 (M=Ca,Sr,Ba) and (Sr,Eu)YSi4-xAlxN7-xOx (x=0-1), were synthesized by carbothermal reduction and nitridation. The phosphors show green photoluminescence under excitation with near-UV light and have a potential use for color conversion in white light-emitting diodes. The characterization of the structure, morphology, luminescence, and thermal quenching of the green phosphors is presented. C1 [Kurushima, Tomoyuki; Shimomura, Yasuo; Mikami, Masayoshi; Kijima, Naoto] Sci & Technol Res Ctr Inc, Mitsubishi Chem Grp, Kanagawa 2278502, Japan. [Gundiah, Gautam; Cheetham, Anthony K.] Univ Calif Santa Barbara, Mat Res Lab, Mitsubishi Chem Ctr Adv Mat, Santa Barbara, CA 93106 USA. [Gundiah, Gautam] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Cheetham, Anthony K.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. RP Kurushima, T (reprint author), Sci & Technol Res Ctr Inc, Mitsubishi Chem Grp, Kanagawa 2278502, Japan. EM kurushima.tomoyuki@mm.m-kagaku.co.jp FU MRSEC Program of the National Science Foundation [DMR05-20415] FX This work made use of MRL Central Facilities supported by the MRSEC Program of the National Science Foundation under award no. DMR05-20415. We gratefully acknowledge Dr. Jerry G. Hu for the NMR experiments. NR 39 TC 27 Z9 27 U1 4 U2 27 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP J64 EP J68 DI 10.1149/1.3276677 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900102 ER PT J AU Shea-Rohwer, LE Martin, JE Kelley, DF AF Shea-Rohwer, Lauren E. Martin, James E. Kelley, David F. TI Increasing the Luminescent Quantum Yield of CdS Nanoparticles Having Broadband Emission SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID COLLOIDAL SEMICONDUCTORS; CADMIUM-SULFIDE; ENHANCEMENT; PHOTOLUMINESCENCE; FLUORESCENCE; SPECTROSCOPY; DECAY; PHOTOCHEMISTRY; NANOCRYSTALS; SURFACE AB Studies of the quantum yield (QY) of CdS quantum dots (QDs) with broadband luminescence are presented. These QDs are synthesized using the classic inverse micelle method employing the surfactant dioctyl sulfosuccinate sodium salt in heptane. Previous studies have shown that the QY of these materials is in the range of 10-13%. We have found that dehydration and UV photolysis roughly double the QY to typically similar to 20%, while only slightly redshifting the emission. Dehydration is accomplished by cooling the samples to -30 degrees C to remove the water from the inverse micelles. The addition of trialkylamines to dehydrated, photolyzed solutions results in a further improvement in QY to 37%. This effect is independent of amine chain length over the range studied. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3250916] All rights reserved. C1 [Shea-Rohwer, Lauren E.; Martin, James E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kelley, David F.] Univ Calif Merced, Sch Nat Sci, Merced, CA 95343 USA. RP Shea-Rohwer, LE (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. EM jmartin@sandia.gov FU United States Department of Energy (DOE) [DE-AC04-94AL85000, DE-FG02-04ER15502] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy (DOE) under contract no. DE-AC04-94AL85000. This work was supported by the Office of Basic Energy Sciences, DOE and in part by DOE grant no. DE-FG02-04ER15502. NR 28 TC 8 Z9 8 U1 0 U2 5 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 1 BP J1 EP J7 DI 10.1149/1.3250916 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 527SQ UT WOS:000272387200101 ER PT J AU Woo, LY Glass, RS Novak, RF Visser, JH AF Woo, Leta Y. Glass, Robert S. Novak, Robert F. Visser, Jaco H. TI Effect of Electrode Material and Design on Sensitivity and Selectivity for High Temperature Impedancemetric NOx Sensors SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE electrochemical electrodes; electrochemical sensors; electrolytes; gas sensors; surface chemistry; yttrium compounds; zirconium compounds ID GAS SENSORS; STABILIZED ZIRCONIA; CATALYTIC-ACTIVITY; YSZ ELECTROLYTE; EXHAUST-GASES; ENERGY; OXYGEN; CO AB Solid-state electrochemical sensors using two different sensing electrode compositions, gold and strontium-doped lanthanum manganite (LSM), were evaluated for gas-phase sensing of NOx (NO and NO2) using an impedancemetric technique. An asymmetric cell design utilizing porous yttria-stabilized zirconia (YSZ) electrolyte exposed both electrodes to the test gas (i.e., no reference gas). Sensitivity to less than 5 ppm NO and response/recovery times (10-90%) less than 10 s were demonstrated. Using an LSM sensing electrode, a virtual identical sensitivity toward NO and NO2 was obtained, indicating that the equilibrium gas concentration was measured by the sensing electrode. In contrast, for cells employing a gold sensing electrode, the NOx sensitivity varied depending on the cell design: Increasing the amount of porous YSZ electrolyte on the sensor surface produced higher NO2 sensitivity compared to NO. To achieve comparable sensitivity for both NO and NO2, the cell with the LSM sensing electrode required operation at a lower temperature (575 degrees C) than the cell with the gold sensing electrode (650 degrees C). The role of surface reactions is proposed to explain the differences in NO and NO2 selectivity using the two different electrode materials. C1 [Woo, Leta Y.; Glass, Robert S.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Novak, Robert F.; Visser, Jaco H.] Ford Motor Co, Dearborn, MI 48121 USA. RP Woo, LY (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM woo21@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE Office of Vehicle Technologies 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. Two of the authors (L.Y.W. and R.S.G.) acknowledge support from the DOE Office of Vehicle Technologies and the Program Manager, Jerry Gibbs. We also gratefully acknowledge contributions from D. J. Kubinsky and R. E. Soltis, both from Ford Motor Company. NR 22 TC 10 Z9 10 U1 1 U2 26 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 3 BP J81 EP J87 DI 10.1149/1.3280263 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 552VO UT WOS:000274321900105 ER PT J AU Jonke, AP Josowicz, M Janata, J Engelhard, MH AF Jonke, Alex P. Josowicz, Mira Janata, Jiri Engelhard, Mark H. TI Electrochemically Controlled Atom by Atom Deposition of Gold to Polyaniline SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID CLUSTERS; FILMS; DEGRADATION; DYNAMICS; SOLVENT; SYSTEM; ION AB Polyaniline (PANI) has been an effective matrix for hosting and preserving metal nanoclusters. In the case of gold, the tetrachloroaurate anion (AuCl(4)(-)) has a high affinity for the imine sites of PANI. Upon contact with PANI, AuCl(4)(-) is spontaneously reduced to metallic gold, but the size of the formed Au clusters cannot be precisely controlled. Herein, we report on the electrochemical method of controlled deposition of one atom by one atom of gold per imine site of PANI. By controlling the potential, we keep PANI in an oxidized state while exposing it to a solution of AuCl(4)(-) to form a PANI*AuCl(4)(-) complex, which is reduced to atomic gold by sweeping the potential negative. This frees up the imine sites of PANI again and makes them accessible for the next Au deposition cycle. The repeated deposition of Au atoms follows a cyclic pathway. The amount of gold deposited using this method is consistent for each repeated cycle. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3474932] All rights reserved. C1 [Jonke, Alex P.; Josowicz, Mira; Janata, Jiri] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Engelhard, Mark H.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Jonke, AP (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM jiri.janata@chemistry.gatech.edu RI Engelhard, Mark/F-1317-2010; OI Engelhard, Mark/0000-0002-5543-0812 FU NSF [CHE 0137391] FX The XPS analysis was performed using EMSL, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. This work was supported by the NSF grant CHE 0137391. NR 20 TC 9 Z9 9 U1 1 U2 12 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2010 VL 157 IS 10 BP P83 EP P87 DI 10.1149/1.3474932 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 643OQ UT WOS:000281306900095 ER PT J AU Balachandran, U Kwon, DK Narayanan, M Ma, B AF Balachandran, U. Kwon, D. K. Narayanan, M. Ma, B. TI Development of PLZT dielectrics on base metal foils for embedded capacitors SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY LA English DT Article; Proceedings Paper CT 11th Electroceramics Conference 2008 CY SEP 01-03, 2008 CL Univ Manchester, Manchester, ENGLAND HO Univ Manchester DE Ferroelectric film; PLZT; Dielectric property; Chemical solution deposition ID TITANATE THIN-FILMS; STATISTICS; BREAKDOWN; CERAMICS AB We have deposited Pb(0.92)La(0.08)Zr(0.52)Ti(0.48)O(3) (PLZT) films on nickel and copper substrates to create film-on-foil capacitors that exhibit excellent dielectric properties and superior breakdown strength. Measurements with PLZT films on LaNiO(3)-buffered Ni foils yielded the following: relative permittivity of 1300 (at 25 degrees C) and 1800 (at 150 degrees C), leakage current density of 6.6 x 10(-9) A/cm(2) (at 25 degrees C) and 1.4 x 10(-8) A/cm(2) (at 150 degrees C), and mean breakdown field strength approximate to 2.5 MV/cm. With PLZT deposited directly on Cu foils, we observed dielectric constant approximate to 1100, dielectric loss (tan delta) approximate to 0.06, and leakage current density of 7.3 x 10-9 A/cm(2) when measured at room temperature. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Balachandran, U.; Kwon, D. K.; Narayanan, M.; Ma, B.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Balachandran, U (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM balu@anl.gov RI Narayanan, Manoj/A-4622-2011; Ma, Beihai/I-1674-2013 OI Ma, Beihai/0000-0003-3557-2773 NR 16 TC 14 Z9 14 U1 1 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-2219 J9 J EUR CERAM SOC JI J. Eur. Ceram. Soc. PD JAN PY 2010 VL 30 IS 2 BP 365 EP 368 DI 10.1016/j.jeurceramsoc.2009.05.006 PG 4 WC Materials Science, Ceramics SC Materials Science GA 528OH UT WOS:000272455600041 ER PT J AU Mori, K Iwase, K Yonemura, M Siewenie, J Proffen, T Onodera, Y Itoh, K Sugiyama, M Kamiyama, T Fukunaga, T AF Mori, Kazuhiro Iwase, Kenji Yonemura, Masao Siewenie, Joan Proffen, Thomas Onodera, Yohei Itoh, Keiji Sugiyama, Masaaki Kamiyama, Takashi Fukunaga, Toshiharu TI Ionic Conductivity and Structural Properties of Lithium Lanthanum Titanate Quenched into Liquid Nitrogen Studied by Neutron Powder Diffraction SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE lithium lanthanum titanate; neutron powder diffraction; lithium ionic conductor AB For Li-7-enriched La2/3-x (Li3xTiO3)-Li-7 samples quenched into liquid nitrogen and cooled in the furnace, impedance measurements and time-of-flight neutron powder diffraction (TOF-NPD) experiments were carried out in order to study the effect of the quenched-into-liquid-nitrogen treatment for the ionic conduction and the structural properties. It was found that the quenched-into-liquid-nitrogen treatment enhances the lithium ionic conductivity in the Li-7-content range between 3x similar to 0.25 and 0.45. Furthermore, the local structure within 6 angstrom not change, according to the atomic pair density function (PDF) analysis. C1 [Mori, Kazuhiro; Onodera, Yohei; Itoh, Keiji; Sugiyama, Masaaki; Fukunaga, Toshiharu] Kyoto Univ, Inst Res Reactor, Osaka 5900494, Japan. [Iwase, Kenji] Ibaraki Univ, Frontier Res Ctr Appl Sci, Naka, Ibaraki 3191106, Japan. [Yonemura, Masao] Ibaraki Univ, Grad Sch Engn & Sci, Hitachi, Ibaraki 3168511, Japan. [Siewenie, Joan; Proffen, Thomas] Los Alamos Natl Lab, LANSCE, Lujan Ctr, Los Alamos, NM 87545 USA. [Kamiyama, Takashi] High Energy Accelerator Res Org, Inst Mat Struct Sci, Tsukuba, Ibaraki 3050801, Japan. RP Mori, K (reprint author), Kyoto Univ, Inst Res Reactor, 2-1010 Asashiro Nishi, Osaka 5900494, Japan. RI Onodera, Yohei/I-7495-2015; Proffen, Thomas/B-3585-2009 OI Proffen, Thomas/0000-0002-1408-6031 NR 6 TC 2 Z9 2 U1 1 U2 5 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD JAN 1 PY 2010 VL 79 SU A DI 10.1143/JPSJS.79SA.84 PG 3 WC Physics, Multidisciplinary SC Physics GA V38JT UT WOS:000209340400021 ER PT J AU Xu, GY AF Xu, Guangyong TI Competing Orders in PZN-xPT and PMN-xPT Relaxor Ferroelectrics SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE relaxors; neutron scattering; x-ray diffraction; skin effect; polar nano-region ID X-RAY-DIFFRACTION; PHASE-TRANSITIONS; SINGLE-CRYSTALS; POLARIZATION ROTATION; NEUTRON-SCATTERING; ELECTRIC-FIELD; ELECTROMECHANICAL RESPONSE; CENTRAL-PEAK; PBMG1/3NB2/3O3; PBTIO3 AB Neutron and x-ray scattering studies on relaxor ferroelectric systems Pb(Zn1/3Nb2/3)O-3 (PZN), Pb(Mg1/3Nb2/3)O-3 (PMN), and their solid Solutions with PbTiO3 (PT) have shown that inhomogeneities and disorder play important roles in the materials properties. Although a long-range polar order can be established at low temperature-sometimes with the help of an external electric field; short-range local structures called the "polar nano-regions" (PNR) still persist. Both the bulk structure and the PNR have been studied in details. The coexistence and competition of long- and short-range polar orders and how they affect the structural and dynamical properties of relaxor materials are discussed. C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Xu, GY (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Xu, Guangyong/A-8707-2010 OI Xu, Guangyong/0000-0003-1441-8275 FU U.S. Department of Energy [DE-AC02-98CH10886] FX The work discussed in this article has been carried out with many collaborators. I would first like to give my special acknowledgment to Dr. Gen Shirane, who started our work on relaxor systems in the late 1990's. I would also like to thank all other collaborators including: F. Bai, Y. Bing, H. Cao, W. Chen, K. H. Conlon, J. R. D. Copley, J. S. Gardner, P. M. Gehring, M. J. Gutmann, H. Hiraka, K. Hirota, S.-H. Lee, J.-F. Li, H. Luo, M. Matsuura, K. Ohwada, C. Stock, I. Swainson, D. Viehland, S. Wakimoto, T. R. Welberry, J. Wen, H. Woo, Z.-G. Ye, Z. Xu, X. Zhao, and Z. Zhong. Financial support from the U.S. Department of Energy under contract No. DE-AC02-98CH10886 is also gratefully acknowledged. NR 83 TC 19 Z9 19 U1 0 U2 19 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD JAN PY 2010 VL 79 IS 1 AR 011011 DI 10.1143/JPSJ.79.011011 PG 12 WC Physics, Multidisciplinary SC Physics GA 546HF UT WOS:000273801200012 ER PT J AU Bellgraph, BJ McMichael, GA Mueller, RP Monroe, JL AF Bellgraph, B. J. McMichael, G. A. Mueller, R. P. Monroe, J. L. TI Behavioural response of juvenile Chinook salmon Oncorhynchus tshawytscha during a sudden temperature increase and implications for survival SO JOURNAL OF THERMAL BIOLOGY LA English DT Article DE Chinook salmon; Thermal challenge; Behaviour; Survival ID PREDATOR AVOIDANCE; COLUMBIA RIVER; THERMAL-STRESS; RESERVOIR; SHOCK; FISH; THERMOREGULATION; SMOLTIFICATION; VULNERABILITY; HABITATS AB Juvenile Chinook salmon Oncorhynchus tshawytscho survival and behaviour were evaluated during a temperature increase from 8.8 to 23.2 degrees C. Relatively little mortality (12%) occurred, which was unexpected. The percent of fish with an active swimming behaviour increased from 26% to 93% and opercular beat rates increased from 76 to 159 beats per minute. Although sublethal in the laboratory, thermal stress was likely incurred by juvenile salmon in this study and the associated behavioural changes may increase predation potential in the wild. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Bellgraph, B. J.; McMichael, G. A.; Mueller, R. P.; Monroe, J. L.] Pacific NW Natl Lab, Ecol Grp, Richland, WA 99352 USA. RP Bellgraph, BJ (reprint author), Pacific NW Natl Lab, Ecol Grp, POB 999, Richland, WA 99352 USA. EM brian.bellgraph@pnl.gov FU U.S. Department of Energy [DE-AC05-76RL01830] FX We thank Pacific Northwest National Laboratory (PNNL) colleagues Greg Gaulke for assistance with data collection, Daniel Deng for programming the temperature control system, and David Geist for advising study design and providing equipment. Christa Woodley (PNNL) provided extensive insight and review of the manuscript prior to submittal. The PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. NR 29 TC 4 Z9 4 U1 0 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4565 J9 J THERM BIOL JI J. Therm. Biol. PD JAN PY 2010 VL 35 IS 1 BP 6 EP 10 DI 10.1016/j.jtherbio.2009.10.001 PG 5 WC Biology; Zoology SC Life Sciences & Biomedicine - Other Topics; Zoology GA 559YE UT WOS:000274867400002 ER PT J AU Ilavsky, J AF Ilavsky, J. TI Characterization of Complex Thermal Barrier Deposits Pore Microstructures by a Combination of Imaging, Scattering, and Intrusion Techniques SO JOURNAL OF THERMAL SPRAY TECHNOLOGY LA English DT Article; Proceedings Paper CT International Thermal Spray Conference (ITSC 2009) CY MAY 04-07, 2009 CL Las Vegas, NV SP ASM Thermal Spray Soc, German Welding Soc, Int Inst Welding DE imaging techniques; intrusion porosimetry; microstructure characterization; porosity; small-angle scattering ID ANGLE NEUTRON-SCATTERING; SPRAYED ZIRCONIA COATINGS; X-RAY-SCATTERING; ELECTRON-MICROSCOPY; PHYSICAL-PROPERTIES; MATERIALS SCIENCE; PLASMA; POROSITY; MICROTOMOGRAPHY; TOMOGRAPHY AB Complexity, wide size ranges, and anisotropy are attributes that can describe porous microstructures of thermally sprayed deposits, which present especially difficult challenges for characterization techniques. A number of different methods have been utilized and found to be useful while having significant limitations. Therefore, scientists and engineers need to understand the advantages, limitations, and disadvantages of each technique. This very short review attempts to present a wide range of characterization tools-from frequently employed optical and scanning electron imaging techniques, through intrusion porosimetry, to lesser-used x-ray and neutron imaging and scattering techniques. It will be shown that no technique in itself is sufficient and that a properly selected combination of techniques is necessary to get a sufficiently complex characterization method. A really powerful and capable characterization protocol may need to combine fast and accessible ("in-house") tools with sparingly applied advanced scattering and imaging techniques. Such a combination of techniques can then be utilized to research the processing-microstructure-properties relationships as well as to provide sufficient data for development of successful models. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Ilavsky, J (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM ilavsky@aps.anl.gov RI Ilavsky, Jan/D-4521-2013; USAXS, APS/D-4198-2013 OI Ilavsky, Jan/0000-0003-1982-8900; NR 81 TC 10 Z9 10 U1 1 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9630 J9 J THERM SPRAY TECHN JI J. Therm. Spray Technol. PD JAN PY 2010 VL 19 IS 1-2 BP 178 EP 189 DI 10.1007/s11666-009-9361-y PG 12 WC Materials Science, Coatings & Films SC Materials Science GA 544PT UT WOS:000273671500020 ER PT J AU Bacciochini, A Montavon, G Ilavsky, J Denoirjean, A Fauchais, P AF Bacciochini, Antoine Montavon, Ghislain Ilavsky, Jan Denoirjean, Alain Fauchais, Pierre TI Porous Architecture of SPS Thick YSZ Coatings Structured at the Nanometer Scale (similar to 50 nm) SO JOURNAL OF THERMAL SPRAY TECHNOLOGY LA English DT Article; Proceedings Paper CT International Thermal Spray Conference (ITSC 2009) CY MAY 04-07, 2009 CL Las Vegas, NV SP ASM Thermal Spray Soc, German Welding Soc, Int Inst Welding DE coating architecture; porosity quantification; suspension plasma spraying; ultra-small-angle x-ray scattering ID PLASMA SPRAY AB Suspension plasma spraying (SPS) is a fairly recent technology that is able to process sub-micrometer-sized or nanometer-sized feedstock particles and permits the deposition of coatings thinner (from 20 to 100 mu m) than those resulting from conventional atmospheric plasma spraying (APS). SPS consists of mechanically injecting within the plasma flow a liquid suspension of particles of average diameter varying between 0.02 and 1 mu m. Due to the large volume fraction of the internal interfaces and reduced size of stacking defects, thick nanometer- or sub-micrometer-sized coatings exhibit better properties than conventional micrometer-sized ones (e.g., higher coefficients of thermal expansion, lower thermal diffusivity, higher hardness and toughness, better wear resistance, among other coating characteristics and functional properties). They could hence offer pertinent solutions to numerous emerging applications, particularly for energy production, energy saving, etc. Coatings structured at the nanometer scale exhibit nanometer-sized voids. Depending upon the selection of operating parameters, among which plasma power parameters (operating mode, enthalpy, spray distance, etc.), suspension properties (particle size distribution, powder mass percentage, viscosity, etc.), and substrate characteristics (topology, temperature, etc.), different coating architectures can be manufactured, from dense to porous layers, from connected to non-connected network. Nevertheless, the discrimination of porosity in different classes of criteria such as size, shape, orientation, specific surface area, etc., is essential to describe the coating architecture. Moreover, the primary steps of the coating manufacturing process affect significantly the coating porous architecture. These steps need to be further understood. Different types of imaging experiments were performed to understand, describe and quantify the pore level of thick finely structured ceramics coatings. C1 [Bacciochini, Antoine; Montavon, Ghislain; Denoirjean, Alain; Fauchais, Pierre] Univ Limoges, Fac Sci & Technol, SPCTS, UMR CNRS 6638, F-87060 Limoges, France. [Ilavsky, Jan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Bacciochini, A (reprint author), Univ Limoges, Fac Sci & Technol, SPCTS, UMR CNRS 6638, 123 Ave Albert Thomas, F-87060 Limoges, France. EM antoine.bacciochini@orange.fr; ghislain.montavon@unilim.fr RI Ilavsky, Jan/D-4521-2013; USAXS, APS/D-4198-2013 OI Ilavsky, Jan/0000-0003-1982-8900; NR 17 TC 25 Z9 28 U1 1 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9630 J9 J THERM SPRAY TECHN JI J. Therm. Spray Technol. PD JAN PY 2010 VL 19 IS 1-2 BP 198 EP 206 DI 10.1007/s11666-009-9429-8 PG 9 WC Materials Science, Coatings & Films SC Materials Science GA 544PT UT WOS:000273671500022 ER PT J AU Bakosi, J Ristorcelli, JR AF Bakosi, J. Ristorcelli, J. R. TI Exploring the beta distribution in variable-density turbulent mixing SO JOURNAL OF TURBULENCE LA English DT Article DE probability density function method; variable-density turbulence; transition to turbulence; active scalar mixing; beta distribution ID DIRECT NUMERICAL SIMULATIONS; FLOWS; MODEL; DIFFUSION; CLOSURE; SCALAR AB In assumed probability density function (PDF) methods of turbulent combustion, the shape of the scalar PDF is assumed a priori and the PDF is parametrized by its moments for which model equations are solved. In non-premixed flows the beta distribution has been a convenient choice to represent the mixture fraction in binary mixtures or a progress variable in combustion. Here the beta-PDF approach is extended to variable-density mixing: mixing between materials that have very large density differences and thus the scalar fields are active. As a consequence, new mixing phenomena arise due to (1) cubic nonlinearities in the Navier-Stokes equation, (2) additional nonlinearities in the molecular diffusion terms and (3) the appearance of the specific volume as a dynamical variable. The assumed beta-PDF approach is extended to transported PDF methods by giving the associated stochastic differential equation (SDE). This enables the direct computation of the scalar PDF in a Monte-Carlo fashion. Using the moment equations, derived from the governing SDE, we derive constraints on the model coefficients of the SDE that provide consistency conditions for binary material mixing. The beta distribution is shown to be a realizable, consistent and sufficiently general representation of the marginal PDF of the fluid density, an active scalar, in non-premixed variable-density turbulent mixing. The moment equations derived from mass conservation are compared to the moment equations derived from the governing SDE. This yields a series of relations between the non-stationary coefficients of the SDE and the mixing physics. All rigorous mathematical consequences of assuming a beta-PDF for the fluid mass density. Our treatment of this problem is general: The mixing is mathematically represented by the divergence of the velocity field which can only be specified once the problem is defined. A simple example of the wide range of physical problems is isobaric, isothermal and large-density binary material mixing. A more complex one is mixing and combustion of non-premixed reactants in which the divergence is related to the source terms in the energy and species conservation equations. In this paper we seek to describe a theoretical framework to subsequent applications. We report and document several rigorous mathematical results, necessary for forthcoming work that deals with the applications of the current results to model specification, computation and validation of binary mixing of inert fluids. C1 [Bakosi, J.; Ristorcelli, J. R.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Bakosi, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM jbakosi@lanl.gov OI Bakosi, Jozsef/0000-0002-0604-5555 NR 27 TC 6 Z9 6 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1468-5248 J9 J TURBUL JI J. Turbul. PY 2010 VL 11 IS 37 BP 1 EP 31 AR PII 926599700 DI 10.1080/14685248.2010.510843 PG 31 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 647CA UT WOS:000281592200001 ER PT J AU Ristorcelli, JR Hjelm, N AF Ristorcelli, J. R. Hjelm, N. TI Initial moments and parameterizing transition for Rayleigh-Taylor unstable stochastic interfaces SO JOURNAL OF TURBULENCE LA English DT Article DE rayleigh-Taylor; turbulence; initial conditions ID TURBULENCE AB A stochastic form of linear stability analysis is used to construct initial conditions for variable density moment closures for flows due to the unstable interface between two different density fluids. The material interface can be driven by a mechanism, such as gravity, a pressure gradient (Rayleigh-Taylor), or by a shock (Richtmyer-Meskoff). Initial moments for second moment closure strategies that carry the variables k, < uiuj >, Rij, epsilon, and ai for the hydrodynamical field and < 2 >, < v >, and epsilon, epsilon v for the material field are derived. The method produces a one-to-one correspondence between the initial conditions of a statistical model and the initial energy production - crucially important to the early time problem that sets up the late time problem and is not addressed in models for these flows. The analysis is applied to the Rayleigh-Taylor transition and turbulence problem. Several scalings emerge from the analysis that parameterize the initial condition dependence of RT turbulence on statistics of the interfacial morphology. Computations are conducted to assess the importance of nondimensional parameters on the transition process. An interfacial Reynolds number, involving two statistically defined length scales, collapses the simulation data exceptionally well and is thus a parameter that can be used to effect the transition to turbulence. About 97% of the variability of the turbulence and bulk Reynolds numbers is explained by the initial Taylor-Reynolds number, Re0. The initial Taylor-Reynolds number, Re0, includes two length scales of the interface, is the root mean square (rms) thickness and is rms zero-crossing wavenumber. Minimizing 2/ appearing in Re0 stabilizes the interface and reduces the speed of transition to a turbulent flow. Maximimizing 2/ destabilizes the interface and increases the rate of transition to a developed turbulent flow and may be of use in reducing the computational costs of transition in the direct numerical simulations of fully developed Rayleigh-Taylor turbulence. C1 [Ristorcelli, J. R.; Hjelm, N.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Ristorcelli, JR (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM jrrj@lanl.gov FU Los Alamos National Laboratory [20090058DR] FX This paper was made possible by funding from the laboratory-directed research and development program at Los Alamos National Laboratory through directed research project number 20090058DR. NR 10 TC 2 Z9 2 U1 1 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1468-5248 J9 J TURBUL JI J. Turbul. PY 2010 VL 11 IS 46 BP 1 EP 27 AR PII 929157403 DI 10.1080/14685248.2010.510802 PG 27 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 675YW UT WOS:000283877900001 ER PT J AU Toyoda, S Okabayashi, J Komatsu, M Oshima, M Lee, DI Sun, SY Sun, Y Pianetta, PA Kukuruznyak, D Chikyow, T AF Toyoda, Satoshi Okabayashi, Jun Komatsu, Makoto Oshima, Masaharu Lee, Dong-Ick Sun, Shiyu Sun, Yun Pianetta, Piero A. Kukuruznyak, Dmitry Chikyow, Toyohiro TI Effects of Al doping and annealing on chemical states and band diagram of Y2O3/Si gate stacks studied by photoemission and x-ray absorption spectroscopy SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID ELECTRONIC-STRUCTURE; ULTRATHIN YTTRIUM; SILICON; ALLOYS; DIELECTRICS; INSULATORS; INTERFACES; DEPOSITION; OXIDES; HFO2 AB The authors have investigated the effects of Al doping and annealing on the photoemission spectra and thermal stability of Y2O3/Si gate stacks by photoemission spectroscopy and x-ray absorption spectroscopy. They have found that the SiO2 components diffuse into the Y2O3 layer by annealing, resulting in the formation of Y silicate; however, the formation of metallic Y silicide is not observed. The changes in valence-and conduction-band offsets by doping Y2O3 with Al with respect to both Al concentration and annealing temperature have been systematically investigated. With an increase in the Al concentration, the band offsets and band gaps increase and the conduction-band edges change nonlinearly. (C) 2010 American Vacuum Society. [DOI: 10.1116/1.3259869] C1 [Toyoda, Satoshi; Okabayashi, Jun; Komatsu, Makoto; Oshima, Masaharu] Univ Tokyo, Dept Appl Chem, Bunkyo Ku, Tokyo 1138656, Japan. [Lee, Dong-Ick; Sun, Shiyu; Sun, Yun; Pianetta, Piero A.] Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. [Kukuruznyak, Dmitry; Chikyow, Toyohiro] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan. RP Toyoda, S (reprint author), Univ Tokyo, Dept Appl Chem, Bunkyo Ku, Tokyo 1138656, Japan. EM toyoda@sr.t.u-tokyo.ac.jp FU Japan Society for the Promotion of Science for Young Scientists FX Some parts of this research were carried out at SSRL, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. One of the authors (S.T.) acknowledges support from the Japan Society for the Promotion of Science for Young Scientists. NR 23 TC 2 Z9 2 U1 1 U2 5 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD JAN PY 2010 VL 28 IS 1 BP 16 EP 19 DI 10.1116/1.3259869 PG 4 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 538KK UT WOS:000273182800004 ER PT J AU Lo, CF Chang, CY Pearton, SJ Kravchenko, II Dabiran, AM Wowchak, AM Cui, B Chow, PP Ren, F AF Lo, C. F. Chang, C. Y. Pearton, S. J. Kravchenko, I. I. Dabiran, A. M. Wowchak, A. M. Cui, B. Chow, P. P. Ren, F. TI Passivation of AlN/GaN high electron mobility transistor using ozone treatment SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article DE aluminium compounds; gallium compounds; high electron mobility transistors; III-V semiconductors; passivation; photoresists; plasma materials processing; Schottky diodes; wide band gap semiconductors ID ALGAN/GAN HEMTS; GANHEMTS; GAN; PERFORMANCE; HFETS AB Ozone treatment of AlN on AlN/GaN heterostructures produces effective surface passivation and chemical resistance to the AZ positive photoresist developer used for subsequent device fabrication. The ozone-passivated AlN/GaN high electron mobility transistors (HEMTs) exhibited low gate leakage currents, high gate modulation voltage, and minimal drain current degradation during gate pulse measurements. With an additional oxygen plasma treatment on the gate area prior to the gate metal deposition, enhancement-mode AlN/GaN high electron mobility transistors were realized. The gate characteristics of the HEMTs treated with the ozone and oxygen plasma behaved in a manner similar to a metal oxide semiconductor diodelike gate current-voltage characteristic instead of a Schottky diode. Drain breakdown voltages of 23 and 43 V for d- and e-mode HEMTs were obtained, respectively. For d-mode HEMTs, there was no reduction in the drain current during the gate pulse measurements at frequencies of 1, 10, and 100 kHz. For the e-mode HEMT, the drain current was reduced 5% at 100 kHz. C1 [Lo, C. F.; Ren, F.] Univ Florida, Dept Chem Engn, Gainesville, FL 32610 USA. [Chang, C. Y.; Pearton, S. J.] Univ Florida, Dept Mat Sci Engn, Gainesville, FL 32610 USA. [Kravchenko, I. I.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Dabiran, A. M.; Wowchak, A. M.; Cui, B.; Chow, P. P.] SIY Associates Inc, Eden Prairie, MN 55344 USA. RP Lo, CF (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32610 USA. EM ren@che.ufl.edu RI Kravchenko, Ivan/K-3022-2015 OI Kravchenko, Ivan/0000-0003-4999-5822 FU NASA [NNX09CA76C]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The work at SVTA was partially supported by NASA under Grant No. NNX09CA76C, A portion of this research at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 19 TC 1 Z9 1 U1 0 U2 9 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD JAN PY 2010 VL 28 IS 1 BP 52 EP 55 DI 10.1116/1.3271333 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 568GZ UT WOS:000275511800040 ER PT J AU Mesler, BL Buchanan, K Im, MY Anderson, E Fischer, P AF Mesler, Brooke L. Buchanan, Kristen Im, Mi-Young Anderson, Erik Fischer, Peter TI Magnetic soft x-ray imaging of vortex core dynamics SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 53rd International Conference on Electron, Ion and Proton Beam Technology and Nanofabrication CY MAY 26-29, 2009 CL Marco Isl, FL DE iron alloys; nanostructured materials; nickel alloys; spin dynamics; X-ray microscopy ID STATE AB Soft x-ray microscopy offers high spatial and temporal resolution imaging with element specific magnetic contrast. As such, it is an ideal method for studying nanoscale spin dynamics, such as vortex core dynamics. At XM-1, the full field soft x-ray transmission microscope at the Advanced Light Source in Berkeley, a technique has been developed for pinpointing vortex dynamics without time resolution. In addition, a phase-locked setup has been used to conduct time resolved experiments of vortex core dynamics. The samples in this study were 100 nm thick, 2 mu m diameter Ni80Fe20 disks. Analysis of nontime resolved images suggested that resonant vortex core dynamics were excited by ac magnetic fields close to 340 MHz. This behavior was confirmed with time resolved imaging and gyrotropic motion of the vortex core was observed. C1 [Mesler, Brooke L.] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA USA. [Mesler, Brooke L.; Im, Mi-Young; Anderson, Erik; Fischer, Peter] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Buchanan, Kristen] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. RP Mesler, BL (reprint author), Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA USA. EM blmesler@lbl.gov RI Fischer, Peter/A-3020-2010; MSD, Nanomag/F-6438-2012; OI Fischer, Peter/0000-0002-9824-9343; Buchanan, Kristen/0000-0003-0879-0038 NR 17 TC 1 Z9 1 U1 0 U2 5 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD JAN PY 2010 VL 28 IS 1 BP 198 EP 201 DI 10.1116/1.3275939 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 568GZ UT WOS:000275511800066 ER PT J AU Farlow, JO Chin, K Argast, A Poppy, S AF Farlow, James O. Chin, Karen Argast, Anne Poppy, Sean TI Coprolites from the Pipe Creek Sinkhole (Late Neogene, Grant County, Indiana, USA) SO JOURNAL OF VERTEBRATE PALEONTOLOGY LA English DT Article ID MAMMALIAN PREY DIGESTIBILITY; DINOSAUR COPROLITES; SCAT DIAMETERS; COYOTE; ACCUMULATIONS; CARNIVORES; ASSEMBLAGES; TAPHONOMY; REMAINS; RODENTS AB Screen-washing of unconsolidated fossiliferous sediments from the late Neogene Pipe Creek Sinkhole (Grant County, Indiana) yielded two coprolites. Maximum preserved diameter of both is about 26 mm, and both are apatitic in composition. Although one coprolite is largely amorphous internally, the other preserves remnants of hair and at least two teeth of a small carnivoran. The crowns of both teeth are highly corroded, and the enamel of one of the teeth has been completely removed. Although large turtles cannot be excluded as the scat-makers, the most likely candidate is a wolf-sized carnivoran, possibly a canid. C1 [Farlow, James O.; Argast, Anne] Indiana Purdue Univ, Dept Geosci, Ft Wayne, IN 46805 USA. [Chin, Karen] Univ Colorado, Geol Sci & Museum Nat Hist, Boulder, CO 80309 USA. [Poppy, Sean] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Farlow, JO (reprint author), Indiana Purdue Univ, Dept Geosci, 2101 E Coliseum Blvd, Ft Wayne, IN 46805 USA. EM farlow@ipfw.edu; karen.chin@colorado.edu; smpoppy@uga.edu FU NSF [0207182-EAR] FX We thank Irving Materials, Inc., owner of the Pipe Creek Jr. Quarry, for permission to carry out field work that led to discovery of the PCS coprolites. C. Magovern (the Stone Company) did skillful preparation on one of the coprolites. K. Deal, R. Fox, and DekalbMemorial Hospital (Auburn, Indiana) facilitated CT scanning of our specimens. E. Chapman and L. Wilson assisted with the creation of illustrations. C. Burres-Jones, D. Fisher, R. Garniewicz, R. Hunt, and S. Tucker and the editors provided helpful observations and discussion. Acorn Naturalists graciously gave permission for us to use photographs of their casts of mammalian scats. NSF grant 0207182-EAR to Farlow supported this research. NR 63 TC 10 Z9 12 U1 4 U2 7 PU SOC VERTEBRATE PALEONTOLOGY PI NORTHBROOK PA 60 REVERE DR, STE 500, NORTHBROOK, IL 60062 USA SN 0272-4634 J9 J VERTEBR PALEONTOL JI J. Vertebr. Paleontol. PY 2010 VL 30 IS 3 BP 959 EP 969 AR PII 922413922 DI 10.1080/02724631003762906 PG 11 WC Paleontology SC Paleontology GA 600QB UT WOS:000278000900025 ER PT S AU Fang, Y Omitaomu, OA Ganguly, AR AF Fang, Yi Omitaomu, Olufemi A. Ganguly, Auroop R. BE Gaber, MM Vatsavai, RR Omitaomu, OA Gama, J Chawla, NV Ganguly, AR TI Incremental Anomaly Detection Approach for Characterizing Unusual Profiles SO KNOWLEDGE DISCOVERY FROM SENSOR DATA SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 2nd International Workshop on Knowledge Discovery from Sensor Data CY AUG 24-27, 2008 CL Las Vegas, NV DE Transportation security; radioactive materials; incremental knowledge discovery; PPCA; chi-square statistics ID SENSOR NETWORKS AB The detection of unusual profiles or anomalous behavioral characteristics from sensor data is especially complicated in security applications where the threat indicators may or may not be known in advance. Predictive modeling of massive volumes of historical data can yield insights on usual or baseline profiles, which in turn can be utilized to isolate unusual profiles when new data are observed in real-time. Thus, an incremental anomaly detection approach is proposed. This is a two-stage approach in which the first stage processes the available historical data and develops statistics that are in turn used by the second stage in characterizing the new incoming data for real-time decisions. The first stage adopts a mixture model of probabilistic principal component analyzers to quantify each historical observation by probabilistic measures. The second stage is a chi-square based anomaly detection approach that utilizes the probabilistic measures obtained in the first stage to determine if the incoming data is an anomaly. The proposed anomaly detection approach performs satisfactorily on simulated and benchmark datasets. The approach is also illustrated in the context of detecting commercial trucks that may pose safety and security risk. It is able to consistently identified trucks with anomalous features in the scenarios investigated. C1 [Fang, Yi] Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA. [Omitaomu, Olufemi A.; Ganguly, Auroop R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Fang, Y (reprint author), Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA. EM fangy@cs.purdue.edu; omitaomuoa@ornl.gov; gangulyar@ornl.gov FU Laboratory Directed Research and Development (LDRD) Program of the Oak Ridge National Laboratory (ORNL); U.S. Department of Energy [DE-AC05-00OR22725] FX This research was funded by the Laboratory Directed Research and Development (LDRD) Program of the Oak Ridge National Laboratory (ORNL), managed by UTBattelle, LLC, for the U.S. Department of Energy under Contract DE-AC05-00OR22725. We would like to gratefully acknowledge synergistic research activities by the SensorNet Program managed by the Computational Sciences and Engineering Division of the Oak Ridge National Laboratory. We specifically thank the following people in the SensorNet group: Frank DeNap, David Hill, David Feaker, Randy Walker, and Steven Saavedra. We also thank Dr. Brian Worley for his contributions to the Transportation Corridor research. We are grateful to the following scientists from ORNL who have reviewed this manuscript, either formally or informally: Mallikarjun (Arjun) Shankar, Raju Vatsavai, Randy Walker, Cy Smith, Bryan Gorman and Frank DeNap. This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains, and the publisher by accepting the article for publication, acknowledges that the United States Government retains, a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 15 TC 3 Z9 3 U1 1 U2 5 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-12518-8 J9 LECT NOTES COMPUT SC PY 2010 VL 5840 BP 190 EP + PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BPV33 UT WOS:000280082600011 ER PT S AU Coquard, L Pietralla, N Ahn, T Carpenter, M Janssens, RVF Lister, K Leske, J Moller, O Moller, T Rainovski, G Rother, W Zhu, S AF Coquard, L. Pietralla, N. Ahn, T. Carpenter, M. Janssens, R. V. F. Lister, K. Leske, J. Moeller, O. Moeller, T. Rainovski, G. Rother, W. Zhu, S. BE Caballero, JA Alonso, CE Andres, MV GarciaRamos, JE PerezBernal, F TI O(6)-symmetry breaking in the Xe-126 nucleus SO LA RABIDA 2009: INTERNATIONAL SCIENTIFIC MEETING ON NUCLEAR PHYSICS: BASIC CONCEPTS IN NUCLEAR PHYSICS: THEORY, EXPERIMENTS, AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT Rabida International Scientific Meeting on Nuclear Physics CY JUL 04-10, 2009 CL Int Univ Andalucia, La Rabida, SPAIN SP CPAN Ingenio 2010, Univ Sevilla, Univ Huela, Int Univ Andalucia, Spanish Minist Educ & Sci, Junta Andalucia, European Phys Soc (EPS) HO Int Univ Andalucia DE Dynamical symmetries; Coulomb excitation; B(E2); IBM-1 ID INTERACTING BOSON MODEL; STATES; LIMIT; O(6) AB Low-lying collective excited states of Xe-126 have been investigated via the C-12((126)xe,(126)xe*) Coulomb excitation reaction. Absolute E2 transition strengths have been obtained. These data are compared to the Interacting Boson Model near the O(5) symmetry. The agreement between the measurements and the model, enables us to understand the decay of the low-lying collective states in terms of O(6) and O(5) selection rules and to uantify the amount of O(6)-symmetry breaking in Xe-126. C1 [Coquard, L.; Pietralla, N.; Ahn, T.; Leske, J.; Moeller, O.; Moeller, T.] Tech Univ Darmstadt, Inst Kernphys, Petersenstr 30, D-64289 Darmstadt, Germany. [Ahn, T.] Yale Univ, Wright Nucl Structure Lab, New Haven, CT 06250 USA. [Carpenter, M.; Janssens, R. V. F.; Lister, K.; Zhu, S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Rainovski, G.] Sofia Univ St Kliment Ohridski, Fac Phys, Sofia, Bulgaria. [Rainovski, G.] Univ Zu Koln, Inst Kermphysik, D-50937 Cologne, Germany. RP Coquard, L (reprint author), Tech Univ Darmstadt, Inst Kernphys, Petersenstr 30, D-64289 Darmstadt, Germany. EM coquard@ikp.tu-darmstadt.de RI Carpenter, Michael/E-4287-2015; Ahn, Tan/C-9158-2016; Rainovski, Georgi/A-3450-2008 OI Carpenter, Michael/0000-0002-3237-5734; Ahn, Tan/0000-0003-2249-7399; Rainovski, Georgi/0000-0002-1729-0249 FU U.S. DoE [DE-AC02-06CH11357]; DFG [Pi 393/2-1, SFB 634]; Helmholtz International Center for FAIR; BGNSF [D00L-219] FX This work was partially supported by the U.S. DoE, under Contract No. DE-AC02-06CH11357, by the DFG under grant No. Pi 393/2-1 and under grant No.SFB 634, by the Helmholtz International Center for FAIR, and by BGNSF under contract D00L-219. NR 16 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0776-3 J9 AIP CONF PROC PY 2010 VL 1231 BP 207 EP + DI 10.1063/1.3428927 PG 2 WC Physics, Nuclear SC Physics GA BRO49 UT WOS:000283268100024 ER PT S AU Herraiz, JL Udias, JM Weinstein, L Fissum, K Camsonne, A Saha, A Cornejo, JC Aniol, K Urciuoli, GM AF Herraiz, J. L. Udias, J. M. Weinstein, L. Fissum, K. Camsonne, A. Saha, A. Cornejo, J. C. Aniol, K. Urciuoli, G. M. CA Hall A Collaboration BE Caballero, JA Alonso, CE Andres, MV GarciaRamos, JE PerezBernal, F TI (e,e'p) reaction at true quasielastic kinematics in 160, 12C and 208Pb at JLab SO LA RABIDA 2009: INTERNATIONAL SCIENTIFIC MEETING ON NUCLEAR PHYSICS: BASIC CONCEPTS IN NUCLEAR PHYSICS: THEORY, EXPERIMENTS, AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT Rabida International Scientific Meeting on Nuclear Physics CY JUL 04-10, 2009 CL Int Univ Andalucia, La Rabida, SPAIN SP CPAN Ingenio 2010, Univ Sevilla, Univ Huela, Int Univ Andalucia, Spanish Minist Educ & Sci, Junta Andalucia, European Phys Soc (EPS) HO Int Univ Andalucia C1 [Herraiz, J. L.; Udias, J. M.] Univ Complutense Madrid, Dpto Fis Atom Mol & Nucl, Madrid 3, Spain. [Weinstein, L.] Old Dominion Univ, Norfolk, VA 23529 USA. [Fissum, K.] Lund Univ, S-22100 Lund, Sweden. [Camsonne, A.; Saha, A.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. [Cornejo, J. C.; Aniol, K.] Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. [Urciuoli, G. M.; Hall A Collaboration] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. RP Herraiz, JL (reprint author), Univ Complutense Madrid, Dpto Fis Atom Mol & Nucl, Madrid 3, Spain. EM joaquin@nuclear.fis.ucm.es RI LOPEZ HERRAIZ, JOAQUIN/E-9234-2010; Udias, Jose/A-7523-2010; Caballero, Juan Antonio/K-6609-2014 OI LOPEZ HERRAIZ, JOAQUIN/0000-0001-7208-8863; Udias, Jose/0000-0003-3714-764X; Caballero, Juan Antonio/0000-0001-9691-0874 FU CPAN [CSD-2007-00042]; MICINN (Spain) [FPA2007-62216] FX This work has been partially funded by the projects CPAN, CSD-2007- 00042@Ingenio2010 and FPA2007-62216 from MICINN (Spain). NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0776-3 J9 AIP CONF PROC PY 2010 VL 1231 BP 225 EP + DI 10.1063/1.3428936 PG 2 WC Physics, Nuclear SC Physics GA BRO49 UT WOS:000283268100033 ER PT S AU Rodriguez-Gallardo, M Arias, JM Gomez-Camacho, J Moro, AM Thompson, IJ Tostevin, JA AF Rodriguez-Gallardo, M. Arias, J. M. Gomez-Camacho, J. Moro, A. M. Thompson, I. J. Tostevin, J. A. BE Caballero, JA Alonso, CE Andres, MV GarciaRamos, JE PerezBernal, F TI Four-body continuum-discretized coupled-channels calculations: Application to He-6+Zn-64 at 13.6 MeV SO LA RABIDA 2009: INTERNATIONAL SCIENTIFIC MEETING ON NUCLEAR PHYSICS: BASIC CONCEPTS IN NUCLEAR PHYSICS: THEORY, EXPERIMENTS, AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT Rabida International Scientific Meeting on Nuclear Physics CY JUL 04-10, 2009 CL Int Univ Andalucia, La Rabida, SPAIN SP CPAN Ingenio 2010, Univ Sevilla, Univ Huela, Int Univ Andalucia, Spanish Minist Educ & Sci, Junta Andalucia, European Phys Soc (EPS) HO Int Univ Andalucia DE Few-body systems; Direct reactions induced by halo nuclei; Coupled-channel models ID MODELS AB The recently developed four-body continuum-discretized coupled-channels (CDCC) method, making use of the binning procedure [I], is applied to the reaction He-6+Zn-64 at 13.6 MeV (around the Coulomb barrier). Excellent agreement with available elastic data [2] is found. C1 [Rodriguez-Gallardo, M.] CSIC, IEM, Plaza Murillo 2, E-28006 Madrid, Spain. [Rodriguez-Gallardo, M.; Arias, J. M.; Gomez-Camacho, J.; Moro, A. M.] Univ Seville, Dept FAMN, Seville, Spain. [Gomez-Camacho, J.] CNA, E-41092 Seville, Spain. [Thompson, I. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Tostevin, J. A.] Univ Surrey, Dept Phys, Surrey GU2 7XH, England. RP Rodriguez-Gallardo, M (reprint author), CSIC, IEM, Plaza Murillo 2, E-28006 Madrid, Spain. EM mrodri@us.es RI Arias, Jose M./G-8988-2011; Rodriguez-Gallardo, Manuela/B-4413-2014; Gomez-Camacho, Joaquin/L-5625-2014 OI Arias, Jose M./0000-0001-7363-4328; Rodriguez-Gallardo, Manuela/0000-0002-2831-8315; Gomez-Camacho, Joaquin/0000-0003-0925-5037 FU DGICYT [FIS 2008-04189, FPA 2006-13807-C02-01]; U.S. Department of Energy [DE-AC52-07NA27344]; STFC [EP/D003628] FX This work was supported by the DGICYT under Projects FIS 2008 -04189, FPA 2006-13807-C02-01, and consolider CPAN, by the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344, and by the U.K. STFC under Grant EP/D003628 NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0776-3 J9 AIP CONF PROC PY 2010 VL 1231 BP 235 EP + PG 2 WC Physics, Nuclear SC Physics GA BRO49 UT WOS:000283268100038 ER PT J AU Vengasandra, S Cai, YK Grewell, D Shinar, J Shinar, R AF Vengasandra, Srikanth Cai, Yuankun Grewell, David Shinar, Joseph Shinar, Ruth TI Polypropylene CD-organic light-emitting diode biosensing platform SO LAB ON A CHIP LA English DT Article ID CENTRIFUGAL MICROFLUIDICS; DISSOLVED-OXYGEN; SENSORS; DEVICE; POLYMER; ASSAYS; SI AB This paper describes the development of a compact platform for simultaneous photoluminescence (PL)-based sensing of multiple bioanalytes using a lab-on-CD. The platform is based on microfluidic features generated on foamed polypropylene (PP) surfaces by ultrasonic micro-embossing, sub-micron thick organic light-emitting diode (OLED) pixels that serve as the PL excitation sources, and a compatible array of compact photodetectors (PDs). The localized heating resulting from the ultrasonic micro-embossing enables generation of flash-free micro-patterns on the foamed PP surfaces. The embossed features are designed to function as reservoirs, channels, valves, and reaction chambers, to allow, in combination with compact OLED/PD arrays, the simultaneous monitoring of glucose, lactate, ethanol, and dissolved oxygen (DO) in four separate single CD segments using a standard PC-CD player. The analytes' concentrations are determined following CD rotation for reagent mixing by measuring the DO level via the PL decay time of an oxygen-sensitive dye following an OLED excitation pulse. Glucose, lactate, and ethanol are monitored following their oxidation in sealed cells in the presence of oxygen and their specific oxidase enzyme, which results in consumption of DO. Calibration curves for each of the analytes and their concentrations in mixtures were monitored on the four separate segments of the bio-CD. The attributes and utility of the compact OLED-bio-CD-PD platform for sensitive and accurate monitoring of multiple analytes, and its potential field-deployability, are discussed. C1 [Vengasandra, Srikanth; Grewell, David] Iowa State Univ, Dept Agr & Biosyst Engn, Ames, IA 50011 USA. [Cai, Yuankun; Shinar, Joseph] US DOE, Ames Lab, Ames, IA 50011 USA. [Cai, Yuankun; Shinar, Joseph] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Shinar, Ruth] Iowa State Univ, Microelect Res Ctr, Ames, IA 50011 USA. [Shinar, Ruth] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. RP Grewell, D (reprint author), Iowa State Univ, Dept Agr & Biosyst Engn, Ames, IA 50011 USA. EM dgrewell@iastate.edu; rshinar@iastate.edu FU US Department of Energy [W-7405-Eng-82]; Director for Energy Research, Office of Basic Energy Sciences FX The authors thank Branson Ultrasonics (Danbury, CT) for donating the ultrasonic embossing equipment and tooling. Ames Laboratory is operated by Iowa State University for the US Department of Energy under Contract W-7405-Eng-82. This work was partially supported by the Director for Energy Research, Office of Basic Energy Sciences. NR 28 TC 9 Z9 9 U1 2 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2010 VL 10 IS 8 BP 1051 EP 1056 DI 10.1039/b923689a PG 6 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 577JL UT WOS:000276218900012 PM 20358113 ER PT J AU Lavrik, NV Taylor, LC Sepaniak, MJ AF Lavrik, Nickolay V. Taylor, Lisa C. Sepaniak, Michael J. TI Enclosed pillar arrays integrated on a fluidic platform for on-chip separations and analysis SO LAB ON A CHIP LA English DT Article ID DETERMINISTIC LATERAL DISPLACEMENT; LIQUID-CHROMATOGRAPHY-SEPARATIONS; RAMAN-SPECTROSCOPY; EXTERNAL POROSITY; LC SUPPORTS; COLUMNS; PERFORMANCE; SIZE; MOLECULES; CHANNELS AB Due to the difficulty of reliably producing sealed 3-D structures, few researchers have tackled the challenges of creating pillar beds suitable for miniaturized liquid phase separation systems. Herein, we describe an original processing sequence for the fabrication of enclosed pillar arrays integrated on a fluidic chip which, we believe, will further stimulate interest in this field. Our approach yields a mechanically robust enclosed pillar system that withstands mechanical impacts commonly incurred during processing, sealing and operation, resulting in a design particularly suitable for the research environment. A combination of a wafer-level fabrication sequence with chip-level elastomer bonding allows for chip reusability, an attractive and cost efficient advancement for research applications. The characteristic features in the implemented highly ordered pillar arrays are scalable to submicron dimensions. The proposed fluidic structures are suitable for handling picolitre sample volumes and offer prospects for substantial improvements in separation efficiency and permeability over traditional packed and monolithic columns. Our experimental observations indicate plate heights as low as 0.76 mm for a 10 mm long pillar bed. Theoretical calculations confirm that ordered pillar arrays with submicron pore sizes combine superior analysis speed, picolitre sample volumes, high permeability and reasonably large plate numbers on a small footprint. In addition, we describe a fluidic interface that provides streamlined coupling of the fabricated structures with off-chip fluidic components. C1 [Lavrik, Nickolay V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Taylor, Lisa C.; Sepaniak, Michael J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Lavrik, NV (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. EM lavriknv@ornl.gov; msepaniak@utk.edu RI Lavrik, Nickolay/B-5268-2011 OI Lavrik, Nickolay/0000-0002-9543-5634 FU US Environmental Protection Agency [EPA-83274001] FX A portion of this research at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. This research was also supported by the US Environmental Protection Agency STAR Program under grant EPA-83274001 with the University of Tennessee. NR 39 TC 22 Z9 23 U1 2 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2010 VL 10 IS 8 BP 1086 EP 1094 DI 10.1039/b920275g PG 9 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 577JL UT WOS:000276218900017 PM 20358118 ER PT J AU Retterer, ST Siuti, P Choi, CK Thomas, DK Doktycz, MJ AF Retterer, Scott T. Siuti, Piro Choi, Chang-Kyoung Thomas, Darrell K. Doktycz, Mitchel J. TI Development and fabrication of nanoporous silicon-based bioreactors within a microfluidic chip SO LAB ON A CHIP LA English DT Article ID PROTEIN-SYNTHESIS; ARTIFICIAL CELLS; DROPLETS; COMPARTMENTS; DIFFUSION; MEMBRANES; ENZYMES; BIOLOGY; SYSTEMS; MODELS AB Multi-scale lithography and cryogenic deep reactive ion etching techniques were used to create ensembles of nanoporous, picolitre volume, reaction vessels within a microfluidic system. The fabrication of these vessels is described and how this process can be used to tailor vessel porosity by controlling the width of slits that constitute the vessel pores is demonstrated. Control of pore size allows the containment of nucleic acids and enzymes that are the foundation of biochemical reaction systems, while allowing smaller reaction constituents to traverse the container membrane and continuously supply the reaction. In this work, a 5.4 kb DNA plasmid was retained within the reaction vessels and labeled under microfluidic control with ethidium bromide as an initial proof-of-principle. Subsequently, a coupled enzyme reaction, in which glucose oxidase (GOX) and horseradish peroxidase (HRP) were contained and fed with a substrate solution of glucose and Amplex Red(TM) to produce fluorescent resorufin, was carried out under microfluidic control and monitored using fluorescent microscopy. The fabrication techniques presented are broadly applicable and can be adapted to produce devices in which a variety of high aspect ratio, nanoporous silicon structures can be integrated within a microfluidic network. The devices shown here are amenable to being scaled in number and organized to implement more complex reaction systems for applications in sensing and actuation as well as fundamental studies of biological reaction systems. C1 [Retterer, Scott T.; Choi, Chang-Kyoung; Thomas, Darrell K.; Doktycz, Mitchel J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Choi, Chang-Kyoung] Michigan Technol Univ, Houghton, MI 49931 USA. [Siuti, Piro; Doktycz, Mitchel J.] Univ Tennessee, Knoxville, TN USA. RP Retterer, ST (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM rettererst@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 NIH [EB000657]; Center for Nanophase Materials Sciences; Oak Ridge National Laboratory by the Division of Scientific User Facilities, US Department of Energy; US DOE [DE-AC05-00OR22725] FX This research was supported by NIH Grant EB000657. STR and MJD would like to acknowledge funding from the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, US Department of Energy. This work was performed at the Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US DOE under Contract No. DE-AC05-00OR22725. NR 30 TC 19 Z9 19 U1 0 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2010 VL 10 IS 9 BP 1174 EP 1181 DI 10.1039/b921592a PG 8 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 582XE UT WOS:000276632900011 PM 20390137 ER PT J AU Walsh, Z Vazquez, M Benito-Lopez, F Paull, B Macka, M Svec, F Diamond, D AF Walsh, Zarah Vazquez, Mercedes Benito-Lopez, Fernando Paull, Brett Macka, Mirek Svec, Frantisek Diamond, Dermot TI The use of scanning contactless conductivity detection for the characterisation of stationary phases in micro-fluidic chips SO LAB ON A CHIP LA English DT Article ID ELECTROPHORESIS; COLUMNS; POLYMER AB The use of scanning capacitively coupled contactless conductivity detection for the evaluation of the structural homogeneity and density of both packed and monolithic stationary phases in micro-fluidic chips is presented here for the first time. C1 [Vazquez, Mercedes; Benito-Lopez, Fernando; Paull, Brett; Diamond, Dermot] Dublin City Univ, Natl Ctr Sensor Res, Ctr Bioanalyt Sci, Dublin 9, Ireland. [Benito-Lopez, Fernando; Diamond, Dermot] Dublin City Univ, Natl Ctr Sensor Res, CLARITY Ctr Sensor Web Technol, Dublin 9, Ireland. [Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Vazquez, M (reprint author), Dublin City Univ, Natl Ctr Sensor Res, Ctr Bioanalyt Sci, Dublin 9, Ireland. EM mercedes.vazquez@dcu.ie RI Benito-Lopez, Fernando/G-5085-2010; Macka, Mirek/G-6553-2012; Benito-Lopez, Fernando/H-5436-2015; OI Macka, Mirek/0000-0002-6792-2574; paull, brett/0000-0001-6373-6582; Benito-Lopez, Fernando/0000-0003-0699-5507; Walsh, Zarah/0000-0001-8570-045X FU Science Foundation Ireland [08/SRC/B1412, 07/CE/I1147]; Industrial Development Authority, Ireland (IDA) [116294]; Irish Research Council for Science, Engineering, and Technology [2089]; Marie Curie Excellence Grants [MEXT-CT-004-014361]; Bristol-Myers Squibb; Office of Science, Office of Basic Energy Sciences, US Department of Energy [DE-AC02-05CH11231] FX Authors would like to thank P. Clarke and R. Thompson for fruitful discussions. Financial support from Science Foundation Ireland (Grants No. 08/SRC/B1412 and 07/CE/I1147), the Industrial Development Authority, Ireland (IDA project #116294), Irish Research Council for Science, Engineering, and Technology (Fellowship No. 2089), Marie Curie Excellence Grants and Funding (MEXT-CT-004-014361), and Bristol-Myers Squibb is gratefully acknowledged. F. S. and analytical work performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, were supported by the Office of Science, Office of Basic Energy Sciences, US Department of Energy, under Contract No. DE-AC02-05CH11231. NR 13 TC 8 Z9 8 U1 0 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2010 VL 10 IS 14 BP 1777 EP 1780 DI 10.1039/c003584j PG 4 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 618AD UT WOS:000279322400004 PM 20526490 ER PT J AU Nath, P Fung, D Kunde, YA Zeytun, A Branch, B Goddard, G AF Nath, Pulak Fung, Derek Kunde, Yuliya A. Zeytun, Ahmet Branch, Brittany Goddard, Greg TI Rapid prototyping of robust and versatile microfluidic components using adhesive transfer tapes SO LAB ON A CHIP LA English DT Article ID POLY(DIMETHYLSILOXANE); FABRICATION; SYSTEMS; DEVICES AB A rapid prototyping technique of microfluidic devices is presented using adhesive transfer tapes. Lab on a chip systems can integrate multiple microfluidic functions in a single platform. Therefore, any rapid prototyping technique should be flexible and robust to accommodate different aspects of microfluidic integrations. In this work, the versatility of using adhesive transfer tapes for microfluidic applications is demonstrated by fabricating a wide range of platform. Prototypes demonstrating microfluidic mixing, dielectrophoretic trapping, complex microchannel networks and biologically relevant high temperature reactions were fabricated in less than 30 min. A novel ready to use world-to-chip interface was also developed using the same fabrication platform. All components (e. g. tapes, electrodes, acoustic sources or heaters) were obtained as finished products alleviating any chemical or clean-room specific processing. Only a 2D CAD software, a CO2 laser cutter and a seam roller was utilized to fabricate the devices. Adhesive transfer tapes provide additional flexibility compared to common double sided tapes as they do not contain any carrier material layer. Demonstrated ability to sustain in a wide range of dynamic physical processes (mechanical, electrical, or thermal) validates the robustness and the versatility of adhesive transfer tapes as an option for developing integrated lab on a chip systems. C1 [Nath, Pulak; Fung, Derek; Kunde, Yuliya A.; Zeytun, Ahmet; Branch, Brittany; Goddard, Greg] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nath, P (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM pulakn@lanl.gov FU Department of Energy Laboratory Directed Research & Development (DOE-LDRD) FX The authors would like to acknowledge the Department of Energy Laboratory Directed Research & Development (DOE-LDRD) program for funding this project. We also thank Michelle Espy, Steve Graves, Srinivas Iyer and Abul K. Azad for their support, and Greg Kaduchak and Mike Ward for some of the early lamination based chip work. NR 21 TC 16 Z9 16 U1 3 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 EI 1473-0189 J9 LAB CHIP JI Lab Chip PY 2010 VL 10 IS 17 BP 2286 EP 2291 DI 10.1039/c002457k PG 6 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 637JD UT WOS:000280812600017 PM 20593077 ER PT J AU Jung, SY Retterer, ST Collier, CP AF Jung, Seung-Yong Retterer, Scott T. Collier, C. Patrick TI On-demand generation of monodisperse femtolitre droplets by shape-induced shear SO LAB ON A CHIP LA English DT Article ID VOLUME AQUEOUS DROPLETS; MICROFLUIDIC DEVICE; PICOLITER-VOLUME; FLOW; ORIFICES; BEHAVIOR; ARRAY AB We describe a method for creating discrete femtolitre-scale water-in-oil droplets on demand, based solely on a geometrically induced reduction in oil/water interfacial area at microfabricated junction orifices. This on-demand generation method is driven by self-shear of droplets due to interfacial tension induced forces resulting from a localized transition in microchannel height. The magnitudes of shear stresses involved appear to be significantly less than the shearing instabilities used to split off daughter droplets from aqueous mother plugs at microfabricated junctions in continuous water-in-oil segmented flows, which implies that this method may be better suited for studying biochemical reactions and reaction kinetics in droplets of decreased volume without loss of chemical reactivity due to redistribution of surfactant density used to passivate the oil/water interface. Predictable droplet generation rates under constant pressure conditions or the gated formation of one, two or more droplets at a time with fixed pressure pulses have been demonstrated in a similar manner to active on-demand droplet generation strategies, but with a simpler system not needing actuation and sensing equipment beyond a pressure regulator. C1 [Jung, Seung-Yong; Retterer, Scott T.; Collier, C. Patrick] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Retterer, Scott T.] Oak Ridge Natl Lab, Biol & Nanoscale Syst Grp, Biosci Div, Oak Ridge, TN 37831 USA. RP Collier, CP (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, POB 2008,MS 6493, Oak Ridge, TN 37831 USA. EM colliercp@ornl.gov RI Retterer, Scott/A-5256-2011; Collier, Charles/C-9206-2016 OI Retterer, Scott/0000-0001-8534-1979; Collier, Charles/0000-0002-8198-793X FU Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; US Department of Energy [DE-AC05-00OR22725] FX The authors acknowledge support for device fabrication from the Center for Nanophase Materials Sciences, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. Device characterisation and analysis sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under Contract No. DE-AC05-00OR22725. NR 28 TC 20 Z9 20 U1 1 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2010 VL 10 IS 20 BP 2688 EP 2694 DI 10.1039/c0lc00120a PG 7 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 656FZ UT WOS:000282314200007 PM 20721397 ER PT J AU Jung, SY Retterer, ST Collier, CP AF Jung, Seung-Yong Retterer, Scott T. Collier, C. Patrick TI Interfacial tension controlled fusion of individual femtolitre droplets and triggering of confined chemical reactions on demand SO LAB ON A CHIP LA English DT Article ID MICROFLUIDIC DEVICES; MICRODROPLETS; VOLUME; GENERATION; CHEMISTRODE; MOLECULES AB This paper describes stepwise on-demand generation and fusion of femtolitre aqueous droplets based on interfacial tension. Sub-milli-second reaction times from droplet fusion were demonstrated, as well as a reversible chemical toggle switch based on alternating fusion of droplets containing acidic or basic solution, monitored with the pH-dependent emission of fluorescein. C1 [Jung, Seung-Yong; Retterer, Scott T.; Collier, C. Patrick] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Retterer, Scott T.] Oak Ridge Natl Lab, Biosci Div, Biol & Nanoscale Syst Grp, 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 Retterer, Scott/A-5256-2011; Collier, Charles/C-9206-2016 OI Retterer, Scott/0000-0001-8534-1979; Collier, Charles/0000-0002-8198-793X FU Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Oak Ridge National Laboratory, US Department of Energy [DE-AC05-00OR22725] FX Support for device fabrication provided by the Center for Nanophase Materials Sciences, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. Device characterization and analysis were sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under Contract No. DE-AC05-00OR22725. NR 44 TC 7 Z9 7 U1 1 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2010 VL 10 IS 24 BP 3373 EP 3376 DI 10.1039/c0lc00376j PG 4 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 684XQ UT WOS:000284589000008 PM 20976357 ER PT S AU Liao, CH Quinlan, DJ Vuduc, R Panas, T AF Liao, Chunhua Quinlan, Daniel J. Vuduc, Richard Panas, Thomas BE Gao, GR Pollock, LL Cavazos, J Li, X TI Effective Source-to-Source Outlining to Support Whole Program Empirical Optimization SO LANGUAGES AND COMPILERS FOR PARALLEL COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 22nd International Workshop on Languages and Compilers for Parallel Computing CY OCT 08-10, 2009 CL Newark, DE SP Univ Delaware, Dept Comp & Informat Sci, Univ Delaware, Dept Elect & Comp Engn, ET Int, Hewlett Packard, IBM, NVIDIA, Reservoir Labs ID ABSTRACTIONS AB Although automated empirical performance optimization and tuning is well-studied for kernels and domain-specific libraries, a current research grand challenge is how to extend these methodologies and tools to significantly larger sequential and parallel applications. In this context, we present the ROSE source-to-source outliner, which addresses the problem of extracting tunable kernels out of whole programs, thereby helping to convert the challenging whole-program tuning problem into a set of more manageable kernel tuning tasks. Our outliner aims to handle large scale C/C++, Fortran and OpenMP applications. A set of program analysis and transformation techniques are utilized to enhance the portability, scalability, and interoperability of source-to-source outlining. More importantly, the generated kernels preserve performance characteristics of tuning targets and can be easily handled by other tools. Preliminary evaluations have shown that the ROSE outliner serves as a key component within an end-to-end empirical optimization system and enables a wide range of sequential and parallel optimization opportunities. C1 [Liao, Chunhua; Quinlan, Daniel J.; Panas, Thomas] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Vuduc, Richard] Georgia Inst Technol, Coll Comp, Atlanta, GA 30332 USA. RP Liao, CH (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. EM liao6@llnl.gov; quinlan1@llnl.gov; richie@cc.gatech.edu; panas2@llnl.gov OI Vuduc, Richard/0000-0003-2178-138X 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 22 TC 7 Z9 7 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-13373-2 J9 LECT NOTES COMPUT SC PY 2010 VL 5898 BP 308 EP + DI 10.1007/978-3-642-13374-9_21 PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BQA06 UT WOS:000280469000021 ER PT S AU Bochev, P Gunzburger, M AF Bochev, Pavel Gunzburger, Max BE Lirkov, I Margenov, S Wasniewski, J TI A Locally Conservative Mimetic Least-Squares Finite Element Method for the Stokes Equations SO LARGE-SCALE SCIENTIFIC COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 6th International Conference on Large-Scale Scientific Computing (LSSC 2009) CY JUN 04-08, 2009 CL Sozopol, BULGARIA SP Bulgarian Acad Sci, Inst Parallel Proc AB Least-squares finite element methods (LSFEMs) for the incompressible Stokes equations that use nodal C-0 elements conserve mass approximately. This has led to the common and widespread misconception that LSFEMs are unable to provide the local conservation of their mixed cousins. We develop a mimetic LSFEM for the Stokes equations that yields divergence-free velocity fields and satisfies a discrete momentum equation. The LSFEM uses the velocity-vorticity-pressure Stokes equations, div-conforming elements for the velocity, curl-conforming elements for the vorticity and discontinuous elements for the pressure. C1 [Bochev, Pavel] Sandia Natl Labs, Appl Math & Applicat, POB 5800,MS 1320, Albuquerque, NM 87185 USA. [Gunzburger, Max] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. RP Bochev, P (reprint author), Sandia Natl Labs, Appl Math & Applicat, POB 5800,MS 1320, Albuquerque, NM 87185 USA. EM pbboche@sandia.gov; gunzburg@fsu.edu NR 7 TC 2 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-12534-8 J9 LECT NOTES COMPUT SC PY 2010 VL 5910 BP 637 EP + DI 10.1007/978-3-642-12535-5_76 PG 2 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BOZ10 UT WOS:000278091900076 ER PT S AU Bochev, P Ridzal, D AF Bochev, Pavel Ridzal, Denis BE Lirkov, I Margenov, S Wasniewski, J TI Additive Operator Decomposition and Optimization-Based Reconnection with Applications SO LARGE-SCALE SCIENTIFIC COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 6th International Conference on Large-Scale Scientific Computing (LSSC 2009) CY JUN 04-08, 2009 CL Sozopol, BULGARIA SP Bulgarian Acad Sci, Inst Parallel Proc ID PRECONDITIONER; EQUATIONS; SYSTEMS AB We develop an optimization-based approach for additive decomposition and reconnection of algebraic problems arising from discretizations of partial differential equations (PDEs). Application to a scalar convection diffusiori PDF; illustrates the new approach. In particular, we derive a robust iterative solver for convection dominated problems using standard multilevel solvers for the Poisson equation. C1 [Bochev, Pavel; Ridzal, Denis] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bochev, P (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pbboche@sandia.gov; dridzal@sandia.gov NR 17 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-12534-8 J9 LECT NOTES COMPUT SC PY 2010 VL 5910 BP 645 EP 652 DI 10.1007/978-3-642-12535-5_77 PG 8 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BOZ10 UT WOS:000278091900077 ER PT S AU Abdulla, GM Kegelmeyer, LM Liao, ZM Carr, W AF Abdulla, Ghaleb M. Kegelmeyer, Laura Mascio Liao, Zhi M. Carr, Wren BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Effective and efficient optics inspection approach using machine learning algorithms SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res AB The Final Optics Damage Inspection (FODI) system automatically acquires and utilizes the Optics Inspection (OI) system to analyze images of the final optics at the National Ignition Facility (NIF). During each inspection cycle up to 1000 images acquired by FODI are examined by OI to identify and track damage sites on the optics. The process of tracking growing damage sites on the surface of an optic can be made more effective by identifying and removing signals associated with debris or reflections. The manual process to filter these false sites is daunting and time consuming. In this paper we discuss the use of machine learning tools and data mining techniques to help with this task. We describe the process to prepare a data set that can be used for training and identifying hardware reflections in the image data. In order to collect training data, the images are first automatically acquired and analyzed with existing software and then relevant features such as spatial, physical and luminosity measures are extracted for each site. A subset of these sites is "truthed" or manually assigned a class to create training data. A supervised classification algorithm is used to test if the features can predict the class membership of new sites. A suite of self-configuring machine learning tools called "Avatar Tools" is applied to classify all sites. To verify, we used 10-fold cross correlation and found the accuracy was above 99%. This substantially reduces the number of false alarms that would otherwise be sent for more extensive investigation. C1 [Abdulla, Ghaleb M.; Kegelmeyer, Laura Mascio; Liao, Zhi M.; Carr, Wren] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Abdulla, GM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Liao, Zhi/G-3729-2013 NR 6 TC 2 Z9 2 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 78421D DI 10.1117/12.867648 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000041 ER PT S AU Adams, JJ Bolourchi, M Bude, JD Guss, GM Matthews, MJ Nostrand, MC AF Adams, J. J. Bolourchi, M. Bude, J. D. Guss, G. M. Matthews, M. J. Nostrand, M. C. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Results of applying a non-evaporative mitigation technique to laser-initiated surface damage on fused-silica SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Fused-silica; SiO2; surface damage; damage mitigation; CO2 laser mitigation; CO2 lasers; downstream intensification; residual stress ID GROWTH; CO2-LASER; OPTICS AB We present results from a study to determine an acceptable CO2 laser-based non-evaporative mitigation protocol for use on surface damage sites in fused-silica optics. A promising protocol is identified and evaluated on a set of surface damage sites created under ICF-type laser conditions. Mitigation protocol acceptability criteria for damage re-initiation and growth, downstream intensification, and residual stress are discussed. In previous work [1], we found that a power ramp at the end of the protocol effectively minimizes the residual stress (<25 MPa) left in the substrate. However, the biggest difficulty in determining an acceptable protocol was balancing between low re-initiation and problematic downstream intensification. Typical growing surface damage sites mitigated with a candidate CO2 laser-based mitigation protocol all survived 351 nm, 5 ns damage testing to fluences >12.5 J/cm(2). The downstream intensification arising from the mitigated sites is evaluated, and all but one of the sites has 100% passing downstream damage expectation values. We demonstrate, for the first time, a successful non-evaporative 10.6 mu m CO2 laser mitigation protocol applicable to fused-silica optics used on fusion-class lasers like the National Ignition Facility (NIF). C1 [Adams, J. J.; Bolourchi, M.; Bude, J. D.; Guss, G. M.; Matthews, M. J.; Nostrand, M. C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Adams, JJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-592, Livermore, CA 94550 USA. EM adams29@llnl.gov NR 10 TC 13 Z9 13 U1 0 U2 16 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 PROC SPIE PY 2010 VL 7842 AR 784223 DI 10.1117/12.867652 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000058 ER PT S AU Bass, IL Guss, GM Nostrand, MJ Wegner, PJ AF Bass, Isaac L. Guss, Gabriel M. Nostrand, Michael J. Wegner, Paul J. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI An Improved Method of Mitigating Laser Induced Surface Damage Growth in Fused Silica Using a Rastered, Pulsed CO2 Laser SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Mitigation; surface damage; fused silica; CO2 laser; pulsed ID GALVANOMETER SCANNED CO2-LASER; OPTICS AB A new method of mitigating (arresting) the growth of large (> 200 m diameter and depth) laser induced surface damage on fused silica has been developed that successfully addresses several issues encountered with our previously-reported(5,6) large site mitigation technique. As in the previous work, a tightly-focused 10.6 mu m CO2 laser spot is scanned over the damage site by galvanometer steering mirrors. In contrast to the previous work, the laser is pulsed instead of CW, with the pulse length and repetition frequency chosen to allow substantial cooling between pulses. This cooling has the important effect of reducing the heat-affected zone capable of supporting thermo-capillary flow from scale lengths on the order of the overall scan pattern to scale lengths on the order of the focused laser spot, thus preventing the formation of a raised rim around the final mitigation site and its consequent down-stream intensification. Other advantages of the new method include lower residual stresses, and improved damage threshold associated with reduced amounts of re-deposited material. The raster patterns can be designed to produce specific shapes of the mitigation pit including cones and pyramids. Details of the new technique and its comparison with the previous technique will be presented. C1 [Bass, Isaac L.; Guss, Gabriel M.; Nostrand, Michael J.; Wegner, Paul J.] Lawrence Livermore Natl Lab, Lawrence Livermore Natl Secur LLC, Livermore, CA 94550 USA. RP Bass, IL (reprint author), Lawrence Livermore Natl Lab, Lawrence Livermore Natl Secur LLC, Livermore, CA 94550 USA. EM bass1@llnl.gov NR 11 TC 33 Z9 34 U1 2 U2 18 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 PROC SPIE PY 2010 VL 7842 AR 784220 DI 10.1117/12.867862 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000056 ER PT S AU Bellum, J Kletecka, D Kimmel, M Rambo, P Smith, I Schwarz, J Atherton, B Hobbs, Z Smith, D AF Bellum, John Kletecka, Damon Kimmel, Mark Rambo, Patrick Smith, Ian Schwarz, Jens Atherton, Briggs Hobbs, Zachary Smith, Douglas BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Laser damage by ns and sub-ps pulses on hafnia/silica anti-reflection coatings on fused silica double-sided polished using zirconia or ceria and washed with or without an alumina wash step SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE laser induced damage threshold; ns and sub-ps pulse laser damage; anti-reflection optical coatings; ceria and zirconia optical polishing; optical surface wash protocols AB Sandia's Large Optics Coating Operation has extensive results of laser induced damage threshold (LIDT) testing of its anti-reflection (AR) and high reflection coatings on substrates pitch polished using ceria and washed in a process that includes an alumina wash step. The purpose of the alumina wash step is to remove residual polishing compound to minimize its role in laser damage. These LIDT tests are for multi longitudinal mode, ns class pulses at 1064 nm and 532 nm (NIF-MEL protocol) and mode locked, sub-ps class pulses at 1054 nm (Sandia measurements), and show reasonably high and adequate laser damage resistance for coatings in the beam trains of Sandia's Z-Backlighter terawatt and petawatt lasers. An AR coating in addition to coatings of our previous reports confirms this with LIDTs of 33.0 J/cm(2) for 3.5 ns pulses and 1.8 J/cm(2) for 350 fs pulses. In this paper, we investigate both ceria and zirconia in double-sided polishing (common for large flat Z-Backlighter laser optics) as they affect LIDTs of an AR coating on fused silica substrates washed with or without the alumina wash step. For these AR coated, double-sided polished surfaces, ceria polishing in general affords better resistance to laser damage than zirconia polishing and laser damage is less likely with the alumina wash step than without it. This is supported by specific results of laser damage tests with 3.5 ns, multi longitudinal mode, single shot pulses at 1064 nm and 532 nm, with 7.0 ns, single and multi longitudinal mode, single and multi shot pulses at 532 nm, and with 350 fs, mode-locked, single shot pulses at 1054 nm. C1 [Bellum, John; Kletecka, Damon; Kimmel, Mark; Rambo, Patrick; Smith, Ian; Schwarz, Jens; Atherton, Briggs] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bellum, J (reprint author), Sandia Natl Labs, POB 5800,MS 1193, Albuquerque, NM 87185 USA. EM jcbellu@sandia.gov OI Bellum, John/0000-0003-2230-5553 NR 7 TC 4 Z9 4 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 784208 DI 10.1117/12.868350 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000006 ER PT S AU Carr, CW Bude, JD Shen, N Demange, P AF Carr, C. W. Bude, J. D. Shen, N. Demange, P. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Temperature activated absorption during laser-induced damage: The evolution of laser-supported solid-state absorption fronts SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Absorption mechanisms; Surface damage; initiation fused silica AB Previously we have shown that the size of laser induced damage sites in both KDP and SiO(2) is largely governed by the duration of the laser pulse which creates them. Here we present a model based on experiment and simulation that accounts for this behavior. Specifically, we show that solid-state laser-supported absorption fronts are generated during a damage event and that these fronts propagate at constant velocities for laser intensities up to 4 GW/cm(2). It is the constant absorption front velocity that leads to the dependence of laser damage site size on pulse duration. We show that these absorption fronts are driven principally by the temperature-activated deep sub band-gap optical absorptivity, free electron transport, and thermal diffusion in defect-free silica for temperatures up to 15,000K and pressures < 15GPa. In addition to the practical application of selecting an optimal laser for pre-initiation of large aperture optics, this work serves as a platform for understanding general laser-matter interactions in dielectrics under a variety of conditions. C1 [Carr, C. W.; Bude, J. D.; Shen, N.; Demange, P.] Lawrence Livermore Natl Lab, Lawrence Livermore Natl Secur LLC, Livermore, CA USA. RP Carr, CW (reprint author), Mailstop L-592, Livermore, CA 94550 USA. EM carr19@llnl.gov RI Carr, Chris/F-7163-2013 NR 16 TC 1 Z9 1 U1 1 U2 11 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 78420N DI 10.1117/12.867723 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000018 ER PT S AU Demos, SG Raman, RN Negres, RA AF Demos, Stavros G. Raman, Rajesh N. Negres, Raluca A. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Imaging the early material response associated with exit surface damage in fused silica SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Time-resolved imaging; microscopy; fused silica; surface damage initiation; damage growth ID LASER-INDUCED DAMAGE; GROWTH; NM AB The processes involved at the onset of damage initiation on the surface of fused silica have been a topic of extensive discussion and thought for more than four decades. Limited experimental results have helped develop models covering specific aspects of the process. In this work we present the results of an experimental study aiming at imaging the material response from the onset of the observation of material modification during exposure to the laser pulse through the time point at which material ejection begins. The system involves damage initiation using a 355 nm pulse, 7.8 ns FWHM in duration and imaging of the affected material volume with spatial resolution on the order of 1 mu m using as strobe light a 150 ps laser pulse that is appropriately timed with respect to the pump pulse. The observations reveal that the onset of material modification is associated with regions of increased absorption, i.e., formation of an electronic excitation, leading to a reduction in the probe transmission to only a few percent within a time interval of about 1 ns. This area is subsequently rapidly expanding with a speed of about 1.2 mu m/ns and is accompanied by the formation and propagation of radial cracks. These cracks appear to initiate about 2 ns after the start of the expansion of the modified region. The damage sites continue to grow for about 25 ns but the mechanism of expansion after the termination of the laser pulse is via formation and propagation of lateral cracks. During this time, the affected area of the surface appears to expand forming a bulge of about 40 mu m in height. The first clear observation of material cluster ejection is noted at about 50 ns delay. C1 [Demos, Stavros G.; Raman, Rajesh N.; Negres, Raluca A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Demos, SG (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM demos1@llnl.gov NR 16 TC 0 Z9 0 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 PROC SPIE PY 2010 VL 7842 AR 78420M DI 10.1117/12.867724 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000017 ER PT S AU Feit, MD Matthews, MJ Soules, TF Stolken, JS Vignes, RM Yang, ST Cooke, JD AF Feit, M. D. Matthews, M. J. Soules, T. F. Stolken, J. S. Vignes, R. M. Yang, S. T. Cooke, J. D. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Densification and residual stress induced by CO(2) laser-based mitigation of SiO(2) surfaces SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE fused silica; laser damage mitigation; densification; structural relaxation ID FUSED-SILICA AB Knowing the ultimate surface morphology resulting from CO(2) laser mitigation of induced laser damage is important both for determining adequate treatment protocols, and for preventing deleterious intensification upon subsequent illumination of downstream optics. Physical effects such as evaporation, viscous flow and densification can strongly affect the final morphology of the treated site. Evaporation is a strong function of temperature and will play a leading role in determining pit shapes when the evaporation rate is large, both because of material loss and redeposition. Viscous motion of the hot molten material during heating and cooling can redistribute material due to surface tension gradients (Marangoni effect) and vapor recoil pressure effects. Less well known, perhaps, is that silica can densify as a result of structural relaxation, to a degree depending on the local thermal history. The specific volume shrinkage due to structural relaxation can be mistaken for material loss due to evaporation. Unlike evaporation, however, local density change can be reversed by post annealing. All of these effects must be taken into account to adequately describe the final morphology and optical properties of single and multiple-pass mitigation protocols. We have investigated, experimentally and theoretically, the significance of such densification on residual stress and under what circumstances it can compete with evaporation in determining the ultimate post treatment surface shape. In general, understanding final surface configurations requires taking all these factors including local structural relaxation densification, and therefore the thermal history, into account. We find that surface depressions due to densification can dominate surface morphology in the non-evaporative regime when peak temperatures are below 2100K. C1 [Feit, M. D.; Matthews, M. J.; Soules, T. F.; Stolken, J. S.; Vignes, R. M.; Yang, S. T.; Cooke, J. D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Feit, MD (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-491, Livermore, CA 94551 USA. RI Feit, Michael/A-4480-2009 NR 18 TC 10 Z9 10 U1 1 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 78420O DI 10.1117/12.867727 PG 5 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000019 ER PT S AU Heebner, J Borden, M Miller, P Stolz, C Suratwala, T Wegner, P Hermann, M Henesian, M Haynam, C Hunter, S Christensen, K Wong, N Seppala, L Brunton, G Tse, E Awwal, A Franks, M Marley, E Williams, K Scanlan, M Budge, T Monticelli, M Walmer, D Dixit, S Widmayer, C Wolfe, J Bude, J McCarty, K DiNicola, JM AF Heebner, John Borden, Michael Miller, Phil Stolz, Christopher Suratwala, Tayyab Wegner, Paul Hermann, Mark Henesian, Mark Haynam, Chris Hunter, Steve Christensen, Kim Wong, Nan Seppala, Lynn Brunton, Gordon Tse, Eddy Awwal, Abdul Franks, Mark Marley, Ed Williams, Kevin Scanlan, Michael Budge, Tracy Monticelli, Marcus Walmer, Dan Dixit, Sham Widmayer, Clay Wolfe, Justin Bude, Jeff McCarty, Kelly DiNicola, Jean-Michel BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI A Programmable Beam Shaping System for Tailoring the Profile of High Fluence Laser Beams SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE spatial light modulators; liquid crystal; bismuth silicon oxide; beam shaping; optical damage; high fluence; HEDP AB Customized spatial light modulators have been designed and fabricated for use as precision beam shaping devices in fusion class laser systems. By inserting this device in a low-fluence relay plane upstream of the amplifier chain, "blocker" obscurations can be programmed into the beam profile to shadow small isolated flaws on downstream optical components that might otherwise limit the system operating energy. In this two stage system, 1920 x 1080 bitmap images are first imprinted on incoherent, 470 nm address beams via pixelated liquid crystal on silicon (LCoS) modulators. To realize defined masking functions with smooth apodized shapes and no pixelization artifacts, address beam images are projected onto custom fabricated optically-addressable light valves. Each valve consists of a large, single pixel liquid cell in series with a photoconductive Bismuth silicon Oxide (BSO) crystal. The BSO crystal enables bright and dark regions of the address image to locally control the voltage supplied to the liquid crystal layer which in turn modulates the amplitude of the coherent beams at 1053 nm. Valves as large as 24 mm x 36 mm have been fabricated with low wavefront distortion (<0.5 waves) and antireflection coatings for high transmission (>90%) and etalon suppression to avoid spectral and temporal ripple. This device in combination with a flaw inspection system and optic registration strategy represents a new approach for extending the operational lifetime of high fluence laser optics. C1 [Heebner, John; Borden, Michael; Miller, Phil; Stolz, Christopher; Suratwala, Tayyab; Wegner, Paul; Hermann, Mark; Henesian, Mark; Haynam, Chris; Hunter, Steve; Christensen, Kim; Wong, Nan; Seppala, Lynn; Brunton, Gordon; Tse, Eddy; Awwal, Abdul; Franks, Mark; Marley, Ed; Williams, Kevin; Scanlan, Michael; Budge, Tracy; Monticelli, Marcus; Walmer, Dan; Dixit, Sham; Widmayer, Clay; Wolfe, Justin; Bude, Jeff; McCarty, Kelly; DiNicola, Jean-Michel] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Heebner, J (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94551 USA. RI Heebner, John/C-2411-2009; Suratwala, Tayyab/A-9952-2013 OI Suratwala, Tayyab/0000-0001-9086-1039 NR 5 TC 6 Z9 7 U1 1 U2 11 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 78421C DI 10.1117/12.867728 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000040 ER PT S AU Kimmel, M Rambo, P Schwarz, J Bellum, JC Atherton, B AF Kimmel, Mark Rambo, Patrick Schwarz, Jens Bellum, John C. Atherton, Briggs BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Dual Wavelength Laser Damage Testing for High Energy Lasers SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res ID SYSTEM AB As high energy laser systems evolve towards higher energies, fundamental material properties such as the laser-induced damage threshold (LIDT) of the optics limit the overall system performance. The Z-Backlighter Laser Facility at Sandia National Laboratories uses a pair of such kiljoule-class Nd:Phosphate Glass lasers for x-ray radiography of high energy density physics events on the Z-Accelerator. These two systems, the Z-Beamlet system operating at 527nm/1ns and the Z-Petawatt system operating at 1054nm/0.5ps, can be combined for some experimental applications. In these scenarios, dichroic beam combining optics and subsequent dual wavelength high reflectors will see a high fluence from combined simultaneous laser exposure and may even see lingering effects when used for pump-probe configurations. Only recently have researchers begun to explore such concerns, looking at individual and simultaneous exposures of optics to 1064 and third harmonic 355nm light from Nd: YAG [1]. However, to our knowledge, measurements of simultaneous and delayed dual wavelength damage thresholds on such optics have not been performed for exposure to 1054nm and its second harmonic light, especially when the pulses are of disparate pulse duration. The Z-Backlighter Facility has an instrumented damage tester setup to examine the issues of laser-induced damage thresholds in a variety of such situations [2]. Using this damage tester, we have measured the LIDT of dual wavelength high reflectors at 1054nm/0.5ps and 532nm/7ns, separately and spatially combined, both co-temporal and delayed, with single and multiple exposures. We found that the LIDT of the sample at 1054nm/0.5ps can be significantly lowered, from 1.32J/cm(2) damage fluence with 1054/0.5ps only to 1.05 J/cm(2) with the simultaneous presence of 532nm/7ns laser light at a fluence of 8.1 J/cm(2). This reduction of LIDT of the sample at 1054nm/0.5ps continues as the fluence of 532nm/7ns laser light simultaneously present increases. The reduction of LIDT does not occur when the 2 pulses are temporally separated. This paper will also present dual wavelength LIDT results of commercial dichroic beam-combining optics simultaneously exposed with laser light at 1054nm/2.5ns and 532nm/7ns. C1 [Kimmel, Mark; Rambo, Patrick; Schwarz, Jens; Bellum, John C.; Atherton, Briggs] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kimmel, M (reprint author), Sandia Natl Labs, POB 5800,MS 1193, Albuquerque, NM 87185 USA. OI Bellum, John/0000-0003-2230-5553 NR 6 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 78421O DI 10.1117/12.867743 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000047 ER PT S AU Menapace, JA AF Menapace, Joseph A. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Developing Magnetorheological Finishing (MRF) Technology for the Manufacture of Large-Aperture Optics in Megajoule Class Laser Systems SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Optical finishing; computer numerical control; magnetorheological finishing; KDP; MRF; nonaqueous MR fluids; carbonyl iron; magnetorheological fluids; continuous phase plates; subsurface damage ID FUSED-SILICA; DAMAGE AB Over the last eight years we have been developing advanced MRF tools and techniques to manufacture meter-scale optics for use in Megajoule class laser systems. These systems call for optics having unique characteristics that can complicate their fabrication using conventional polishing methods. First, exposure to the high-power nanosecond and sub-nanosecond pulsed laser environment in the infrared (>27 J/cm(2) at 1053 nm), visible (>18 J/cm(2) at 527 nm), and ultraviolet (>10 J/cm(2) at 351 nm) demands ultra-precise control of optical figure and finish to avoid intensity modulation and scatter that can result in damage to the optics chain or system hardware. Second, the optics must be super-polished and virtually free of surface and subsurface flaws that can limit optic lifetime through laser-induced damage initiation and growth at the flaw sites, particularly at 351 nm. Lastly, ultra-precise optics for beam conditioning are required to control laser beam quality. These optics contain customized surface topographical structures that cannot be made using traditional fabrication processes. In this review, we will present the development and implementation of large-aperture MRF tools and techniques specifically designed to meet the demanding optical performance challenges required in large-aperture high-power laser systems. In particular, we will discuss the advances made by using MRF technology to expose and remove surface and subsurface flaws in optics during final polishing to yield optics with improve laser damage resistance, the novel application of MRF deterministic polishing to imprint complex topographical information and wavefront correction patterns onto optical surfaces, and our efforts to advance the technology to manufacture large-aperture damage resistant optics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Menapace, JA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-491, Livermore, CA 94550 USA. EM menapace1@llnl.gov; menapace1@llnl.gov NR 32 TC 5 Z9 5 U1 2 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 78421W DI 10.1117/12.855603 PG 14 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000052 ER PT S AU Nguyen, HT Larson, CC Britten, JA AF Nguyen, Hoang T. Larson, Cindy C. Britten, Jerald A. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Improvement of Laser Damage Resistance and Diffraction Efficiency of Multilayer Dielectric Diffraction Gratings by HF-Etchback Linewidth Tailoring SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res ID PETAWATT LASER; THRESHOLD; PULSES AB Multilayer dielectric (MLD) diffraction gratings(1) for Petawatt-class laser systems possess unique laser damage characteristics. Details of the shape of the grating lines(2,3) and the concentration of absorbing impurities on the surface of the grating structures both have strong effects on laser damage threshold. It is known that electric field enhancement in the solid material comprising the grating lines varies directly with the linewidth and inversely with the line height for equivalent diffraction efficiency(2,3). Here, we present an overview of laser damage characteristics of MLD gratings, and describe a process for post-processing ion-beam etched grating lines using very dilute buffered hydrofluoric acid solutions. This process acts simultaneously to reduce grating linewidth and remove surface contaminants, thereby improving laser damage thresholds through two pathways. C1 [Nguyen, Hoang T.; Larson, Cindy C.; Britten, Jerald A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Nguyen, HT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 13 TC 4 Z9 4 U1 2 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 PROC SPIE PY 2010 VL 7842 AR 78421H DI 10.1117/12.867921 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000044 ER PT S AU Norton, MA Carr, CW Cross, DA Negres, RA Bude, JD Steele, WA Monticelli, MV Suratwala, TI AF Norton, Mary A. Carr, C. Wren Cross, David A. Negres, Raluca A. Bude, Jeffrey D. Steele, William A. Monticelli, Marcus V. Suratwala, Tayyab I. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Determination of laser damage initiation probability and growth on fused silica scratches SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Surface damage; laser damage growth; laser damage fused silica; fused silica scratches AB Current methods for the manufacture of optical components inevitably leaves a variety of sub-surface imperfections including scratches of varying lengths and widths on even the finest finishes. It has recently been determined that these finishing imperfections are responsible for the majority of laser-induced damage for fluences typically used in ICF class lasers. We have developed methods of engineering subscale parts with a distribution of scratches mimicking those found on full scale fused silica parts. This much higher density of scratches provides a platform to measure low damage initiation probabilities sufficient to describe damage on large scale optics. In this work, damage probability per unit scratch length was characterized as a function of initial scratch width and post fabrication processing including acidbased etch mitigation processes. The susceptibility of damage initiation density along scratches was found to be strongly affected by the post etching material removal and initial scratch width. We have developed an automated processing procedure to document the damage initiations per width and per length of theses scratches. We show here how these tools can be employed to provide predictions of the performance of full size optics in laser systems operating at 351 nm. In addition we use these tools to measure the growth rate of a damage site initiated along a scratch and compare this to the growth measured on an isolated damage site. C1 [Norton, Mary A.; Carr, C. Wren; Cross, David A.; Negres, Raluca A.; Bude, Jeffrey D.; Steele, William A.; Monticelli, Marcus V.; Suratwala, Tayyab I.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Norton, MA (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94551 USA. EM mnorton@llnl.gov RI Suratwala, Tayyab/A-9952-2013; Carr, Chris/F-7163-2013 OI Suratwala, Tayyab/0000-0001-9086-1039; NR 9 TC 5 Z9 5 U1 1 U2 16 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 PROC SPIE PY 2010 VL 7842 AR 784218 DI 10.1117/12.867734 PG 9 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000037 ER PT S AU Qiu, SR Wolfe, JE Monterrosa, A Steele, WA Teslich, NE Feit, MD Pistor, TV Stolz, CJ AF Qiu, S. Roger Wolfe, Justin E. Monterrosa, AnthonyM. Steele, William A. Teslich, Nick E. Feit, Michael D. Pistor, Thomas V. Stolz, Christopher J. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Impact of substrate surface scratches on the laser damage resistance of multilayer coatings SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Laser-induced damage; substrate scratch; light intensification; FIB; FDTD; multilayer coating ID INTENSIFICATION; ABSORPTION AB Substrate scratches can limit the laser resistance of multilayer mirror coatings on high-peak-power laser systems. To date, the mechanism by which substrate surface defects affect the performance of coating layers under high power laser irradiation is not well defined. In this study, we combine experimental approaches with theoretical simulations to delineate the correlation between laser damage resistance of coating layers and the physical properties of the substrate surface defects including scratches. A focused ion beam technique is used to reveal the morphological evolution of coating layers on surface scratches. Preliminary results show that coating layers initially follow the trench morphology on the substrate surface, and as the thickness increases, gradually overcoat voids and planarize the surface. Simulations of the electrical-field distribution of the defective layers using the finite-difference time-domain (FDTD) method show that field intensification exists mostly near the top surface region of the coating near convex focusing structures. The light intensification could be responsible for the reduced damage threshold. Damage testing under 1064 nm, 3 ns laser irradiation over coating layers on substrates with designed scratches show that damage probability and threshold of the multilayer depend on substrate scratch density and width. Our preliminary results show that damage occurs on the region of the coating where substrate scratches reside and etching of the substrate before coating does not seem to improve the laser damage resistance. C1 [Qiu, S. Roger; Wolfe, Justin E.; Steele, William A.; Feit, Michael D.; Stolz, Christopher J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Qiu, SR (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM qiu2@llnl.gov RI Feit, Michael/A-4480-2009 NR 16 TC 8 Z9 8 U1 2 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 78421X DI 10.1117/12.867740 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000053 ER PT S AU Soules, TF Gilmer, GH Matthews, MJ Stolken, JS Feit, MD AF Soules, Thomas F. Gilmer, George H. Matthews, Manyalibo J. Stolken, James S. Feit, Michael D. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI An Assessment of Molecular Dynamic Force Fields for Silica for Use in Simulating Laser Damage Mitigation SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE Molecular dynamics; silica structure; silica glass properties; laser damage mitigation AB We compare force fields (FF's) that have been used in molecular dynamic (MD) simulations of silica in order to assess their applicability for use in simulating IR-laser damage mitigation. Although pairwise FF's obtained by fitting quantum mechanical calculations such as the BKS and CHIK potentials have been shown to reproduce many of the properties of silica including the stability of silica polymorphs and the densification of the liquid, we show that melting temperatures and fictive temperatures are much too high. Softer empirical force fields give liquid and glass properties at experimental temperatures but may not predict all properties important to laser mitigation experiments. C1 [Soules, Thomas F.; Gilmer, George H.; Matthews, Manyalibo J.; Stolken, James S.; Feit, Michael D.] Lawrence Livermore Natl Lab, Natl Ignit Facil, Livermore, CA 94550 USA. RP Soules, TF (reprint author), Lawrence Livermore Natl Lab, Natl Ignit Facil, 7000 East Ave, Livermore, CA 94550 USA. RI Feit, Michael/A-4480-2009 NR 8 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 PROC SPIE PY 2010 VL 7842 AR 78420P DI 10.1117/12.867741 PG 9 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000020 ER PT S AU Stolz, CJ Caputo, M Griffin, AJ Thomas, MD AF Stolz, Christopher J. Caputo, Mark Griffin, Andrew J. Thomas, Michael D. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI BDS Thin Film UV Antireflection Laser Damage Competition SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE laser damage testing; antireflection coating; thin film; multilayer; ultraviolet; nanosecond laser AB UV antireflection coatings are a challenging coating for high power laser applications as exemplified by the use of uncoated Brewster's windows in laser cavities. In order to understand the current laser resistance of UV AR coatings in the industrial and university sectors, a double blind laser damage competition was performed. The coatings have a maximum reflectance of 0.5% at 355 nm at normal incidence. Damage testing will be performed using the raster scan method with a 7.5 ns pulse length on a single testing facility to facilitate direct comparisons. In addition to the laser resistance results, details of deposition processes and coating materials will also be shared. C1 [Stolz, Christopher J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Stolz, CJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-491, Livermore, CA 94550 USA. NR 6 TC 11 Z9 11 U1 3 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 PROC SPIE PY 2010 VL 7842 AR 784206 DI 10.1117/12.867742 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000004 ER PT S AU Yang, ST Matthews, MJ Elhadj, S Cooke, D Guss, GM Draggoo, VG Wegner, PJ AF Yang, Steven T. Matthews, Manyalibo J. Elhadj, Selim Cooke, Diane Guss, Gabriel M. Draggoo, Vaughn G. Wegner, Paul J. BE Exarhos, GJ Gruzdev, VE Menapace, JA Ristau, D Soileau, MJ TI Comparing the use of 4.6 mu m lasers versus 10.6 mu m lasers for mitigating damage site growth on fused silica surfaces SO LASER-INDUCED DAMAGE IN OPTICAL MATERIALS: 2010 SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT 42nd Annual Laser Damage Symposium CY SEP 26-29, 2010 CL Boulder, CO SP SPIE, Lawrence Livermore Natl Lab, Spica Technol, Inc., Off Naval Res DE laser machining; CO(2) laser; fused silica damage mitigation ID TEMPERATURE AB The advantage of using mid-infrared (IR) 4.6 mu m lasers, versus far-infrared 10.6 mu m lasers, for mitigating damage growth on fused silica is investigated. In contrast to fused silica's high absorption at 10.6 mu m, silica absorption at 4.6 mu m is two orders of magnitude less. The much reduced absorption at 4.6 mu m enables deep heat penetration into fused silica when it is heated using the mid-IR laser, which in turn leads to more effective mitigation of damage sites with deep cracks. The advantage of using mid-IR versus far-IR laser for damage growth mitigation under non-evaporative condition is quantified by defining a figure of merit (FOM) that relates the crack healing depth to laser power required. Based on our FOM, we show that for damage cracks up to at least 500 mu m in depth, mitigation using a 4.6 mu m mid-IR laser is more efficient than mitigation using a 10.6 mu m far-IR laser. C1 [Yang, Steven T.; Matthews, Manyalibo J.; Elhadj, Selim; Cooke, Diane; Guss, Gabriel M.; Draggoo, Vaughn G.; Wegner, Paul J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Yang, ST (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM yang9@llnl.gov NR 11 TC 4 Z9 4 U1 3 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8365-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7842 AR 784219 DI 10.1117/12.867747 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BTQ39 UT WOS:000287765000038 ER PT S AU Shinn, M AF Shinn, Michelle BE Schaaf, P TI Basics of Lasers and Laser Optics SO LASER PROCESSING OF MATERIALS: FUNDAMENTALS, APPLICATIONS AND DEVELOPMENTS SE Springer Series in Materials Science LA English DT Article; Book Chapter ID X-RAY LASER; DOPED FIBER AMPLIFIER AB The purpose of this chapter is to introduce the entering professional or graduate student to the basics of laser physics and optics. I start with the various types of lasers, some rather exotic, and the ever-increasing span of wavelengths that has resulted since the laser's invention in 1960. I then discuss typical techniques as well as the "rules of thumb" used to transport and manipulate the laser output so it can be used for materials processing The chapter concludes with a discussion of laser damage. as these physical processes limit the ability to transport and manipulate high intensity beams C1 Thomas Jefferson Natl Accelerator Facil, Free Elect Laser Div, Newport News, VA 23606 USA. RP Shinn, M (reprint author), Thomas Jefferson Natl Accelerator Facil, Free Elect Laser Div, Newport News, VA 23606 USA. NR 33 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0933-033X BN 978-3-642-13280-3 J9 SPRINGER SER MATER S PY 2010 VL 139 BP 5 EP 20 D2 10.1007/978-3-642-13281-0 PG 16 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Science & Technology - Other Topics; Materials Science; Optics GA BQJ91 UT WOS:000281194800002 ER PT S AU Hehlen, MP AF Hehlen, Markus P. BE Epstein, RI SheikBahae, M TI Crystal-field effects in fluoride crystals for optical refrigeration SO LASER REFRIGERATION OF SOLIDS III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Refrigeration of Solids III CY JAN 28, 2010 CL San Francisco, CA SP SPIE DE Solid-state laser cooling; optical refrigeration; cryogenics; ytterbium; fluoride crystal; crystal-field interaction; crystal-field splitting; crystal-field strength ID UP-CONVERSION; SPECTROSCOPIC PROPERTIES; LASER EXCITATION; ENERGY-LEVELS; LIYF4; EMISSION; MODEL; ABSORPTION; PREDICTION; PARAMETERS AB The total crystal-field splitting of the F-2(7/2) ground-state multiplet of Yb3+ critically determines the cooling efficiency of an optical refrigerator. Crystals with a small F-2(7/2) splitting maintain a sizeable thermal population of the initial state of the pumped crystal-field transition at low temperatures, leading to a workable laser-cooling efficiency in the application-relevant cryogenic regime below 120 K. A comprehensive review of the crystal-field splitting of L-(2S+ 1)((J)) multiplets in rare-earth-doped fluoride crystals is presented. The concept of crystal-field strength is used to predict the splitting of the F-2(7/2) ground-state multiplet from other fluoride crystals doped with other rare earth ions. The analysis correctly predicts the typical 350-450 cm(-1) total splitting of F-2(7/2) in fluorides, but the accuracy of the method is found to be rather limited. LiKYF5, K2YF5, and Cs(2)KLnF(6) are predicted to have large F-2(7/2) splittings that are unfavorable for laser cooling. KY3F10, YLiF4, LuLiF4, and GdLiF4 are among the group of crystals expected to have small F-2(7/2) splittings and currently appear to be the most promising hosts for laser cooling with Yb3+. LiBiF4:Yb3+ may have a <350 cm(-1) F-2(7/2) splitting and warrants further study. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hehlen, MP (reprint author), Los Alamos Natl Lab, Mailstop J964, Los Alamos, NM 87545 USA. EM hehlen@lanl.gov NR 48 TC 6 Z9 6 U1 1 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8010-1 J9 PROC SPIE PY 2010 VL 7614 AR 761404 DI 10.1117/12.845626 PG 12 WC Thermodynamics; Optics; Physics, Applied SC Thermodynamics; Optics; Physics GA BSN20 UT WOS:000284997000002 ER PT S AU Rakich, PT Wang, Z Popovic, MA AF Rakich, Peter T. Wang, Zheng Popovic, Milos A. BE Kudryashov, AV Paxton, AH Ilchenko, VS Aschke, L TI Engineering optical forces in waveguides and cavities based on optical response SO LASER RESONATORS AND BEAM CONTROL XII SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Laser Resonators and Beam Control XII CY JAN 24-27, 2010 CL San Francisco, CA SP SPIE DE Optomechanics; optical forces; gradient forces; microcavity; waveguide ID RADIATION-PRESSURE; MIRROR; POTENTIALS; PARTICLES; RESONANCE; SYSTEMS; FIELD AB We present a new treatment of optical forces, revealing that the forces in virtually all optomechanically variable systems can be computed exactly and simply from only the optical phase and amplitude response of the system. This treatment, termed the response theory of optical forces (or RTOF), provides conceptual clarity to the essential physics of optomechanical systems, which computationally intensive Maxwell stress-tensor analyses leave obscured, enabling the construction simple models with which optical forces and trapping potentials can be synthesized based on the optical response of optomechanical systems. A theory of optical forces, based on the optical response of systems, is advantageous since the phase and amplitude response of virtually any optomechanical system (involving waveguides, ring resonators or photonic crystals) can be derived, with relative ease, through well-established analytical theories. In contrast, conventional Maxwell stress tensor methods require the computation of complex 3-dimensional electromagnetic field distributions; making a theory for the synthesis of optical forces exceedingly difficult. Through numerous examples, we illustrate that the optical forces generated in complex waveguide and microcavity systems can be computed exactly through use of analytical scattering-matrix methods. When compared with Maxwell stress-tensor methods of force computation, perfect agreement is found. C1 [Rakich, Peter T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rakich, PT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ptrakic@sandia.gov NR 37 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7975-4 J9 P SOC PHOTO-OPT INS PY 2010 VL 7579 AR 75790C DI 10.1117/12.848475 PG 15 WC Optics; Physics, Applied SC Optics; Physics GA BSM42 UT WOS:000284931500007 ER PT S AU Geohegan, DB Puretzky, AA Rouleau, C Jackson, J Eres, G Liu, ZQ Styers-Barnett, D Hu, H Zhao, B Ivanov, I Xiao, K More, K AF Geohegan, David B. Puretzky, Alex A. Rouleau, Chris Jackson, Jeremy Eres, Gyula Liu, Zuqin Styers-Barnett, David Hu, Hui Zhao, Bin Ivanov, Ilia Xiao, Kai More, Karren BE Miotello, A Ossi, PM TI Laser Interactions in Nanomaterials Synthesis SO LASER-SURFACE INTERACTIONS FOR NEW MATERIALS PRODUCTION: TAILORING STRUCTURE AND PROPERTIES SE Springer Series in Materials Science LA English DT Article; Book Chapter ID CHEMICAL-VAPOR-DEPOSITION; CARBON NANOTUBE SYNTHESIS; PLUME PROPAGATION; GROWTH; DYNAMICS; ABLATION; VAPORIZATION AB Laser interactions with materials have unique advantages for exploring the rapid synthesis, processing, and in situ characterization of high-quality and novel nanoparticles, nanotubes, and nanowires. For example, laser vaporization of solids into background gases provides a wide range of processing conditions for the formation of nanomaterials by both catalyst-free and catalyst-assisted growth processes. laser interactions with the growing nanomaterials provide remote in situ characterization of their size, structure, and composition with unprecedented temporal resolution. In this article, laser interactions involved in the synthesis of primarily carbon nanostructures are reviewed, including the catalyst-free synthesis of single-walled carbon nanohorns and quantum dots, to the catalyst-assisted growth of single- and multi-walled carbon nanotubes. C1 [Geohegan, David B.; Puretzky, Alex A.; Rouleau, Chris; Jackson, Jeremy; Liu, Zuqin; Styers-Barnett, David; Zhao, Bin; Ivanov, Ilia; Xiao, Kai] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Geohegan, David B.; Puretzky, Alex A.; Rouleau, Chris; Jackson, Jeremy; Eres, Gyula; Hu, Hui; Ivanov, Ilia; More, Karren] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN 37831 USA. [Geohegan, David B.; Puretzky, Alex A.; Rouleau, Chris; Jackson, Jeremy; Eres, Gyula; Hu, Hui; Ivanov, Ilia; More, Karren] Oak Ridge Natl Lab, Div Technol, Oak Ridge, TN 37831 USA. RP Geohegan, DB (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM geohegandb@ornl.gov NR 31 TC 6 Z9 6 U1 1 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0933-033X BN 978-3-642-03306-3 J9 SPRINGER SER MATER S PY 2010 VL 130 BP 1 EP 17 D2 10.1007/978-3-642-03307-0 PG 17 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films SC Materials Science GA BOL79 UT WOS:000276961000001 ER PT S AU Dawson, JW Messerly, MJ Heebner, JE Pax, PH Sridharan, AK Bullington, AL Beach, RJ Siders, CW Barty, CPJ Dubinskii, M AF Dawson, Jay W. Messerly, Michael J. Heebner, John E. Pax, Paul H. Sridharan, Arun K. Bullington, Amber L. Beach, Raymond J. Siders, Craig W. Barty, C. P. J. Dubinskii, Mark BE Dubinskii, M Post, SG TI Power scaling analysis of fiber lasers and amplifiers based on non-silica materials SO LASER TECHNOLOGY FOR DEFENSE AND SECURITY VI SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Laser Technology for Defense and Security VI CY APR 05-06, 2010 CL Orlando, FL SP SPIE DE Fiber laser; high power laser; fiber amplifier; power scaling ID CRYSTALS AB A developed formalism(1) for analyzing the power scaling of diffraction limited fiber lasers and amplifiers is applied to a wider range of materials. Limits considered include thermal rupture, thermal lensing, melting of the core, stimulated Raman scattering, stimulated Brillouin scattering, optical damage, bend induced limits on core diameter and limits to coupling of pump diode light into the fiber. For conventional fiber lasers based upon silica, the single aperture, diffraction limited power limit was found to be 36.6kW. This is a hard upper limit that results from an interaction of the stimulated Raman scattering with thermal lensing. This result is dependent only upon physical constants of the material and is independent of the core diameter or fiber length. Other materials will have different results both in terms of ultimate power out and which of the many limits is the determining factor in the results. Materials considered include silica doped with Tm and Er, YAG and YAG based ceramics and Yb doped phosphate glass. Pros and cons of the various materials and their current state of development will be assessed. In particular the impact of excess background loss on laser efficiency is discussed. C1 [Dawson, Jay W.; Messerly, Michael J.; Heebner, John E.; Pax, Paul H.; Sridharan, Arun K.; Bullington, Amber L.; Beach, Raymond J.; Siders, Craig W.; Barty, C. P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Dawson, JW (reprint author), Lawrence Livermore Natl Lab, L-470,POB 808, Livermore, CA 94551 USA. RI Heebner, John/C-2411-2009 NR 27 TC 21 Z9 24 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8150-4 J9 P SOC PHOTO-OPT INS PY 2010 VL 7686 AR 768611 DI 10.1117/12.852393 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BSS86 UT WOS:000285717900027 ER PT S AU Tulimilli, BR Majumdar, P Kostic, M Lottes, SA AF Tulimilli, B. R. Majumdar, P. Kostic, M. Lottes, S. A. BE Jha, M TI Development of CFD Simulation for 3-D Flooding Flow and Scouring Around a Bridge Structure SO LATEST TRENDS ON URBAN PLANNING AND TRANSPORTATION SE International Conference on Urban Planning and Transportation-Proceedings LA English DT Proceedings Paper CT 3rd WSEAS International Conference on Urban Planning and Transportation (UPT 10) CY JUL 22-24, 2010 CL Corfu, GREECE SP WSEAS DE Bridge structures; CFD simulation; Computational fluid dynamics; Flood flows; Scour; Turbulence closure model AB Analysis of drag and lift forces and evaluation of scour around bridge structures are necessary to assess risk of bridge failure during storms and floods. Simulation of scour-hole formation under the bridge deck and around the bridge piers, due to sediment entrainment and transport caused by flooding flow conditions, is of significant interest to computational fluid dynamics (CFD) and hydraulics researchers. This study is focused on simulation of 3-D open channel turbulent flow over an inundated bridge deck to obtain the final shape and size of the scour-hole. This 3-D study extends the previous 2-D simulation scouring methodology. Solutions for flow field and turbulence, using an effective bed roughness value, are based on the Reynolds Averaged Navier-Stokes (RANS) equations, and a k-epsilon turbulence closure model using a commercial CFD code. An iterative computational methodology is developed to predict the equilibrium 3-D scour-hole using a single phase model moving boundary formulation, based on an empirical correlation for critical shear stress to determine the condition for sediment removal. The computational model has demonstrated capability to reach a converged solution for the equilibrium scour-hole shape and size that agree reasonably well with experiments. The method provides a basis for implementing enhanced particle entrainment physics and other scour model improvements in well benchmarked commercial CFD software. C1 [Tulimilli, B. R.; Majumdar, P.; Kostic, M.] No Illinois Univ, Dept Mech Engn, De Kalb, IL 60115 USA. [Lottes, S. A.] Argonne Natl Lab, West Chicago, IL 60439 USA. FU Dean Pramod Vohra, College of Engineering and Engineering Technology of Northern Illinois University (NIU); U.S.Department of Transportation (USDOT) FX The authors like to acknowledge support by Dean Pramod Vohra, College of Engineering and Engineering Technology of Northern Illinois University (NIU), and Dr. David P. Weber, Director of TRACC as well as the financial support by U.S.Department of Transportation (USDOT). NR 8 TC 0 Z9 0 U1 0 U2 4 PU WORLD SCIENTIFIC AND ENGINEERING ACAD AND SOC PI ATHENS PA AG LOANNOU THEOLOGOU 17-23, 15773 ZOGRAPHOU, ATHENS, GREECE SN 1792-4286 BN 978-960-474-204-2 J9 INT CONF URBAN PLAN PY 2010 BP 129 EP + PG 2 WC Transportation; Urban Studies SC Transportation; Urban Studies GA BZC56 UT WOS:000301093100023 ER PT S AU Roderick, O Safro, I AF Roderick, Oleg Safro, Ilya BE Blum, C Battiti, R TI Learning of Highly-Filtered Data Manifold Using Spectral Methods SO LEARNING AND INTELLIGENT OPTIMIZATION SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 4th Conference on Learning and Intelligent Optimization CY JAN 18-22, 2010 CL Venice, ITALY SP Assoc Italiana Intelligenza Artificiale, IEEE Computat Intelligence Soc, Microsoft Res, Univ Ca Foscari, Univ Trento, EnginSoft SPA ID RECOMMENDER SYSTEMS AB We propose a scheme for improving existing tools for recovering and predicting decisions based on singular value decomposition. Our main contribution is an investigation of advantages of using a functional, rather than linear approximation of the response of an unknown, complicated model. A significant attractive feature of the method is the demonstrated ability to make predictions based on a highly filtered data set. An adaptive high-order interpolation is constructed, that estimates the relative probability of each possible decision. The method uses a flexible nonlinear basis, capable of utilizing all the available information. We demonstrate that the prediction can be based on a very small fraction of the training set. The suggested approach is relevant in the general field of manifold learning, as a tool for approximating the response of the models based on many parameters. Our experiments show that the approach is at least competitive with other latent factor prediction methods, and that the precision of prediction grows with the increase in the order of the polynomial basis. C1 [Roderick, Oleg; Safro, Ilya] Argonne Natl Lab, Argonne, IL 60439 USA. RP Roderick, O (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM roderick@mcs.anl.gov; safro@mcs.anl.gov RI Safro, Ilya/D-9383-2012 NR 27 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-13799-0 J9 LECT NOTES COMPUT SC PY 2010 VL 6073 BP 154 EP 168 DI 10.1007/978-3-642-13800-3_12 PG 15 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BRJ46 UT WOS:000282833800012 ER PT B AU Ammons, SM Severson, S Armstrong, JD Crossfield, I Do, T Fitzgerald, M Harrington, D Hickenbotham, A Hunter, J Johnson, J Johnson, L Li, K Lu, J Maness, H Morzinski, K Norton, A Putnam, N Roorda, A Rossi, E Yelda, S AF Ammons, S. Mark Severson, Scott Armstrong, J. D. Crossfield, Ian Do, Tuan Fitzgerald, Mike Harrington, David Hickenbotham, Adam Hunter, Jennifer Johnson, Jess Johnson, Luke Li, Kaccie Lu, Jessica Maness, Holly Morzinski, Katie Norton, Andrew Putnam, Nicole Roorda, Austin Rossi, Ethan Yelda, Sylvana BE Hunter, L Metevier, AJ TI The Adaptive Optics Summer School Laboratory Activities SO LEARNING FROM INQUIRY IN PRACTICE SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT Conference on Learning from Inquiry in Practice CY JAN 16-17, 2010 CL Santa Cruz, CA AB Adaptive Optics (AO) is a new and rapidly expanding field of instrumentation, yet astronomers, vision scientists, and general AO practitioners are largely unfamiliar with the root technologies crucial to AO systems. The AO Summer School (AOSS), sponsored by the Center for Adaptive Optics, is a week-long course for training graduate students and postdoctoral researchers in the underlying theory, design, and use of AO systems. AOSS participants include astronomers who expect to utilize AO data, vision scientists who will use AO instruments to conduct research, opticians and engineers who design AO systems, and users of high-bandwidth laser communication systems. In this article we describe new AOSS laboratory sessions implemented in 20062009 for nearly 250 students. The activity goals include boosting familiarity with AO technologies, reinforcing knowledge of optical alignment techniques and the design of optical systems, and encouraging inquiry into critical scientific questions in vision science using AO systems as a research tool. The activities are divided into three stations: Vision Science, Fourier Optics, and the AO Demonstrator. We briefly overview these activities, which are described fully in other articles in these conference proceedings (Putnam et al., Do et al., and Harrington et al., respectively). We devote attention to the unique challenges encountered in the design of these activities, including the marriage of inquiry-like investigation techniques with complex content and the need to tune depth to a graduate- and PhD-level audience. According to before-after surveys conducted in 2008, the vast majority of participants found that all activities were valuable to their careers, although direct experience with integrated, functional AO systems was particularly beneficial. C1 [Ammons, S. Mark] Univ Arizona, Steward Observ, 933 Cherry Ave, Tucson, AZ 85721 USA. [Severson, Scott] Sonoma State Univ, Dept Phys & Astron, Rohnert Pk, CA 94928 USA. [Armstrong, J. D.] Univ Hawaii, Astron Inst, Honolulu, HI 96822 USA. [Crossfield, Ian; Do, Tuan; Yelda, Sylvana] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Fitzgerald, Mike] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. [Harrington, David] Univ Hawaii, Astron Inst, Honolulu, HI 96822 USA. [Hickenbotham, Adam; Li, Kaccie; Maness, Holly; Putnam, Nicole; Roorda, Austin; Rossi, Ethan] Univ Calif, Berkeley, CA USA. [Hunter, Jennifer] Univ Rochester, Ctr Vis Sci, Rochester, NY 14627 USA. [Johnson, Jess; Johnson, Luke; Morzinski, Katie; Norton, Andrew] Univ Calif Santa Cruz, Ctr Adapt Opt, Santa Cruz, CA 95064 USA. [Lu, Jessica] CALTECH, Dept Astron, Pasadena, CA 91125 USA. RP Ammons, SM (reprint author), Univ Arizona, Steward Observ, 933 Cherry Ave, Tucson, AZ 85721 USA. OI Morzinski, Katie/0000-0002-1384-0063 FU National Science Foundation (NSF) Science and Technology Center program through the Center for Adaptive Optics; University of California at Santa Cruz (UCSC) [AST#9876783] FX The authors wish to acknowledge considerable support for the laboratory additions by current and previous CfAO administrators and AO Summer School directors. These include Julian Christou, Michael Fitzgerald, Donald Gavel, Chris Le Maistre, Karen Pena, Scott Severson, Paula Towle, and Leslie Ward. This material is based upon work supported by: the National Science Foundation (NSF) Science and Technology Center program through the Center for Adaptive Optics, managed by the University of California at Santa Cruz (UCSC) under cooperative agreement AST#9876783; UCSC Institute for Scientist & Engineer Educators. NR 1 TC 0 Z9 0 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-752-0 J9 ASTR SOC P PY 2010 VL 436 BP 394 EP + PG 3 WC Astronomy & Astrophysics; Education, Scientific Disciplines SC Astronomy & Astrophysics; Education & Educational Research GA BUW98 UT WOS:000290548100033 ER PT J AU Jongmans, MCJ Kuiper, RP Carmichael, CL Wilkins, EJ Dors, N Carmagnac, A Schouten-van Meeteren, AYN Li, X Stankovic, M Kamping, E Bengtsson, H Schoenmakers, EFPM van Kessel, AG Hoogerbrugge, PM Hahn, CN Brons, PP Scott, HS Hoogerbrugge, N AF Jongmans, M. C. J. Kuiper, R. P. Carmichael, C. L. Wilkins, E. J. Dors, N. Carmagnac, A. Schouten-van Meeteren, A. Y. N. Li, X. Stankovic, M. Kamping, E. Bengtsson, H. Schoenmakers, E. F. P. M. van Kessel, A. Geurts Hoogerbrugge, P. M. Hahn, C. N. Brons, P. P. Scott, H. S. Hoogerbrugge, N. TI Novel RUNX1 mutations in familial platelet disorder with enhanced risk for acute myeloid leukemia: clues for improved identification of the FPD/AML syndrome SO LEUKEMIA LA English DT Letter ID ACUTE MYELOGENOUS LEUKEMIA; PROPENSITY C1 [Jongmans, M. C. J.; Kuiper, R. P.; Kamping, E.; Schoenmakers, E. F. P. M.; van Kessel, A. Geurts; Hoogerbrugge, N.] Radboud Univ Nijmegen, Med Ctr, Dept Human Genet, NL-6525 ED Nijmegen, Netherlands. [Carmichael, C. L.; Wilkins, E. J.; Carmagnac, A.; Scott, H. S.] Walter & Eliza Hall Inst Med Res WEHI, Dept Mol Med, Melbourne, Vic, Australia. [Carmichael, C. L.; Scott, H. S.] Univ Melbourne, Dept Med Biol, Fac Med Dent & Hlth Sci, Parkville, Vic 3052, Australia. [Dors, N.; Schouten-van Meeteren, A. Y. N.] Emma Childrens Hosp, Acad Med Ctr, Dept Pediat Oncol, Amsterdam, Netherlands. [Li, X.; Stankovic, M.; Hahn, C. N.; Scott, H. S.] Hanson Inst, Dept Mol Pathol, Ctr Canc Biol, Inst Med & Vet Sci, Adelaide, SA, Australia. [Li, X.; Stankovic, M.; Hahn, C. N.; Scott, H. S.] Univ Adelaide, Sch Med, Adelaide Canc Res Inst, Adelaide, SA 5005, Australia. [Bengtsson, H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Dept Stat, Berkeley, CA 94720 USA. [Hoogerbrugge, P. M.; Brons, P. P.] Radboud Univ Nijmegen, Med Ctr, Dept Pediat Hematooncol, NL-6525 ED Nijmegen, Netherlands. RP Jongmans, MCJ (reprint author), Radboud Univ Nijmegen, Med Ctr, Dept Human Genet, NL-6525 ED Nijmegen, Netherlands. EM m.jongmans@antrg.umcn.nl; Hamish.Scott@health.sa.gov.au RI Hahn, Christopher/C-1369-2009; Scott, Hamish/B-2122-2009; Geurts van Kessel, Ad/A-2810-2010; Hoogerbrugge, Nicoline/O-1016-2013; Kuiper, Roland/A-9646-2014; Hoogerbrugge, Peter/H-8049-2014; Brons, P.P.T./L-4231-2015 OI Hahn, Christopher/0000-0001-5105-2554; Scott, Hamish/0000-0002-5813-631X; NR 8 TC 25 Z9 26 U1 1 U2 4 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0887-6924 J9 LEUKEMIA JI Leukemia PD JAN PY 2010 VL 24 IS 1 BP 242 EP 246 DI 10.1038/leu.2009.210 PG 6 WC Oncology; Hematology SC Oncology; Hematology GA 543KW UT WOS:000273577100040 PM 19946261 ER PT S AU Tajima, T Barish, BC Barty, CP Bulanov, S Chen, PS Feldhaus, J Hajdu, J Keitel, CH Kieffer, JC Ko, DK Leemans, W Normand, D Palumbo, L Rzazewski, K Sergeev, A Sheng, ZM Takasaki, F Teshima, M AF Tajima, Toshiki Barish, Barry C. Barty, C. P. Bulanov, Sergei Chen, Pisin Feldhaus, Josef Hajdu, Janos Keitel, Christoph H. Kieffer, Jean-Claude Ko, Do-Kyeong Leemans, Wim Normand, Didier Palumbo, Luigi Rzazewski, Kazimierz Sergeev, Alexander Sheng, Zheng-Ming Takasaki, Fumihiko Teshima, Masahiro CA ELI Sci Advisory Comm BE Dumitras, D TI Science of Extreme Light Infrastructure SO LIGHT AT EXTREME INTENSITIES: OPPORTUNITIES AND TECHNOLOGICAL ISSUES OF THE EXTREME LIGHT INFRASTRUCTURE SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Conference on Light at Extreme Intensities (LEI 2009) CY OCT 16-21, 2009 CL Brasov, ROMANIA SP Int Consortium Extreme Light Infrastruct, Natl Inst Laser, Plasma & Radiat Phys, Inst Plasmas & Fusao Nucl, Natl Author Sci Res, Embassy France Romania, Transilvania Univ Brasov DE extreme fields; high field science; attosecond science; laser acceleration; photonuclear physics; vacuum physics ID X-RAY; ELECTRON-BEAMS; NUCLEAR-EXCITATION; ATTOSECOND PULSES; OVERDENSE PLASMA; PAIR PRODUCTION; LASER-PULSES; ACCELERATOR; GENERATION; HARMONICS AB The infrastructure of Extreme Light Infrastructure (ELI) provides an unprecedented opportunity for a broad range of frontier science. Its highest ever intensity of lasers, as well as high fluence, high power, and/or ultrafast optical characteristics carve out new territories of discovery, ranging from attosecond science to photonuclear science, laser acceleration and associated beams, and high field science (Four Pillars of ELI). Its applications span from medicine, biology, engineering, energy, chemistry, physics, and fundamental understanding of the Universe. The relativistic optics that intense lasers have begun exploring may be extended into a new regime of ultra-relativistic regime, where even protons fly relativistically in the optical fields. ELI provides the highest intensity to date such that photon fields begin to feel even the texture of vacuum. This is a singular appeal of ELI with its relatively modest infrastructure (compared to the contemporary largest scientific infrastructures), yet provides an exceptional avenue along which the 21(st) Century science and society need to answer the toughest questions. The intensity frontier simultaneously brings in the energy horizon (TeV and PeV) as well as temporal frontier (attoseconds and zeptoseconds). It also turns over optics of atoms and molecules into that of nuclei with the ability to produce monoenergetic collimated gamma-ray photons. As such, the ELI concept acutely demands an effort to encompass and integrate its Four Pillars. C1 [Tajima, Toshiki] Univ Munich, Fac Phys, D-8046 Garching, Germany. [Barish, Barry C.] Caltech, LIGO, Pasadena, CA 90001 USA. [Barty, C. P.] Photon Sci, Lawrence Livermore Natl Lab, Livermore, CA USA. [Bulanov, Sergei] JAEA, Adv Photon Res Ctr, Kyowa, Hokkaido, Japan. [Chen, Pisin] Natl Taiwan Univ, Ctr Cosmol & Particle Astrophys, Taipei, Taiwan. [Feldhaus, Josef] XFEL, DESY, Hamburg, Germany. [Hajdu, Janos] Uppsala Univ, Dept Biochem, Uppsala, Sweden. [Keitel, Christoph H.] Max Planck Inst Nucl Phys, Heidelberg, Germany. [Kieffer, Jean-Claude] Univ Quebec, INRS, Quebec City, PQ, Canada. [Ko, Do-Kyeong] Adv Photon Res Inst, Gwangju, North Korea. [Leemans, Wim] Lawrence Berkeley Natl Lab, Berkeley, CA 90001 USA. [Normand, Didier] CEA Grenoble, IRAMIS, F-38054 Grenoble, France. [Palumbo, Luigi] Univ Roma La Sapienza, Rome, Italy. [Rzazewski, Kazimierz] Polish Acad Sci, Ctr Theoret Phys, Warsaw, Poland. [Sergeev, Alexander] Inst Appl Phys, Nizhnii Novgorod, Russia. [Sheng, Zheng-Ming] Shandong Jiaotong Univ, Dept Phys, Shanghai, Peoples R China. [Takasaki, Fumihiko] KEK, Tsukuba, Ibaraki, Japan. [Teshima, Masahiro] Max Planck Inst Phys & Astrophys, Munich, Germany. RP Tajima, T (reprint author), Univ Munich, Fac Phys, D-8046 Garching, Germany. RI Rzazewski, Kazimierz/G-4854-2011; Sheng, Zheng-Ming/H-5371-2012; Sergeev, Alexander/F-3027-2017; OI Rzazewski, Kazimierz/0000-0002-6082-3565; Ko, Do-Kyeong/0000-0003-0358-186X NR 103 TC 1 Z9 1 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0771-8 J9 AIP CONF PROC PY 2010 VL 1228 BP 11 EP + DI 10.1063/1.3426041 PG 4 WC Physics, Fluids & Plasmas SC Physics GA BQA59 UT WOS:000280515500002 ER PT B AU Chen, ZH Qin, Y Amine, K AF Chen, Zonghai Qin, Yan Amine, Khalil BE Dahlin, GR Strom, KE TI CHEMICAL OVERCHARGE PROTECTION OF LITHIUM-ION CELLS SO LITHIUM BATTERIES: RESEARCH,TECHNOLOGY AND APPLICATIONS SE Electrical Engineering Developments LA English DT Article; Book Chapter ID REDOX SHUTTLE ADDITIVES; OVERDISCHARGE PROTECTION; ELECTROACTIVE POLYMERS; ANODIC-OXIDATION; HIGH-VOLTAGE; BATTERIES; ELECTROLYTE; BROMIDE AB Overcharge protection is not only critical for preventing the thermal runaway of lithium-ion batteries, but also important for automatic capacity balancing This chapter compares three overcharge protection strategies external circuit protection, inactivation agents, and redox shuttles to highlight the advantage of redox shuttles for overcharge protection Then the redox shuttle history and mechanism are introduced and the latest advances on redox shuttles are described Fundamental studies for designing stable redox shuttles for use in lithium-ion batteries are also discussed C1 [Chen, Zonghai; Qin, Yan; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Chen, ZH (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 47 TC 1 Z9 1 U1 0 U2 0 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60741-722-4 J9 ELECTR ENG DEV PY 2010 BP 119 EP 146 PG 28 WC Electrochemistry; Energy & Fuels; Engineering, Electrical & Electronic SC Electrochemistry; Energy & Fuels; Engineering GA BSD74 UT WOS:000284235900004 ER PT B AU Nelson, P Amine, K AF Nelson, Paul Amine, Khalil BE Dahlin, GR Strom, KE TI ADVANCED LITHIUM-ION BATTERIES FOR PLUG-IN HYBRID-ELECTRIC VEHICLES SO LITHIUM BATTERIES: RESEARCH,TECHNOLOGY AND APPLICATIONS SE Electrical Engineering Developments LA English DT Article; Book Chapter DE vehicle simulation; lithium-ion batteries; series-engine hybrid ID HIGH-POWER APPLICATIONS; SECONDARY BATTERIES; CATHODE MATERIALS; CELLS; FADE AB In this study, electric-drive vehicles with series powertrains were configured to utilize a lithium- ion battery of very high power and achieve sport-sedan performance and excellent fuel economy The battery electrode materials are LiMn2O4 and (Li4Ti5O12), which provide a cell area-specific impedance of about 40% of that of the commonly available lithium-ion batteries Data provided by EnerDel Corp for this system demonstrate this low impedance and also a long cycle life at 55 degrees C The batteries for these vehicles were designed to deliver 100 kW of power at 90% open- circuit voltage to provide high battery efficiency (97-98%) during vehicle operation This results in battery heating of only 1 6 degrees C per hour of travel on the urban dynamometer driving schedule (UDDS) cycle, which essentially eliminates the need for battery cooling Three vehicles were designed, each with series powertrains and simulation test weights between 1575 and 1633 kg a hybrid electric vehicle (HEV) with a 45-kg battery, a plug-in HEV with a 10-mile electric range (PHEV10) with a 60-kg battery, and a PHEV20 with a 100-kg battery Vehicle simulation tests on the Argonne National Laboratory's simulation software, the Powertrain System Analysis Toolkit (PSAT), which was developed with MATLAB/Simulink, showed that these vehicles could accelerate to 60 mph in 6 2 to 6 3 seconds and achieve fuel economies of 50 to 54 mpg on the UDDS and highway fuel economy test (HWFET) cycles This type of vehicle shows promise of having a moderate cost if it is mass produced, because there is no transmission, the engine and generator may be less expensive since they are designed to operate at only one speed, and the battery electrode materials are inexpensive C1 [Nelson, Paul; Amine, Khalil] EnerDel Corp, Argonne Natl Lab, Hiroyuki Yomoto, Aymer Rousseau, Argonne, IL 60439 USA. RP Nelson, P (reprint author), EnerDel Corp, Argonne Natl Lab, Hiroyuki Yomoto, Aymer Rousseau, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 17 TC 1 Z9 1 U1 2 U2 3 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60741-722-4 J9 ELECTR ENG DEV PY 2010 BP 203 EP 221 PG 19 WC Electrochemistry; Energy & Fuels; Engineering, Electrical & Electronic SC Electrochemistry; Energy & Fuels; Engineering GA BSD74 UT WOS:000284235900008 ER PT J AU Shukla, N Nigra, MM AF Shukla, Nisha Nigra, Michael M. TI Synthesis of CdSe quantum dots with luminescence in the violet region of the solar spectrum SO LUMINESCENCE LA English DT Article DE synthesis CdSe; quantum dots, luminescence ID CORE-SHELL NANOCRYSTALS; NANOPARTICLES; CDO AB We have designed a simple, one-step synthesis of CdSe quantum dots with photoluminescence frequencies ranging from the red through to the violet region of the solar spectrum. The photoluminescence peaks have FWHM of 30 nm indicating absorption over a narrow range of wavelengths. The effect of solvent type and solvent boiling point on the physical and photoluminescence properties of the quantum dots has been studied. High boiling point, non-polar solvents shift the photoluminescence peak to longer wavelengths and low boiling point, polar solvents shift the photoluminescence peak to shorter wavelengths. Copyright (C) 2009 John Wiley & Sons, Ltd. C1 [Shukla, Nisha] Carnegie Mellon Univ, Inst Complex Engineered Syst, Pittsburgh, PA 15213 USA. [Nigra, Michael M.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Shukla, Nisha] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Shukla, N (reprint author), Carnegie Mellon Univ, Inst Complex Engineered Syst, Pittsburgh, PA 15213 USA. NR 17 TC 6 Z9 6 U1 1 U2 8 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1522-7235 J9 LUMINESCENCE JI Luminescence PD JAN-FEB PY 2010 VL 25 IS 1 BP 14 EP 18 DI 10.1002/bio.1134 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 584EA UT WOS:000276732100003 PM 19480004 ER PT B AU Khalil, AF Kaheil, YH Gill, KM McKee, M AF Khalil, Abedalrazq F. Kaheil, Yasir H. Gill, Kashif M. McKee, Mac BE Peters, H Vogel, M TI APPLICATION OF LEARNING MACHINES AND COMBINATORIAL ALGORITHMS IN WATER RESOURCES MANAGEMENT AND HYDROLOGIC SCIENCES SO MACHINE LEARNING RESEARCH PROGRESS LA English DT Article; Book Chapter ID ARTIFICIAL NEURAL-NETWORK; RELEVANCE VECTOR MACHINE; HIDDEN MARKOV MODEL; PARAMETER-ESTIMATION; WAVELET TRANSFORMS; GENETIC ALGORITHM; SOIL-MOISTURE; PRECIPITATION; DECOMPOSITION; SCALE AB Contemporary and water resources engineering and management rely increasingly on pattern recognition techniques that have the ability to capitalize on the unrelenting accumulation of data that is made possible by modern information technology and remote sensing methods. In response to the growing information needs of modern water systems, advanced computational models and tools have been devised to identify and extract relevant information from the mass of data that is now available. This chapter presents innovative applications from computational learning science within the fields of hydrology, hydrogeology, hydroclimatology, and water management. The success of machine learning is evident from the growing number of studies involving the application of Artificial Neural Networks (ANN), Support Vector Machines (SVM), Relevance Vector Machines (RVM), and Locally Weighted Projection Regression (LWPR) to address various issues in hydrologic sciences. The applications that will be discussed within the chapter employ the machine learning techniques mentioned above for intelligent modeling of reservoir operations, temporal downscaling of precipitation, spatial downscaling of soil moisture and evapotranspiration, comparisons of various techniques for groundwater quality modeling, and forecasting of chaotic time series behavior. Combinatorial algorithms to capture the intrinsic complexities in the modeled phenomena and to overcome disparate scales are developed; for example, learning machines have been coupled with geostatistical techniques, non-homogenous hidden Markov models, wavelets, and evolutionary computing techniques. This chapter does not intend to be exhaustive; it reviews the progress that has been made over the past decade in the use of learning machines in applied hydrologic sciences and presents a summary of future needs and challenges for further advancement of these methods. C1 [Khalil, Abedalrazq F.; McKee, Mac] Utah State Univ, Utah Water Res Lab, Logan, UT 84322 USA. [Gill, Kashif M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kaheil, Yasir H.] Univ Western Ontario, London, ON N6A 5B7, Canada. RP Khalil, AF (reprint author), Utah State Univ, Utah Water Res Lab, 8200 Old Main Hill, Logan, UT 84322 USA. EM Abedalrazq.Khalil@gmail.com NR 73 TC 0 Z9 0 U1 0 U2 1 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60456-646-8 PY 2010 BP 61 EP 106 PG 46 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BPE16 UT WOS:000278665800004 ER PT B AU Oehmen, CS Webb-Robertson, BJM AF Oehmen, Christopher S. Webb-Robertson, Bobbie-Jo M. BE Peters, H Vogel, M TI EVALUATING THE COMPUTATIONAL REQUIREMENTS OF USING SVM SOFTWARE TO TRAIN DATA-INTENSIVE PROBLEMS SO MACHINE LEARNING RESEARCH PROGRESS LA English DT Article; Book Chapter ID SUPPORT VECTOR MACHINES; LEARNING BAYESIAN NETWORKS; DISCRIMINANT-ANALYSIS; CLASSIFICATION TREES; QUADRATIC PROGRAMS; MASS-SPECTROMETRY; DATA SETS; SELECTION; INFORMATION; ALGORITHM AB Support vector machine (SVM) technology is a growing class of computational algorithms for solving classification problems using supervised learning. There are many freely available SVM codes with implementations of varying granularity in the core optimization task. The performance of SVM implementations is related to four key elements: (I) the size and dimension of the data set on which they are operating, (2) the granularity of their core SVM optimization implementation, (3) the kernel transformation applied to the data and (4) the underlying hardware on which the implementation is running. To assess the performance of different SVM implementations, several freely available codes representing the spectrum of optimization granularity were built on a variety of hardware-two linux clusters and a shared memory machine. Binary classifiers were trained on datasets of varying size containing anywhere from a few hundred to more than 50,000 vectors. Performance of the methods was measured in terms of wall-clock time for training, statistical quality of the resulting classifier, hardware performance (memory footprint, memory bandwidth, floating point unit usage, I/O bandwidth and instruction stalls), robustness and portability. C1 [Oehmen, Christopher S.; Webb-Robertson, Bobbie-Jo M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Oehmen, CS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 67 TC 0 Z9 0 U1 0 U2 0 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60456-646-8 PY 2010 BP 299 EP 322 PG 24 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BPE16 UT WOS:000278665800010 ER PT S AU Rohatgi, A Herling, D Nyberg, E AF Rohatgi, Aashish Herling, Darrell Nyberg, Eric BE Agnew, SR Neelameggham, NR Nyberg, EA Sillekens, WH TI CHARACTERIZATION OF CONTINUOUS-CAST AZ31B MAGNESIUM ALLOY SHEETS AND LUBRICANTS FOR WARM-FORMING - FRICTION EFFECTS SO MAGNESIUM TECHNOLOGY 2010 SE Magnesium Technology Series LA English DT Proceedings Paper CT Magnesium Technology Symposium 2010 CY FEB 14-18, 2010 CL Seattle, WA DE Magnesium; lubricants; coefficient of friction; formability ID DEFORMATION AB The goal of this research is to understand the inter-relationship between the initial properties of continuous-cast magnesium alloy (AZ31B) sheets and their subsequent formability and post-formed mechanical performance for use in cost-effective, lightweight, automotive body panels. The results presented here focus on the friction behavior of AZ31B sheets and lubricants under elevated temperature conditions expected during warm-forming. Asreceived AZ31B sheets, from several vendors, were characterized by surface roughness measurements using mechanical profilometry and their arithmetic mean deviation of profile (R(a)) and the maximum two-point height of profile (R(y)) ranged from similar to 0.2-2 mu m and similar to 2-15 mu m, respectively. Five commercial lubricants were evaluated by thermal analysis and the liquid phase of the lubricants was found to evaporate/decompose, leaving behind a solid residue, upon heating to temperatures exceeding similar to 125-160 degrees C. Bending-under-tension (BUT) friction tests were conducted at 350 degrees C and the coefficient-of-friction (COF) values ranged from similar to 0.1 (for tungsten disulfide lubricant) to similar to 0.7 (no lubricant). The COF for a given lubricant-sheet pair was found to be independent of the sheet's vendor suggesting that the solid lubricant residue, rather than the sheet's roughness, is controlling the frictional behavior under the test conditions employed. C1 [Rohatgi, Aashish; Herling, Darrell; Nyberg, Eric] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Rohatgi, A (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. NR 11 TC 1 Z9 1 U1 0 U2 1 PU MINERALS, METALS & MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086-7514 USA SN 1545-4150 BN 978-0-87339-746-9 J9 MAGNESIUM TECHNOLOGY PY 2010 BP 573 EP 578 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BQO35 UT WOS:000281445500098 ER PT B AU Ferguson, RM Khandhar, AP Minard, KR Krishnan, KM AF Ferguson, R. Matthew Khandhar, Amit P. Minard, Kevin R. Krishnan, Kannan M. BE Buzug, TM Borgert, J Knopp, T Biederer, S Sattel, TF Erbe, M LudtkeBuzug, K TI SIZE-OPTIMIZED MAGNETITE NANOPARTICLES FOR MAGNETIC PARTICLE IMAGING SO MAGNETIC NANOPARTICLES: PARTICLE SCIENCE, IMAGING TECHNOLOGY, AND CLINICAL APPLICATIONS LA English DT Proceedings Paper CT 1st International Workshop on Magnetic Particle Imaging CY MAR 18-19, 2010 CL Univ Lubeck, Inst Med Engn, Lubeck, GERMANY SP Philips Hlth Care, Bruker BioSpin, Bayer Schering, Lanxess, Olympus HO Univ Lubeck, Inst Med Engn ID OXIDE NANOCRYSTALS; SHAPE AB We present experimental results to demonstrate that there is an optimum size for magnetite nanoparticles that are used to generate MPI signal, where the signal is detected as the third harmonic of nanoparticle magnetization, M, for any driving field frequency, v. Our experimental results, for an arbitrarily chosen v = 250 kHz, agree with predictions for a nanoparticle magnetization model based on the Langevin theory of superparamagnetism. C1 [Ferguson, R. Matthew; Khandhar, Amit P.; Krishnan, Kannan M.] Univ Washington, Dept Mat Sci & Engn, Box 352120, Seattle, WA 98195 USA. [Minard, Kevin R.] Pacific Northwest Natl Labs, Biol Monitoring & Modeling, Richland, WA 99352 USA. RP Ferguson, RM (reprint author), Univ Washington, Dept Mat Sci & Engn, Box 352120, Seattle, WA 98195 USA. EM kevin.minard@pnl.gov; kannanmk@u.washington.edu FU NIH NHLBI [RO1 HL073598]; NIBIB [R21 EB008192]; University of Washington Center for Nanotechnology (CNT) FX This work was supported by NIH NHLBI RO1 HL073598, NIBIB R21 EB008192, and partial support for RMF from the University of Washington Center for Nanotechnology (CNT). NR 16 TC 0 Z9 0 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-4324-67-0 PY 2010 BP 53 EP 59 PG 7 WC Nanoscience & Nanotechnology SC Science & Technology - Other Topics GA BH0BP UT WOS:000394555600007 ER PT S AU van der Laan, G Moore, KT AF van der Laan, G. Moore, K. T. BE Beaurepaire, E Bulou, H Scheurer, F Kappler, JP TI Magnetic Structure of Actinide Metals SO MAGNETISM AND SYNCHROTRON RADIATION: NEW TRENDS SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 5th School on Magnetism and Synchrotron Radiation CY OCT 19-24, 2008 CL Mittelwihr, FRANCE SP Format Permanente CNRS, European Commun, Univ Haute-Alsace, Univ Louis Pasteur, Inst Phys Chim Materiaux Strasbourg, Conseil Gen Haut Rhin, Region Alsace ID X-RAY-ABSORPTION; SWITCHABLE OPTICAL-PROPERTIES; GROUND-STATE PROPERTIES; ELECTRON-ENERGY-LOSS; PHOTOELECTRON-SPECTROSCOPY; CIRCULAR-DICHROISM; SPIN FLUCTUATIONS; VOLUME COLLAPSE; BRANCHING RATIO; KONDO-LATTICE AB In comparison to 3d or 4f metals, magnetism in actinides remains poorly understood due to experimental complications and the exotic behavior of the 5f states. In particular, plutonium metal is most especially vexing. Over the last five decades, theories proposed the presence of either ordered or disordered local moments at low temperatures. However, experiments such as magnetic susceptibility, electrical resistivity, nuclear magnetic resonance, specific heat, and elastic and inelastic neutron scattering show no evidence for ordered or disordered magnetic moments in any of the six phases of plutonium. Beyond plutonium, the magnetic structure of other actinides is an active area of research, given that temperature, pressure, and chemistry can quickly alter the magnetic structure of the 5f states. For instance, curium metal has an exceedingly large spin polarization that results in a total moment of similar to 8 mu(B)/atom, which influences the phase stability of the metal. Insight in the actinide ground state can be obtained from core-level X-ray absorption spectroscopy (XAS) and electron energy-loss spectroscopy (EELS). A sum rule relates the branching ratio of the core-level spectra measured by XAS or EELS to the expectation value of the angular part of the spin orbit interaction. C1 [van der Laan, G.] Diamond Light Source, Didcot OX11 0DE, Oxon, England. [Moore, K. T.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. RP van der Laan, G (reprint author), Diamond Light Source, Didcot OX11 0DE, Oxon, England. EM gerrit.vanderlaan@diamond.ac.uk RI van der Laan, Gerrit/Q-1662-2015; Bulou, Herve/I-1495-2016 OI van der Laan, Gerrit/0000-0001-6852-2495; Bulou, Herve/0000-0002-3365-6394 NR 87 TC 3 Z9 3 U1 0 U2 8 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-642-04497-7 J9 SPRINGER PROC PHYS PY 2010 VL 133 BP 313 EP 344 DI 10.1007/978-3-642-04498-4_11 PG 32 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA BRV83 UT WOS:000283760100011 ER PT J AU Page, G Felix, AM Dickie, DA Chen, LF Kemp, RA AF Page, Giang Felix, Ana M. Dickie, Diane A. Chen, Linfeng Kemp, Richard A. TI Yellow and blue make green: The importance of stoichiometry in the reaction of 1,4-bis(2,6-diisopropylphenyl)-1,4-diazabutadiene with dimethylgallium chloride SO MAIN GROUP CHEMISTRY LA English DT Article DE Gallium; aluminum; diazabutadiene; multichromic; NMR; X-ray crystallography ID POLYMERIZATION CATALYSTS; OLEFIN POLYMERIZATION; METALLOCENES; COORDINATION; COMPLEXES; ALUMINUM; LIGANDS AB An unprecedented class of multichromic single crystals has been investigated after their initial discovery almost 15 years ago in industry. Single crystals have been prepared that are crystallographically identical, yet may be grown colorless, yellow, or green from crystal to crystal, or surprisingly, multicolored within the same crystal at all viewing angles, where one would expect that only a single color would exist. The system examined consisted of Me(2)GaCl complexed with 1,4-bis(2,6-diisopropylphenyl)-1,4-diazabutadiene in varying ratios. The work described is primarily geared towards understanding the factors leading to the multichromic nature of the complexes. Our results indicate that the most plausible explanation for the yellow/green mixed crystals is that the yellow crystals are contaminated with small amounts of an intensely-colored blue byproduct. In crystal regions where both the yellow and blue compounds are found, the crystals appear dark green. Identification of the blue byproduct was confirmed by X-ray diffraction. C1 [Page, Giang; Felix, Ana M.; Dickie, Diane A.; Kemp, Richard A.] Univ New Mexico, Dept Chem & Biol Chem, Albuquerque, NM 87131 USA. [Chen, Linfeng] Dow Chem Co USA, Westhollow Res Lab, Houston, TX USA. [Kemp, Richard A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. RP Kemp, RA (reprint author), Univ New Mexico, Dept Chem & Biol Chem, Albuquerque, NM 87131 USA. EM rakemp@unm.edu RI Dickie, Diane/B-1647-2010 OI Dickie, Diane/0000-0003-0939-3309 FU Union Carbide Corporation; NSF [CHE-0213165, CHE-0911110, CHE-0443580]; Sandia National Laboratories LDRD [99406]; Natural Sciences and Engineering Research Council of Canada; University of New Mexico; United States Department of Energy [DE-AC04-94AL85000] FX This work was initially supported by Union Carbide Corporation, and later by NSF (CHE-0213165 and CHE-0911110), the Sandia National Laboratories LDRD program (99406), and the Natural Sciences and Engineering Research Council of Canada (post-doctoral fellowship to D. Dickie). G. Page was also the recipient of a Whaley Fellowship at the University of New Mexico. The Bruker X8 X-ray diffractometer was purchased via an NSF CRIF:MU award to the University of New Mexico (CHE-0443580). Ms. Marie Parkes and Professor Wei Wang of the University of New Mexico provided helpful discussions on the mechanism of formation of 2. Professor Arnie Rheingold of the University of California, San Diego, and Dr. Eileen Duesler of the University of New Mexico assisted with the collection of X-ray data. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94AL85000. NR 23 TC 1 Z9 1 U1 1 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1024-1221 J9 MAIN GROUP CHEM JI Main Group Chem. PY 2010 VL 9 IS 1-2 BP 11 EP 21 DI 10.3233/MGC-2010-0012 PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 735RJ UT WOS:000288434400004 ER PT J AU Davis, BL Sutton, AD Gordon, JC Schwarz, DE Scott, BL Thorn, DL AF Davis, Benjamin L. Sutton, Andrew D. Gordon, John C. Schwarz, Daniel E. Scott, Brian L. Thorn, David L. TI Formation of benzodiazaborolanes from borazine SO MAIN GROUP CHEMISTRY LA English DT Article DE Ammonia borane; borazine; aryldiamine ID AMMONIA-BORANE; REGENERATION AB Phenylenediamines are shown to form benzodiazaborolanes upon reaction with borazine, essentially extracting the B-H bonds. This surrogate for partially dehydrogenated ammonia borane provides useful insight into potential regeneration strategies for ammonia borane spent fuel. C1 [Sutton, Andrew D.; Gordon, John C.; Schwarz, Daniel E.; Thorn, David L.] Los Alamos Natl Lab, C IIAC, Los Alamos, NM 87545 USA. [Davis, Benjamin L.; Scott, Brian L.] Los Alamos Natl Lab, MPA MC, Los Alamos, NM USA. RP Sutton, AD (reprint author), Los Alamos Natl Lab, C IIAC, Los Alamos, NM 87545 USA. EM adsutton@lanl.gov RI Sutton, Andrew/D-1047-2015; Davis, Benjamin /I-7897-2015; Scott, Brian/D-8995-2017; OI Sutton, Andrew/0000-0001-7984-1715; Scott, Brian/0000-0003-0468-5396; Davis, Benjamin/0000-0001-5439-0751 FU Department of Energy's Office of Energy Efficiency and Renewable Energy through the Chemical Hydrogen Storage Center of Excellence FX The authors thank J. Webb for the initial preparation of 1 in our laboratory. We thank the Department of Energy's Office of Energy Efficiency and Renewable Energy for support through the Chemical Hydrogen Storage Center of Excellence. NR 12 TC 1 Z9 1 U1 0 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1024-1221 J9 MAIN GROUP CHEM JI Main Group Chem. PY 2010 VL 9 IS 1-2 BP 135 EP 139 DI 10.3233/MGC-2010-0010 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 735RJ UT WOS:000288434400015 ER PT J AU Groenewold, GS AF Groenewold, Gary S. TI Degradation kinetics of VX SO MAIN GROUP CHEMISTRY LA English DT Article; Proceedings Paper CT Symposium on Sensing and Destroying Chemical Weapons and Pesticides CY AUG 18-19, 2009 CL Washington, DC SP Amer Chem Soc, Army Res Ofc, Defense Threat Reduct Agcy, Edgewood Chem & Biolog Ctr ID CHEMICAL WARFARE AGENTS; O-ETHYL METHYLPHOSPHONOTHIOATE; ION MASS-SPECTROMETRY; NERVE AGENT; ORGANOPHOSPHORUS HYDROLASE; ENZYMATIC-HYDROLYSIS; CONTAINING PRODUCTS; NANOSIZE AL2O3; SKULL-VALLEY; HD AB O-ethyl S-(2-diisopropylaminoethyl)phosphonothiolate (VX) is among the most toxic of chemical warfare agents. VX is an oily liquid that is relatively involatile and is slow to hydrolyze, and thus may persist for weeks or longer in the environment, creating long term contamination of the territory. Concern over prolonged risk from VX exposure is exacerbated because it poses a dermal contact hazard-lethal dose on bare skin is about 10 mg/70 kg and it is readily absorbed through the skin. Therefore, a detailed understanding of its volatilization behavior and degradation pathways and rates is necessary. Volatilization has not been considered to be an important depletion mechanism, however, recent studies have shown a significant fraction of VX may volatilize. VX degradation reactions and their rates have been difficult to measure in many environmental media. For this reason, VX persistence has generally been described in terms of half lives. In this review, rates of VX degradation are compared on the basis of pseudo-first order rate constants in order to provide a basis for assessing VX persistence in a given environment. An issue of concern is that one VX degradation pathway produces S-2-(diisopropylaminoethyl) methylphosphonothioic acid (known as EA2192), a degradation product that is almost as toxic as VX. Consequently degradation pathways and rates for EA2192 are also discussed. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Groenewold, GS (reprint author), Idaho Natl Lab, 2151 N Blvd, Idaho Falls, ID 83415 USA. EM gary.groenewold@inl.gov NR 72 TC 6 Z9 6 U1 0 U2 19 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1024-1221 J9 MAIN GROUP CHEM JI Main Group Chem. PY 2010 VL 9 IS 3-4 SI SI BP 221 EP 244 DI 10.3233/MGC-2010-0037 PG 24 WC Chemistry, Multidisciplinary SC Chemistry GA 717OK UT WOS:000287057100003 ER PT B AU Garzoglio, G Wang, N Sfiligoi, I Levshina, T Ananthan, B AF Garzoglio, Gabriele Wang, Nanbor Sfiligoi, Igor Levshina, Tanya Ananthan, Balamurali BE Lin, SC Yen, E TI SVOPME: A Scalable Virtual Organization Privileges Management Environment SO MANAGED GRIDS AND CLOUD SYSTEMS IN THE ASIA-PACIFIC RESEARCH COMMUNITY LA English DT Proceedings Paper CT International Symposium on Grid Computing (ISGC 2009) CY APR 21-23, 2009 CL Acad Sinica, Taipei, TAIWAN HO Acad Sinica AB Grids enable uniform access to resources by implementing standard interfaces to resource gateways. In the Open Science Grid (OSG), privileges are granted on the basis of the user's membership to a Virtual Organization (VO). However, Grid sites are solely responsible to determine and control access privileges to resources using users' identity and personal attributes, which are available through Grid credentials. While this guarantees full control on access rights to the sites, it makes VO privileges heterogeneous throughout the Grid and hardly fits with the Grid paradigm of uniform access to resources. To address these challenges, we are developing the Scalable Virtual Organization Privileges Management Environment (SVOPME), which provides tools for VOs to define, publish, and verify desired privileges and assists sites to provide the appropriate access policies. Moreover, SVOPME provides tools for grid site to analyze site access policies for various resources, verify compliance with preferred VO policies, and generate directives for site administrators on how the local access policies can be amended to achieve such compliance without taking control of local configurations away from site administrators. This paper discusses what access policies are of interest to the OSG community and how SVOPME implements privilege management tools for the OSG. C1 [Garzoglio, Gabriele; Sfiligoi, Igor; Levshina, Tanya] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Wang, Nanbor; Ananthan, Balamurali] Tech X Corp, Ewing, NJ USA. RP Garzoglio, G (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 12 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4419-6468-7 PY 2010 BP 203 EP 216 DI 10.1007/978-1-4419-6469-4_15 PG 14 GA BH0IR UT WOS:000395208200015 ER PT B AU Petzold, CJ Keasling, JD AF Petzold, Christopher J. Keasling, Jay D. BE Baltz, RH Davies, JE Demain, AL TI Metabolic Engineering of Escherichia coli for the Production of a Precursor to Artemisinin, an Antimalarial Drug SO MANUAL OF INDUSTRIAL MICROBIOLOGY AND BIOTECHNOLOGY, THIRD EDITION LA English DT Article; Book Chapter ID HIGH-LEVEL PRODUCTION; ISOPRENOID PRODUCTION; QUANTITATIVE-ANALYSIS; DIRECTED EVOLUTION; MEVALONATE PATHWAY; AMORPHA-4,11-DIENE SYNTHASE; CAROTENOID PRODUCTION; SECONDARY STRUCTURE; PROTEIN EXPRESSION; PHOSPHATE-PATHWAY C1 [Petzold, Christopher J.; Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, JBEI, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Berkeley Ctr Synthet Biol SynBERC, Dept Bioengn, Dept Chem Engn, Berkeley, CA 94720 USA. RP Petzold, CJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, JBEI, Berkeley, CA 94720 USA. NR 96 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N STREET NW, WASHINGTON, DC 20036-2904 USA BN 978-1-55581-512-7 PY 2010 BP 364 EP 379 PG 16 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA BOC33 UT WOS:000276164600029 ER PT B AU Abulencia, CB Wells, SM Gray, KA Keller, M Kreps, JA AF Abulencia, Carl B. Wells, Steven M. Gray, Kevin A. Keller, Martin Kreps, Joel A. BE Baltz, RH Davies, JE Demain, AL TI Accessing Microbial Communities Relevant to Biofuels Production SO MANUAL OF INDUSTRIAL MICROBIOLOGY AND BIOTECHNOLOGY, THIRD EDITION LA English DT Article; Book Chapter ID IN-SITU HYBRIDIZATION; FLOW-CYTOMETRY; SOIL BACTERIA; PURE-CULTURE; ENVIRONMENTAL DNA; CELL SORTER; IDENTIFICATION; METAGENOMICS; CULTIVATION; MICROORGANISMS C1 [Abulencia, Carl B.; Wells, Steven M.; Gray, Kevin A.; Kreps, Joel A.] Verenium Corp, San Diego, CA 92121 USA. [Keller, Martin] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Abulencia, CB (reprint author), Verenium Corp, 4955 Directors Pl, San Diego, CA 92121 USA. NR 81 TC 1 Z9 1 U1 0 U2 4 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N STREET NW, WASHINGTON, DC 20036-2904 USA BN 978-1-55581-512-7 PY 2010 BP 565 EP 576 PG 12 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA BOC33 UT WOS:000276164600045 ER PT B AU Mielenz, JR Hogsett, DA AF Mielenz, Jonathan R. Hogsett, David A. BE Baltz, RH Davies, JE Demain, AL TI Improving Microbial Robustness Using Systems Biology SO MANUAL OF INDUSTRIAL MICROBIOLOGY AND BIOTECHNOLOGY, THIRD EDITION LA English DT Article; Book Chapter ID CAMPESTRIS PV. CAMPESTRIS; SACCHAROMYCES-CEREVISIAE STRAINS; ETHANOLOGENIC ESCHERICHIA-COLI; GENE-EXPRESSION PROFILES; STRUCTURED KINETIC-MODEL; XANTHOMONAS-CAMPESTRIS; CORYNEBACTERIUM-GLUTAMICUM; XANTHAN GUM; WINE YEAST; DEGRADATION-PRODUCTS C1 [Mielenz, Jonathan R.] Oak Ridge Natl Lab, Bioenergy Sci Ctr, Biosci Div, Oak Ridge, TN 37831 USA. [Hogsett, David A.] Mascoma Corp, Lebanon, NH 03655 USA. RP Mielenz, JR (reprint author), Oak Ridge Natl Lab, Bioenergy Sci Ctr, Biosci Div, Oak Ridge, TN 37831 USA. NR 143 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N STREET NW, WASHINGTON, DC 20036-2904 USA BN 978-1-55581-512-7 PY 2010 BP 605 EP 620 PG 16 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA BOC33 UT WOS:000276164600048 ER PT S AU Kertesz, V Van Berke, GJ AF Kertesz, Vilmos Van Berke, Gary J. BE Rubakhin, SS Sweedler, JV TI Chemical Imaging with Desorption Electrospray Ionization Mass Spectrometry SO MASS SPECTROMETRY IMAGING: PRINCIPLES AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Mass spectrometry imaging; desorption electrospray ionization; whole body; tissue section; propranolol ID AMBIENT CONDITIONS; DESI; ANALYTES AB Desorption electrospray ionization mass spectrometry (DESI-MS) is a relatively new ambient surface analysis method. This technique requires little or no sample preparation prior to the actual analysis. Along with other application areas, DESI-MS is used to obtain chemical images of different biomolecules in biological tissue sections. In the case of biological tissue analysis, only preparation of the tissue slices is necessary. Furthermore, the method does not require the use of an ionization matrix preventing the redistribution of analytes prior to the analysis. Chemical images are obtained by monitoring the mass spectrometric signals of compounds while moving the sample relative to the DESI sprayer. C1 [Kertesz, Vilmos; Van Berke, Gary J.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. RP Kertesz, V (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. RI Kertesz, Vilmos/M-8357-2016 OI Kertesz, Vilmos/0000-0003-0186-5797 NR 15 TC 6 Z9 6 U1 0 U2 0 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-745-7 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2010 VL 656 BP 231 EP 241 DI 10.1007/978-1-60761-746-4_13 D2 10.1007/978-1-60761-746-4 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BQJ72 UT WOS:000281188000013 PM 20680594 ER PT S AU Berman, ESF Fortson, SL Kulp, KS AF Berman, Elena S. F. Fortson, Susan L. Kulp, Kristen S. BE Rubakhin, SS Sweedler, JV TI Preparation of Single Cells for Imaging Mass Spectrometry SO MASS SPECTROMETRY IMAGING: PRINCIPLES AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE ToF-SIMS; imaging mass spectrometry; single cells; molecular profiling; biological imaging ID TOF-SIMS; MALDI-MS; SUBCELLULAR-LOCALIZATION; SMALL MOLECULES; TISSUES; MICROSCOPY; CHOLESTEROL; CULTURES; PROGRESS; PEPTIDE AB Characterizing the molecular contents of individual cells is critical for understanding fundamental mechanisms of biological processes. Imaging mass spectrometry (IMS) of biological systems has been steadily gaining popularity for its ability to create precise chemical images of biological samples, thereby revealing new biological insights and improving understanding of disease. In order to acquire mass spectral images from single cells that contain relevant molecular information, samples must be prepared such that cell-culture components, especially salts, arc eliminated from the cell surface and that the cell contents are accessible to the mass spectrometer. We have demonstrated a cellular preparation technique for IMS that preserves the basic morphology of cultured cells, allows mass spectrometric chemical profiling of cytosol, and removes the majority of the interfering species derived from the cellular growth medium. Using this protocol, we achieve high-quality, reproducible IMS images from three diverse cell types: MCF7 human breast cancer cells, Madin-Darby canine kidney (MDCK) cells, and NIH/3T3 mouse fibroblasts. This preparation method allows rapid and routine IMS analysis of cultured cells, making possible a wide variety of experiments to further scientific understanding of molecular processes within individual cells. C1 [Berman, Elena S. F.; Fortson, Susan L.] Los Gatos Res, Mountain View, CA USA. [Kulp, Kristen S.] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA USA. RP Berman, ESF (reprint author), Los Gatos Res, Mountain View, CA USA. NR 30 TC 1 Z9 1 U1 1 U2 6 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-745-7 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2010 VL 656 BP 253 EP 265 DI 10.1007/978-1-60761-746-4_15 D2 10.1007/978-1-60761-746-4 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BQJ72 UT WOS:000281188000015 PM 20680596 ER PT S AU Wu, LG Felton, JS Wu, KJJ AF Wu, Ligang Felton, James S. Wu, Kuang Jen J. BE Rubakhin, SS Sweedler, JV TI Applying Imaging ToF-SIMS and PCA in Differentiation of Tissue Types SO MASS SPECTROMETRY IMAGING: PRINCIPLES AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE ToF-SIMS; imaging mass spectrometry; mouse embryo; PCA; image PCA; FFPE ID ION MASS-SPECTROMETRY; BISMUTH CLUSTER ION; BIOLOGICAL-MATERIAL; CHOLESTEROL; GALACTOSYLCERAMIDE; INSTRUMENTATION; PHOSPHOCHOLINE; LOCALIZATION; CANCER; LIPIDS AB Time-of-flight secondary ion mass spectrometry (ToF-SIMS) has proven to be an extremely powerful tool for characterizing chemical distributions within biological cells and tissues. However, differentiating biological samples, e.g., cancerous cells from their normal counterparts or benign tissues from malignant tissues, presents unique challenges to ToF-SIMS. Repeatable differentiation of such samples, especially formalin-fixed paraffin-embedded (FFPE) histological specimens, could be used to improve tissue-based diagnosis and aid in prognosis decisions. In this chapter, we describe a strategy for characterizing and differentiating FFPE tissues. ToF-SIMS was used to image deparaffinized FFPE mouse embryos and differentiate tissue types. The robustness and repeatability of the method was determined by analyzing ten tissue slices from three different embryos over a period of 1 month. Using principal component analysis (PCA) to reduce the spectral data generated by ToF-SIMS, histopathologically identified tissue types of the mouse embryos can be differentiated based on the characteristic differences in their mass spectra. C1 [Wu, Ligang] Seagate Technol US, Fremont, CA USA. [Wu, Kuang Jen J.] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA USA. [Felton, James S.] Lawrence Livermore Natl Lab, CMELS Directorate, Livermore, CA USA. RP Wu, LG (reprint author), Seagate Technol US, Fremont, CA USA. NR 23 TC 6 Z9 6 U1 0 U2 6 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-745-7 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2010 VL 656 BP 267 EP 281 DI 10.1007/978-1-60761-746-4_16 D2 10.1007/978-1-60761-746-4 PG 15 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BQJ72 UT WOS:000281188000016 PM 20680597 ER PT J AU Tuncer, E AF Tuncer, Enis TI Geometrical Description in Binary Composites and Spectral Density Representation SO MATERIALS LA English DT Review DE composite materials; binary mixtures; dielectric permittivity; spectral density representation; fractal geometry ID COMPLEX DIELECTRIC-CONSTANT; 2-COMPONENT COMPOSITE; OPTICAL-PROPERTIES; ELECTRICAL-CONDUCTIVITY; ANALYTIC CONTINUATION; EFFECTIVE PARAMETERS; RELAXATION PROCESSES; TRANSPORT-PROPERTIES; FRACTAL STRUCTURE; RIGOROUS BOUNDS AB In this review, the dielectric permittivity of dielectric mixtures is discussed in view of the spectral density representation method. A distinct representation is derived for predicting the dielectric properties, permittivities epsilon, of mixtures. The presentation of the dielectric properties is based on a scaled permittivity approach, xi = (epsilon(e) - epsilon(m))(epsilon(i) - epsilon(m))(-1), where the subscripts e, m and i denote the dielectric permittivities of the effective, matrix and inclusion media, respectively [Tuncer, E. J. Phys.: Condens. Matter 2005, 17, L125]. This novel representation transforms the spectral density formalism to a form similar to the distribution of relaxation times method of dielectric relaxation. Consequently, I propose that any dielectric relaxation formula, i.e., the Havriliak-Negami empirical dielectric relaxation expression, can be adopted as a scaled permittivity. The presented scaled permittivity representation has potential to be improved and implemented into the existing data analyzing routines for dielectric relaxation; however, the information to extract would be the topological/morphological description in mixtures. To arrive at the description, one needs to know the dielectric properties of the constituents and the composite prior to the spectral analysis. To illustrate the strength of the representation and confirm the proposed hypothesis, the Landau-Lifshitz/Looyenga (LLL) [Looyenga, H. Physica 1965, 31, 401] expression is selected. The structural information of a mixture obeying LLL is extracted for different volume fractions of phases. Both an in-house computational tool based on the Monte Carlo method to solve inverse integral transforms and the proposed empirical scaled permittivity expression are employed to estimate the spectral density function of the LLL expression. The estimated spectral functions for mixtures with different inclusion concentration compositions show similarities; they are composed of a couple of bell-shaped distributions, with coinciding peak locations but different heights. It is speculated that the coincidence in the peak locations is an absolute illustration of the self-similar fractal nature of the mixture topology (structure) created with the LLL expression. Consequently, the spectra are not altered significantly with increased filler concentration level-they exhibit a self-similar spectral density function for different concentration levels. Last but not least, the estimated percolation strengths also confirm the fractal nature of the systems characterized by the LLL mixture expression. It is concluded that the LLL expression is suitable for complex composite systems that have hierarchical order in their structure. These observations confirm the finding in the literature. C1 Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. RP Tuncer, E (reprint author), Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. EM tuncere@ornl.gov OI Tuncer, Enis/0000-0002-9324-4324 FU U.S. DOE Office of Electricity Delivery and Energy Reliability-Advanced Cables and Conductors [DE-AC05-00OR22725]; Oak Ridge National Laboratory FX This research was sponsored by the U.S. DOE Office of Electricity Delivery and Energy Reliability-Advanced Cables and Conductors, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 113 TC 15 Z9 15 U1 1 U2 7 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1996-1944 J9 MATERIALS JI Materials PD JAN PY 2010 VL 3 IS 1 BP 585 EP 613 DI 10.3390/ma3010585 PG 29 WC Materials Science, Multidisciplinary SC Materials Science GA 864KY UT WOS:000298240100033 ER PT J AU Das, S AF Das, S. BE Mallick, PK TI Recycling and life cycle issues for lightweight vehicles SO MATERIALS, DESIGN AND MANUFACTURING FOR LIGHTWEIGHT VEHICLES SE Woodhead Publishing in Materials LA English DT Article; Book Chapter DE recycling; life cycle; automotive lightweight materials; energy savings ID IMPACTS; METALS AB This chapter addresses recycling and life cycle considerations related to the growing use of lightweight materials in vehicles. The chapter first addresses the benefit of a life cycle perspective in materials choice, and the role that recycling plays in reducing energy inputs and environmental impacts in a vehicle's life cycle. Some limitations of life cycle analysis and results of several vehicle- and fleet-level assessments are drawn from published studies. With emphasis on lightweight materials such as aluminum, magnesium, and polymer composites, the status of the existing recycling infrastructure and technological challenges being faced by the industry also are discussed. C1 Oak Ridge Natl Lab, Energy & Transportat Sci Div, Knoxville, TN 37932 USA. RP Das, S (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM dass@ornl.gov NR 31 TC 1 Z9 1 U1 0 U2 2 PU WOODHEAD PUBL LTD PI CAMBRIDGE PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND BN 978-1-84569-782-2 J9 WOODHEAD PUBL MATER PY 2010 BP 309 EP 331 DI 10.1533/9781845697822.2.309 PG 23 WC Engineering, Manufacturing; Materials Science, Multidisciplinary; Transportation Science & Technology SC Engineering; Materials Science; Transportation GA BRR81 UT WOS:000283503800010 ER PT J AU Kunzel, HM Karagiozis, A AF Kuenzel, H. M. Karagiozis, A. BE Hall, MR TI Hygrothermal behaviour and simulation in buildings SO MATERIALS FOR ENERGY EFFICIENCY AND THERMAL COMFORT IN BUILDINGS SE Woodhead Publishing Series in Energy LA English DT Article; Book Chapter DE hygrothermal analysis; moisture control; environmental loading; building envelope AB Energy efficiency and comfort are two new critical expectations of the modern building owner. With the recent technological advancement in all fields of engineering, buildings are also expected to be durable. Premature or accelerated ageing with the associated damage due to inappropriate design or operation is simply no longer acceptable. To prevent moisture-induced damage in buildings, hygrothermal simulation tools should be used to design envelope parts with good performance. The building envelope responds to the dynamic exterior and interior environmental loads. Temperature and humidity conditions in building structures must not exceed certain thresholds for effective moisture control. This has been recognized recently by a number of standards organizations in Europe and North America that deal with hygrothermal analysis. This chapter presents an overview of the fundamentals, the required material and construction input data, the required exterior and interior environmental loading, and the description of the output results from the heat and moisture transfer models. A few example cases are also presented that demonstrate how moisture problems may be investigated and how better design alternatives can become possible using hygrothermal analysis. Finally, the limits of the current state-of-the-art simulation models are described and futures trends and developments are discussed. C1 [Kuenzel, H. M.] Fraunhofer Inst Bldg Phys IBP, D-83636 Valley, Germany. [Karagiozis, A.] Oak Ridge Natl Lab, BTC, Oak Ridge, TN 37831 USA. RP Kunzel, HM (reprint author), Fraunhofer Inst Bldg Phys IBP, Fraunhofer Str 10, D-83636 Valley, Germany. EM kuenzel@hoki.ibp.fraunhofer.de RI Hall, Matthew/A-7748-2013 NR 17 TC 1 Z9 1 U1 0 U2 2 PU WOODHEAD PUBL LTD PI CAMBRIDGE PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND BN 978-1-84569-927-7 J9 WOODHEAD PUBL SER EN PY 2010 IS 14 BP 54 EP 76 DI 10.1533/9781845699277.1.54 D2 10.1533/9781845699277 PG 23 WC Thermodynamics; Construction & Building Technology; Materials Science, Multidisciplinary SC Thermodynamics; Construction & Building Technology; Materials Science GA BRT97 UT WOS:000283661800003 ER PT J AU Ancelotti, AC Pardini, LC Bezerra, EM Roach, D AF Ancelotti Junior, Antonio Carlos Pardini, Luiz Claudio Bezerra, Eduardo Marcelo Roach, Dennis TI Use of the Mar-Lin Criteria to Determine the Influence of Porosity on the Iosipescu and Short Beam Shear Properties in Carbon Fiber Polymer Matrix Composites SO MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS LA English DT Article DE carbon epoxy composites; porosity; mechanical testing; optical microscopy ID VOID CONTENT; MECHANICAL-PROPERTIES; STRENGTH AB To address a critical aspect of the fast growing use of composites in aircraft and aerospace industry, the influence of the porosity on the shear strength of composites property was investigated as a mean for determining the critical values of porosity. Acid digestion techniques were applied to determine the void volume ratio of two families of carbon epoxy laminates (8 and 16 plies). Ultrasonic inspections revealed the corresponding attenuation coefficients. The void morphology was investigated by optical microscopy. Results from Interlaminar shear and Iosipescu shear tests were correlated with the attenuation coefficient to determine critical values of porosity using a modified Mar-Lin fracture criteria. It has been shown that the shear strength decrease with the increase of void volume ratio and the effects are more significant in thicker laminates. This work showed that by using the Mar-Lin criteria the singularity order, which is an indicative of the sensibility to voids in composites, is dependent of type of loading and void distribution. C1 [Ancelotti Junior, Antonio Carlos; Bezerra, Eduardo Marcelo] ITA, BR-12228900 Sao Jose Dos Campos, SP, Brazil. [Pardini, Luiz Claudio] CTA, Inst Aeronaut & Espaco, Div Mat AMR, BR-12228904 Sao Jose Dos Campos, SP, Brazil. [Roach, Dennis] Sandia Natl Labs, FAA Airworthiness Assurance Ctr, Albuquerque, NM 87185 USA. RP Ancelotti, AC (reprint author), ITA, 50 Vila Acacias, BR-12228900 Sao Jose Dos Campos, SP, Brazil. EM antonio.ancelotti@embraer.com.br FU Materials Division/AMR/TAE/CTA FX The research is part of a collaborative work of the Aeronautical Institute of Technology and the Sandia National Laboratories. The authors express their gratitude to the State of Sao Paulo Research Foundation (Fapesp) process n degrees 2007/55190-8 and the National Council for Scientific and Technological Development (CNPq). The authors would also like to thank the Materials Division/AMR/TAE/CTA for their help in the mechanical tests and the Embraer for their support. NR 24 TC 0 Z9 0 U1 3 U2 6 PU UNIV FED SAO CARLOS, DEPT ENGENHARIA MATERIALS PI SAO CARLOS PA LABORATORIA DE MATERIAIS VITREOS, CAIXA POSTAL 676, SAO CARLOS, 13565-905SP, BRAZIL SN 1516-1439 J9 MATER RES-IBERO-AM J JI Mater. Res.-Ibero-am. J. Mater. PD JAN-MAR PY 2010 VL 13 IS 1 BP 63 EP 69 DI 10.1590/S1516-14392010000100014 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 586GK UT WOS:000276894200014 ER PT S AU Meldrum, A Lopez, R Magruder, RH Boatner, LA White, CW AF Meldrum, A. Lopez, R. Magruder, R. H. Boatner, L. A. White, C. W. BE Bernas, H TI Structure and Properties of Nanoparticles Formed by Ion Implantation SO MATERIALS SCIENCE WITH ION BEAMS SE Topics in Applied Physics LA English DT Review; Book Chapter ID NONLINEAR-OPTICAL PROPERTIES; SURFACE-PLASMON RESONANCE; SILICON NANOCRYSTALS; SI NANOCRYSTALS; SEMICONDUCTOR NANOCRYSTALS; METAL NANOCLUSTERS; FE NANOPARTICLES; GE NANOCRYSTALS; HIGH-COERCIVITY; THIN-FILMS AB This chapter broadly describes the formation, basic microstructure, and fundamental optoelectronic properties of nanocomposites synthesized by ion implantation. It is not meant as a complete literature survey and by no means includes all references on a subject that has seen a considerable amount of research effort in the past 15 years. However, it should be a good starting point for those new to the field and in a concise way summarize the main lines of research by discussing the optical, magnetic, and "smart" properties of these nanoparticles and the dependence of these properties on the overall microstructure. The chapter concludes with an outlook for the future. C1 [Meldrum, A.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2G7, Canada. [Lopez, R.] Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC 27599 USA. [Magruder, R. H.] Belmont Univ, Dept Phys, Nashville, TN 37212 USA. [Boatner, L. A.; White, C. W.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Meldrum, A (reprint author), Univ Alberta, Dept Phys, Edmonton, AB T6G 2G7, Canada. EM ameldrum@ualberta.ca RI Boatner, Lynn/I-6428-2013 OI Boatner, Lynn/0000-0002-0235-7594 NR 89 TC 13 Z9 13 U1 1 U2 13 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0303-4216 BN 978-3-540-88788-1 J9 TOP APPL PHYS JI Top. Appl. Phys. PY 2010 VL 116 BP 255 EP 285 DI 10.1007/978-3-540-88789-8_9 D2 10.1007/978-3-540-88789-8 PG 31 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Nuclear SC Materials Science; Physics GA BLW04 UT WOS:000271196500009 ER PT J AU Weaver, JC Wang, QQ Miserez, A Tantuccio, A Stromberg, R Bozhilov, KN Maxwell, P Nay, R Heier, ST DiMasi, E Kisailus, D AF Weaver, James C. Wang, Qianqian Miserez, Ali Tantuccio, Anthony Stromberg, Ryan Bozhilov, Krassimir N. Maxwell, Peter Nay, Richard Heier, Shinobu T. DiMasi, Elaine Kisailus, David TI Analysis of an ultra hard magnetic biomineral in chiton radular teeth SO MATERIALS TODAY LA English DT Article ID STRUCTURAL ORGANIZATION; ACANTHOPLEURA-ECHINATA; MECHANICAL-PROPERTIES; IRON-MINERALIZATION; PLAXIPHORA-ALBIDA; ELASTIC-MODULUS; FRACTURE; MOLLUSCA; POLYPLACOPHORA; JUNCTION AB Recent analyses of the ultrastructural and mechanical properties of mineralized biological materials have demonstrated some common architectural features that can help explain their observed damage tolerance. Nature has accomplished this feat through the precise control of anisotropic crystal nucleation and growth processes in conjunction with nanoscale control over the self-assembly of spatially distinct organic and inorganic phases, resulting in effective inhibition of crack propagation through these materials. One such example is found in the hyper-mineralized and abrasion resistant radular teeth of the chitons, a group of herbivorous marine mollusks who have the surprising capacity to erode away the rocky substrates on which they graze(1-4). Through the use of modern microscopy and nanomechanical characterization techniques, we describe the architectural and mechanical properties of the radular teeth from Cryptochiton stelleri. Chiton teeth are shown to exhibit the largest hardness and stiffness of any biominerals reported to date, being notably as much as three-fold harder than human enamel and the calcium carbonate-based shells of mollusks. We explain how the unique multi-phasic design of these materials contributes not only to their functionality, but also highlights some interesting design principles that might be applied to the fabrication of synthetic composites. C1 [Weaver, James C.; Wang, Qianqian; Kisailus, David] Univ Calif Riverside, Dept Environm Chem & Engn, Riverside, CA 92521 USA. [Miserez, Ali; Maxwell, Peter] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Miserez, Ali] Univ Calif Santa Barbara, Inst Marine Sci, Santa Barbara, CA 93106 USA. [Tantuccio, Anthony] Cooper Union Adv Sci & Art, Dept Chem Engn, New York, NY 10003 USA. [Stromberg, Ryan; Nay, Richard] Hysitron Inc, Nanomech Res Lab, Minneapolis, MN 55344 USA. [Bozhilov, Krassimir N.] Univ Calif Riverside, Cent Facil Adv Microscopy & Microanal, Riverside, CA 92521 USA. [Heier, Shinobu T.] Thermo Fisher Sci, W Palm Beach, FL 33407 USA. [DiMasi, Elaine] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Kisailus, D (reprint author), Univ Calif Riverside, Dept Environm Chem & Engn, Riverside, CA 92521 USA. EM david@engr.ucr.edu RI Miserez, Ali/D-1074-2010 OI Miserez, Ali/0000-0003-0864-8170 NR 44 TC 47 Z9 47 U1 2 U2 37 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1369-7021 J9 MATER TODAY JI Mater. Today PD JAN-FEB PY 2010 VL 13 IS 1-2 BP 42 EP 52 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA 556EM UT WOS:000274572200016 ER PT J AU Agouzal, A Lipnikov, K Vassilevski, Y AF Agouzal, A. Lipnikov, K. Vassilevski, Yu. TI Edge-based a Posteriori Error Estimators for Generating Quasi-optimal Simplicial Meshes SO MATHEMATICAL MODELLING OF NATURAL PHENOMENA LA English DT Article; Proceedings Paper CT 9th International Conference on Numerical Analysis and Optimization CY DEC 17-19, 2008 CL MOROCCO SP Fac Sci & Technol, Univ Hasan II Mohammedia DE finite elements; anisotropic meshes; a posteriori error estimates AB We present a new method for generating a d-dimensional simplicial mesh that minimizes the L(p)-norm, p > 0, of the interpolation error or its gradient. The method uses edge-based error estimates to build a tensor metric. We describe and analyze the basic steps of our method. C1 [Vassilevski, Yu.] Inst Numer Math, Moscow 119333, Russia. [Agouzal, A.] Univ Lyon 1, Inst Camille Jordan, UMR 5208, F-69100 Villeurbanne, France. [Lipnikov, K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Vassilevski, Y (reprint author), Inst Numer Math, Gubkina Str 8, Moscow 119333, Russia. EM yuri.vassilevski@gmail.com RI Vassilevski, Yuri/A-6068-2016 NR 4 TC 3 Z9 3 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0973-5348 J9 MATH MODEL NAT PHENO JI Math. Model. Nat. Phenom. PY 2010 VL 5 IS 7 SU S BP 91 EP 96 DI 10.1051/mmnp/20105715 PG 6 WC Mathematical & Computational Biology; Mathematics, Interdisciplinary Applications; Multidisciplinary Sciences SC Mathematical & Computational Biology; Mathematics; Science & Technology - Other Topics GA 715LE UT WOS:000286885200016 ER PT B AU Balasubramanian, K AF Balasubramanian, K. BE Milosav, P Ercegovaca, I TI THE MATHEMATICAL BASIS OF PERIODICITY IN ATOMIC AND MOLECULAR SPECTROSCOPY SO MATHEMATICS AND MATHEMATICAL LOGIC: NEW RESEARCH SE Mathematics Research Developments LA English DT Article; Book Chapter ID NUCLEAR-SPIN STATISTICS; C-13(60) BUCKMINSTERFULLERENE; COMPUTER-GENERATION; NONRIGID MOLECULES; ISOMER ENUMERATION; ALGEBRAIC METHODS; CHARACTER TABLES; NMR-SPECTROSCOPY; WEIGHTS; COMBINATORICS C1 [Balasubramanian, K.] Univ Calif Davis, Ctr Image Proc & Integrated Comp, Livermore, CA 95616 USA. [Balasubramanian, K.] Lawrence Livermore Natl Lab, Chem & Appl Mat Sci Directorate, Livermore, CA USA. [Balasubramanian, K.] Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. RP Balasubramanian, K (reprint author), Univ Calif Davis, Ctr Image Proc & Integrated Comp, Livermore, CA 95616 USA. NR 62 TC 0 Z9 0 U1 2 U2 3 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60692-862-2 J9 MATH RES DEV PY 2010 BP 87 EP 114 PG 28 WC Mathematics, Applied; Mathematics SC Mathematics GA BPC56 UT WOS:000278516300004 ER PT S AU Smith, MW AF Smith, Mark W. BE Schmalz, MS Ritter, GX Barrera, J Astola, JT TI A fast partial Fourier transform (FPFT) for data compression and filtering SO MATHEMATICS OF DATA/IMAGE CODING, COMPRESSION, AND ENCRYPTION WITH APPLICATIONS XII SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Mathematics of Data/Image Coding, Compression, and Encryption with Applications XII CY AUG 02-04, 2010 CL San Diego, CA SP SPIE DE fast Fourier transform; partial Fourier transform; data compression; band pass digital filter ID TIME FFT ALGORITHM; X-RAY-SCATTERING; IMPROVEMENTS; LIQUIDS; INPUT; DFT AB A discrete Fourier transform (DFT) or the closely related discrete cosine transform (DCT) is often employed as part of a data compression scheme. This paper presents a fast partial Fourier transform (FPFT) algorithm that is useful for calculating a subset of M Fourier transform coefficients for a data set comprised of N points (M < N). This algorithm reduces to the standard DFT when M = 1 and it reduces to the radix-2, decimation-in-time FFT when M = N and N is a power of 2. The DFT requires on the order of MN complex floating point multiplications to calculate M coefficients for N data points, a complete FFT requires on the order of (N/2)log(2)N multiplications independent of M, and the new FPFT algorithm requires on the order of (N/2)log(2)M + N multiplications. The FPFT algorithm introduced in this paper could be readily adapted to parallel processing. In addition to data compression, the FPFT algorithm described in this paper might be useful for very narrow band filter operations that pass only a small number of non-zero frequency coefficients such that M << N. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Smith, MW (reprint author), Sandia Natl Labs, POB 5800,MS 0406, Albuquerque, NM 87185 USA. EM mwsmit@sandia.gov NR 15 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8295-2 J9 P SOC PHOTO-OPT INS PY 2010 VL 7799 AR 77990F DI 10.1117/12.858371 PG 9 WC Mathematics, Applied; Optics; Imaging Science & Photographic Technology SC Mathematics; Optics; Imaging Science & Photographic Technology GA BSU77 UT WOS:000285834900013 ER PT S AU Datye, A Wu, KH Kulkarni, S Lin, HT Schmidt, J Hunn, D Li, WZ Kumari, L AF Datye, Amit Wu, Kuang-Hsi Kulkarni, S. Lin, H. T. Schmidt, J. Hunn, D. Li, Wenzhi Kumari, Latha BE Singh, D Kriven, WM TI FABRICATION OF SILICON NITRIDE - MULTI-WALLED NANOTUBE COMPOSITES BY DIRECT IN-SITU GROWTH OF NANOTUBES ON SILICON NITRIDE PARTICLES SO MECHANICAL PROPERTIES AND PERFORMANCE OF ENGINEERING CERAMICS AND COMPOSITES IV SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 33rd International Conference on Advanced Ceramics and Composites CY JAN 18-23, 2009 CL Daytona Beach, FL ID CERAMIC-MATRIX NANOCOMPOSITES; MULTIWALLED CARBON NANOTUBES; PART I; MICROSTRUCTURE; TRANSFORMATION; OPPORTUNITIES; STRENGTH; BEHAVIOR; POLYMER; POWDERS AB In this research, Silicon Nitride (Si3N4)-Carbon Nanotube (CNT) composites were fabricated by direct in-situ growth of CNTs on the Si3N4 mixtures using Chemical Vapor Depositon (CVD) followed by Spark Plasma Sintering (SPS). The SPS technique used to sinter these powders is characterized by high heating and cooling rates coupled with pressure which prevents grain coarsening and also allows for densification in a very short period of time compared to the conventional sintering methods. The CVD techniques for in situ CNT growth ensures a more uniform dispersion in the matrix than traditional ex-situ CNT mixing methods. The sintered samples were analyzed using Field Emission Scanning Electron Microscopy (FEGSEM), X Ray Diffraction (XRD), Raman Spectroscopy and High Resolution Transmission Electron Microscopy (HRTEM). FEGSEM analysis of the Si3N4-CNT powders show uniform distribution of multi-walled nanotubes (MWNTs) in the matrix without the formation of bundles seen with traditional ex-situ mixing of CNTs in ceramic compositions. FEGSEM analysis of the fractured surface shows a uniform distribution of CNTs in the ceramic matrix. The presence of CNTs in the matrix is confirmed by Raman Spectroscopy and HRTEM. The Si3N4-MWNT composite thus fabricated shows a more uniform distribution of CNTs in the matrix and excellent CNT retention after sintering at 1850 degrees C. FEGSEM analysis shows a finer grain size due to the presence of CNTs at grain boundaries which inhibit the diffusion related grain growth. C1 [Datye, Amit; Wu, Kuang-Hsi; Kulkarni, S.] Florida Int Univ, Mech & Mat Engn, Miami Beach, FL 33174 USA. [Lin, H. T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Schmidt, J.] Fraunhofer Inst MFG Engn, Dept Appl Mat Res, Dresden, Germany. [Hunn, D.] Lockheed Martin Missiles & Fire Control, Dallas, TX 75089 USA. RP Datye, A (reprint author), Florida Int Univ, Mech & Mat Engn, Miami Beach, FL 33174 USA. OI Kumari, Latha/0000-0001-8820-6043 NR 41 TC 0 Z9 0 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-0-470-45752-8 J9 CERAM ENG SCI PROC PY 2010 VL 30 IS 2 BP 23 EP + PG 4 WC Materials Science, Ceramics SC Materials Science GA BQS19 UT WOS:000281694100002 ER PT S AU Hemrick, JG Lara-Curzio, E King, JF AF Hemrick, James G. Lara-Curzio, Edgar King, James F. BE Singh, D Kriven, WM TI LONG-TERM TEMPERATURE GRADIENT STRESS RELAXATION TESTING AND MODELING OF CERAMIC INSULATION MATERIALS SO MECHANICAL PROPERTIES AND PERFORMANCE OF ENGINEERING CERAMICS AND COMPOSITES IV SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 33rd International Conference on Advanced Ceramics and Composites CY JAN 18-23, 2009 CL Daytona Beach, FL AB Testing was carried out to characterize and predict the long-term thermomechanical properties of Thermal Ceramics Min-K 1400TE thermal insulation material, hereafter referred to as Min-K. In particular, the high temperature gradient stress relaxation behavior of Min-K up to 700 degrees C was evaluated under various thermal gradients and a helium atmosphere for test times of up to over two years. Additionally, finite element and mathematical models were formulated to predict the mechanical behavior exhibited by Min-K out to 50,000 hours based on this testing. This paper discusses the design and construction of unique test equipment to carry out this testing, along with the results of the testing and the subsequent modeling. C1 [Hemrick, James G.; Lara-Curzio, Edgar; King, James F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hemrick, JG (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 2 TC 0 Z9 0 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-0-470-45752-8 J9 CERAM ENG SCI PROC PY 2010 VL 30 IS 2 BP 83 EP 90 PG 8 WC Materials Science, Ceramics SC Materials Science GA BQS19 UT WOS:000281694100007 ER PT S AU Sun, JG Koehl, ER Steckenrider, S Vieillard, C Bayer, T AF Sun, J. G. Koehl, E. R. Steckenrider, S. Vieillard, Charlotte Bayer, Ton BE Singh, D Kriven, WM TI NONDESTRUCTIVE INSPECTION OF CERAMIC BEARING BALLS USING PHASED ARRAY ULTRASONICS SO MECHANICAL PROPERTIES AND PERFORMANCE OF ENGINEERING CERAMICS AND COMPOSITES IV SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 33rd International Conference on Advanced Ceramics and Composites CY JAN 18-23, 2009 CL Daytona Beach, FL ID PARTIAL RING CRACKS; SUBSURFACE PROPAGATION; ROLLING-CONTACT AB Hybrid bearings, consisting of silicon-nitride ceramic rolling elements (e.g., balls) and a metal race, are a critical enabling technology for advanced gas turbines. A primary factor for reliable manufacturing of ceramic bearing balls is to establish an affordable nondestructive inspection method to detect flaws on the ball surface and subsurface. The current inspection method is based on fluorescent penetrant examination under ultra-violet lights, which is a slow process. A nondestructive evaluation (NDE) method, based on ultrasonic Rayleigh waves that are generated/detected by phased array probes, is being investigated for detection and characterization of these flaws, including Hertzian C-cracks. Both detection sensitivity and speed are important parameters to evaluate the performance of this NDE method. This paper describes the principle of this method and presents recent results on detection capability for various flaws in bearing ball specimens. C1 [Sun, J. G.; Koehl, E. R.; Steckenrider, S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Vieillard, Charlotte] Skf Res & Dev Ctr, Nieuwegein, Netherlands. RP Sun, JG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. FU SKF Engineering and Research Center Netherlands; Heavy Vehicle Propulsion Materials Program; [DE-AC05-00OR22725] FX This work was partially sponsored by the SKF Engineering and Research Center, The Netherlands. Research was supported by the Heavy Vehicle Propulsion Materials Program, DOE Office of FreedomCAR and Vehicle Technology Program, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 6 TC 0 Z9 0 U1 1 U2 3 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-0-470-45752-8 J9 CERAM ENG SCI PROC PY 2010 VL 30 IS 2 BP 233 EP + PG 2 WC Materials Science, Ceramics SC Materials Science GA BQS19 UT WOS:000281694100022 ER PT S AU Wang, XL Holden, TM Stoica, AD An, K Skorpenske, HD Jones, AB Rennich, GQ Iverson, EB AF Wang, X. -L. Holden, T. M. Stoica, A. D. An, K. Skorpenske, H. D. Jones, A. B. Rennich, G. Q. Iverson, E. B. BE Akiniwa, Y Akita, K Suzuki, H TI First Results from the VULCAN Diffractometer at the SNS SO MECHANICAL STRESS EVALUATION BY NEUTRONS AND SYNCHROTRON RADIATION SE Materials Science Forum LA English DT Proceedings Paper CT 5th International Conference on Mechanical Stress Evaluation by Neutrons and Synchrotron Radiation CY NOV 10-12, 2009 CL Mito, JAPAN SP Japan Atom Energy Agency, Ibaraki Univ DE Neutron diffraction; Residual stress mapping; Deformation behaviors; Phase transformation kinetics AB On Friday June 26, 2009, the neutron beam shutter for the VULCAN diffractometer at the SNS was opened for the first time. Initial measurements to characterize the instrument performance are reported. It is shown that the measurement results are by and large in agreement with design calculations. New research opportunities with VULCAN are discussed. C1 [Wang, X. -L.; Stoica, A. D.; An, K.; Skorpenske, H. D.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Holden, T. M.] Northern Stress Technol, Deep River, ON KOJ1PO, Canada. [Jones, A. B.; Rennich, G. Q.; Iverson, E. B.] Oak Ridge Natl Lab, Div Neutron Facil Dev, POB 2008, Oak Ridge, TN 37831 USA. RP Wang, XL (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM wangxl@ornl.govl; holdent@magma.ca; stoicaad@ornl.gov; kean@ornl.gov; skorpoenskehd@ornl.gov; jonesab@orn.gov; rennichgg@ornl.gov; iversoneb@ornl.gov RI SNS, VULCAN/C-2061-2012; Wang, Xun-Li/C-9636-2010; Stoica, Alexandru/K-3614-2013; An, Ke/G-5226-2011; OI Wang, Xun-Li/0000-0003-4060-8777; Stoica, Alexandru/0000-0001-5118-0134; An, Ke/0000-0002-6093-429X; Iverson, Erik /0000-0002-7920-705X FU Canada Foundation for Innovation; Division of Scientific User Facilities; Office of Basic Energy Sciences; US Department of Energy [DE-AC05- 00OR22725]; UT-Battelle; LLC FX Major funding for the construction of VUCLAN is provided by Canada Foundation for Innovation. The Spallation Neutron Source is operated with 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. NR 7 TC 22 Z9 22 U1 0 U2 9 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2010 VL 652 BP 105 EP + DI 10.4028/www.scientific.net/MSF.652.105 PG 2 WC Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BTS14 UT WOS:000287945100018 ER PT S AU Holden, TM Brown, DW Clausen, B Suzuki, H AF Holden, T. M. Brown, D. W. Clausen, B. Suzuki, H. BE Akiniwa, Y Akita, K Suzuki, H TI Search for Evidence of Stacking Faults in Austenitic Stainless Steel Alloys by Neutron Diffraction SO MECHANICAL STRESS EVALUATION BY NEUTRONS AND SYNCHROTRON RADIATION SE Materials Science Forum LA English DT Proceedings Paper CT 5th International Conference on Mechanical Stress Evaluation by Neutrons and Synchrotron Radiation CY NOV 10-12, 2009 CL Mito, JAPAN SP Japan Atom Energy Agency, Ibaraki Univ DE Stacking faults; residual strain; neutron diffraction AB Neutron diffraction measurements of strain in austenitic stainless steel alloys are presented to examine whether there are contributions to the shifts from deformation induced stacking faults. Differences between successive orders of reflections are consistent with the presence of stacking faults for 316 stainless steel but not for a NiCrFe steel. C1 [Holden, T. M.] No Stress Technol, Deep River, ON K0J 1P0, Canada. [Brown, D. W.; Clausen, B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Suzuki, H.] Japan Atom Energy Agcy, Tokai, Ibaraki, Japan. RP Holden, TM (reprint author), No Stress Technol, Deep River, ON K0J 1P0, Canada. EM holdent@magma.ca; dbrown@lanl.gov; clausen@lanl.gov; suzuki.hiroshi07@jaea.go.jp RI Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X FU Lujan Neutron Scattering Center at LANSCE; Office of Basic Energy Sciences (DOE); Los Alamos National Security LLC under DOE [DE-AC52-06NA-25396] FX We wish to acknowledge the experimental assistance of Thomas Sisneros at Los Alamos and useful conversations with Prof. Y. Tomota of Ibaraki University. The work has benefitted 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-AC52-06NA-25396. NR 6 TC 4 Z9 4 U1 0 U2 1 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2010 VL 652 BP 129 EP + DI 10.4028/www.scientific.net/MSF.652.129 PG 2 WC Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BTS14 UT WOS:000287945100022 ER PT S AU Muransky, O Barnett, MR Carr, DG Vogel, S Oliver, EC AF Muransky, O. Barnett, M. R. Carr, D. G. Vogel, S. Oliver, E. C. BE Akiniwa, Y Akita, K Suzuki, H TI Combined in situ neutron diffraction and acoustic emission of twin nucleation & twin growth in extruded ZM20 Mg alloy SO MECHANICAL STRESS EVALUATION BY NEUTRONS AND SYNCHROTRON RADIATION SE Materials Science Forum LA English DT Proceedings Paper CT 5th International Conference on Mechanical Stress Evaluation by Neutrons and Synchrotron Radiation CY NOV 10-12, 2009 CL Mito, JAPAN SP Japan Atom Energy Agency, Ibaraki Univ DE magnesium; deformation twinning; twin nucleation; neutron diffraction; acoustic emission ID GRAIN-SIZE AB In the present work in situ neutron diffraction and acoustic emission were used concurrently to study deformation twinning in two ZM20 Mg alloys with significantly different grain sizes at room temperature. The combination of these techniques allows differentionation between the twin nucleation and the twin growth mechanisms. It is shown, that yielding and immediate post-yielding plasticity in compression is governed primarily by twin nucleation, whereas the plasticity at higher strains is governed by twin growth. The current results further suggest that yielding by twinning happens in a slightly different manner in the fine-grained as compared to the coarse-grained alloy. C1 [Muransky, O.; Carr, D. G.] Australian Nucl Sci & Technol Org, Inst Mat Engn, PMB 1, Menai, NSW 2234, Australia. [Barnett, M. R.] Deakin Univ, Sch Engn, Geelong, Vic 3217, Australia. [Vogel, S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Oliver, E. C.] ISIS Facil, CCLRC, Rutherford Appleton Lab, Didcot OX110QK, Oxon, England. RP Muransky, O (reprint author), Australian Nucl Sci & Technol Org, Inst Mat Engn, PMB 1, Menai, NSW 2234, Australia. EM ondrej.muransky@ansto.gov.au; matthew.barnett@deakin.edu.au; david.carr@ansto.gov.au; sven@lanl.gov; e.c.oliver@stfc.ac.uk RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 NR 8 TC 1 Z9 1 U1 0 U2 8 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2010 VL 652 BP 149 EP + DI 10.4028/www.scientific.net/MSF.652.149 PG 2 WC Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BTS14 UT WOS:000287945100026 ER PT S AU Bruno, G Efremov, AM Levandovskiy, AN Pozdnyakova, I Hughes, DJ Clausen, B AF Bruno, Giovanni Efremov, Alexander M. Levandovskiy, Andrey N. Pozdnyakova, Irina Hughes, Darren J. Clausen, Bjorn BE Akiniwa, Y Akita, K Suzuki, H TI Thermal and Mechanical Response of Industrial Porous Ceramics SO MECHANICAL STRESS EVALUATION BY NEUTRONS AND SYNCHROTRON RADIATION SE Materials Science Forum LA English DT Proceedings Paper CT 5th International Conference on Mechanical Stress Evaluation by Neutrons and Synchrotron Radiation CY NOV 10-12, 2009 CL Mito, JAPAN SP Japan Atom Energy Agency, Ibaraki Univ DE Neutron Diffraction; Porous Ceramics; Microcracking; Silicon Carbide; beta-Eucryptite; Alumina; Cordierite; Compression Testing; Young's Modulus; Visco-Elasticity ID DEPENDENT ELASTIC-MODULI AB In this study, the mechanical behavior of porous thermally microcracked ceramics has been compared with that of solely porous materials, under compressive applied stress. The different aspects of the micro and macroscopic stress-strain curves have been inserted into a coherent analytical model and compared with finite element modeling calculations. The agreement between experiments and models is very good. It is shown that mechanical microcracking, as opposed to thermal, introduces an irreversible aspect in the deformation mechanisms of porous ceramics. In this concern, mechanical loads differentiate themselves from thermal cycling. This leads for instance to a change of the Young's modulus as a function of applied load, which qualifies those materials as visco-elastic. C1 [Bruno, Giovanni] CETC, Corning SAS, 7Bis Av Valvins, Avon, France. [Efremov, Alexander M.; Levandovskiy, Andrey N.] CSC, Coming OOO, St Petersburg R-194021, Russia. [Pozdnyakova, Irina] CNRS, CEHNTI, F-45071 Orleans, France. [Hughes, Darren J.] ILL Grenoble, F-38042 Grenoble, France. [Clausen, Bjorn] Los Alamos Neutron Scattering Ctr, Univ Calif Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bruno, G (reprint author), CETC, Corning SAS, 7Bis Av Valvins, Avon, France. EM brunog@corning.com; efremovam@corning.com RI Bruno, Giovanni/E-2817-2013; Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X NR 8 TC 13 Z9 13 U1 0 U2 1 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2010 VL 652 BP 191 EP + DI 10.4028/www.scientific.net/MSF.652.191 PG 2 WC Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BTS14 UT WOS:000287945100033 ER PT S AU Giancardo, L Meriaudeau, F Karnowski, TP Tobin, KW Li, YQ Chaum, E AF Giancardo, Luca Meriaudeau, Fabrice Karnowski, Thomas P. Tobin, Kenneth W. Li, Yaqin Chaum, Edward BE Dawant, BM Haynor, DR TI Microaneurysms Detection with the Radon Cliff Operator in Retinal Fundus Images. SO MEDICAL IMAGING 2010: IMAGE PROCESSING SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging 2010 - Image Processing CY FEB 14-16, 2010 CL San Diego, CA SP SPIE, Medtronic, Inc., Aeroflex, Inc., OpenXi, Tungsten Heavy Powder, Inc. DE radon transform; diabetic retinopathy; segmentation AB Diabetic Retinopathy (DR) is one of the leading causes of blindness in the industrialized world. Early detection is the key in providing effective treatment. However, the current number of trained eye care specialists is inadequate to screen the increasing number of diabetic patients. In recent years, automated and semi-automated systems to detect DR with color fundus images have been developed with encouraging, but not fully satisfactory results. In this study we present the initial results of a new technique for the detection and localization of microaneurysms, an early sign of DR. The algorithm is based on three steps: candidates selection, the actual microaneurysms detection and a final probability evaluation. We introduce the new Radon Cliff operator which is our main contribution to the field. Making use of the Radon transform, the operator is able to detect single noisy Gaussian-like circular structures regardless of their size or strength. The advantages over existing microaneurysms detectors are manifold: the size of the lesions can be unknown, it automatically distinguishes lesions from the vasculature and it provides a fair approach to microaneurysm localization even without post-processing the candidates with machine learning techniques, facilitating the training phase. The algorithm is evaluated on a publicly available dataset from the Retinopathy Online Challenge. C1 [Giancardo, Luca; Karnowski, Thomas P.; Tobin, Kenneth W.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Giancardo, L (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. OI Giancardo, Luca/0000-0002-4862-2277 NR 11 TC 3 Z9 3 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8024-8 J9 PROC SPIE PY 2010 VL 7623 AR 76230U DI 10.1117/12.844442 PG 8 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BSO04 UT WOS:000285048800028 ER PT S AU Kerekes, RA Gleason, SS Trivedi, N Solecki, DJ AF Kerekes, Ryan A. Gleason, Shaun S. Trivedi, Niraj Solecki, David J. BE Dawant, BM Haynor, DR TI Automated method for tracing leading and trailing processes of migrating neurons in confocal image sequences SO MEDICAL IMAGING 2010: IMAGE PROCESSING SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging 2010 - Image Processing CY FEB 14-16, 2010 CL San Diego, CA SP SPIE, Medtronic, Inc., Aeroflex, Inc., OpenXi, Tungsten Heavy Powder, Inc. DE neuron migration; image segmentation; tracing ID MORPHOLOGY AB Segmentation, tracking, and tracing of neurons in video imagery are important steps in many neuronal migration studies and can be inaccurate and time-consuming when performed manually. In this paper, we present an automated method for tracing the leading and trailing processes of migrating neurons in time-lapse image stacks acquired with a confocal fluorescence microscope. In our approach, we first locate and track the soma of the cell of interest by smoothing each frame and tracking the local maxima through the sequence. We then trace the leading process in each frame by starting at the center of the soma and stepping repeatedly in the most likely direction of the leading process. This direction is found at each step by examining second derivatives of fluorescent intensity along curves of constant radius around the current point. Tracing terminates after a fixed number of steps or when fluorescent intensity drops below a fixed threshold. We evolve the resulting trace to form an improved trace that more closely follows the approximate centerline of the leading process. We apply a similar algorithm to the trailing process of the cell by starting the trace in the opposite direction. We demonstrate our algorithm on two time-lapse confocal video sequences of migrating cerebellar granule neurons (CGNs). We show that the automated traces closely approximate ground truth traces to within 1 or 2 pixels on average. Additionally, we compute line intensity profiles of fluorescence along the automated traces and quantitatively demonstrate their similarity to manually generated profiles in terms of fluorescence peak locations. C1 [Kerekes, Ryan A.; Gleason, Shaun S.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Kerekes, RA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. EM kerekesra@ornl.gov; gleasonss@ornl.gov NR 5 TC 1 Z9 1 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8024-8 J9 PROC SPIE PY 2010 VL 7623 AR 76233T DI 10.1117/12.843851 PG 10 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BSO04 UT WOS:000285048800130 ER PT S AU Huang, LJ Simonetti, F Huthwaite, P Rosenberg, R Williamson, M AF Huang, Lianjie Simonetti, Francesco Huthwaite, Peter Rosenberg, Robert Williamson, Michael BE D'hooge, J McAleavey, SA TI Detecting breast microcalcifications using super-resolution and wave-equation ultrasound imaging: A numerical phantom study SO MEDICAL IMAGING 2010: ULTRASONIC IMAGING, TOMOGRAPHY, AND THERAPY SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging 2010 - Ultrasonic Imaging, Tomography and Therapy CY FEB 14-15, 2010 CL San Diego, CA SP SPIE DE Breast microcalcification; diffraction; factorization; reflection; scattering; super-resolution imaging; ultrasound imaging; wave equation ID VIBRO-ACOUSTOGRAPHY; MAMMOGRAPHY; CANCER AB Ultrasound image resolution and quality need to be significantly improved for breast microcalcification detection. Super-resolution imaging with the factorization method has recently been developed as a promising tool to break through the resolution limit of conventional imaging. In addition, wave-equation reflection imaging has become an effective method to reduce image speckles by properly handling ultrasound scattering/diffraction from breast heterogeneities during image reconstruction. We explore the capabilities of a novel super-resolution ultrasound imaging method and a wave-equation reflection imaging scheme for detecting breast microcalcifications. Super-resolution imaging uses the singular value decomposition and a factorization scheme to achieve an image resolution that is not possible for conventional ultrasound imaging. Wave-equation reflection imaging employs a solution to the acoustic-wave equation in heterogeneous media to backpropagate ultrasound scattering/diffraction waves to scatters and reconstruct images of heterogeneities. We construct numerical breast phantoms using in vivo breast images, and use a finite-difference wave-equation scheme to generate ultrasound data scattered from inclusions that mimic microcalcifications. We demonstrate that microcalcifications can be detected at full spatial resolution using the super-resolution ultrasound imaging and wave-equation reflection imaging methods. C1 [Huang, Lianjie] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Huang, LJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ljh@lanl.gov OI Simonetti, Francesco/0000-0001-8772-0323 NR 21 TC 0 Z9 0 U1 1 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8030-9 J9 PROC SPIE PY 2010 VL 7629 AR 762919 DI 10.1117/12.844459 PG 10 WC Engineering, Biomedical; Optics; Physics, Applied; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging GA BSK54 UT WOS:000284751400042 ER PT S AU Lang, SB Lashley, JC Modic, KA Fisher, RA Zhu, WM Ye, ZG AF Lang, S. B. Lashley, J. C. Modic, K. A. Fisher, R. A. Zhu, W. M. Ye, Z. G. GP IEEE TI Specific heat of a Ferroelectric PZT Ceramic at the Morphotropic Phase Boundary SO MELECON 2010: THE 15TH IEEE MEDITERRANEAN ELECTROTECHNICAL CONFERENCE SE IEEE Mediterranean Electrotechnical Conference-MELECON LA English DT Proceedings Paper CT 15th IEEE Mediterranean Electrotechnical Conference (MELECON 2010) CY APR 25-28, 2010 CL Univ Malta, MALTA HO Univ Malta ID CAPACITY AB Ferroelectric ceramic materials have a wide range of applications because of their piezoelectric and pyroelectric properties. One of their most important physical properties is the specific heat. In this study, the specific heats of a series of lead-zirconate-titanate (PZT) compositions in the vicinity of the morphotropic phase boundary (MPB) were measured. The temperature range was from 1.8 to 300 K. It is believed that these are the lowest temperature measurements ever made on PZT. Differences between the specific heats of the different compositions were very small. However, the calculated Debye temperatures were slightly different. The results are useful in computing design parameters for technical devices. C1 [Lang, S. B.] Ben Gurion Univ Negev, Dept Chem Engn, IL-84105 Beer Sheva, Israel. [Lashley, J. C.; Modic, K. A.] Los Alamos Natl Lab, Los Alamos, NM USA. [Fisher, R. A.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Zhu, W. M.; Ye, Z. G.] Simon Fraser Univ, Dept Chem & 4D Labs, Burnaby, BC, Canada. RP Lang, SB (reprint author), Ben Gurion Univ Negev, Dept Chem Engn, IL-84105 Beer Sheva, Israel. EM lang@bgu.ac.il RI Lang, Sidney/F-1308-2012 NR 8 TC 0 Z9 0 U1 1 U2 4 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2158-8481 BN 978-1-4244-5795-3 J9 IEEE MEDITERR ELECT PY 2010 BP 23 EP 25 DI 10.1109/MELCON.2010.5476345 PG 3 WC Engineering, Electrical & Electronic SC Engineering GA BTI54 UT WOS:000286988200005 ER PT S AU Zhao, R Koschny, T Economou, EN Soukoulis, CM AF Zhao, R. Koschny, Th. Economou, E. N. Soukoulis, C. M. BE Boardman, AD Engheta, N Noginov, MA Zheludev, NI TI Chiral metamaterials reduce the attractive Casimir force SO METAMATERIALS: FUNDAMENTALS AND APPLICATIONS III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Metamaterials: Fundamentals and Applications III CY AUG 01-05, 2010 CL San Diego, CA SP SPIE DE repulsive Casimir force; chiral metamaterials AB In our previous work [R. Zhao, J. Zhou, Th. Koschny, E. N. Economou, and C. M. Soukoulis, Phys. Rev. Lett. 103, 103602 (2009)], we demonstrated theoretically that one can obtain repulsive Casimir forces and stable nanolevitations by using chiral metamaterials if the chirality is strong enough. In our recent work [R. Zhao, Th. Koschny, E. N. Economou, and C. M. Soukoulis, Phys. Rev. B 81, 235126 (2010)], we checked some chiral metamaterial designs and found that the artificial chiral metamaterials constructed by passive materials is very difficult to reach the critical chirality to realize repulsive Casimir force. Therefore, in this paper, we give a four-folded rotated Omega-particle chiral metamaterial as an example, use the effective medium approximation to retrieval the constitutive parameters, and take the same procedure as we did before to see how much the chiral metamaterial can reduce the attractive force. It shows that this un-optimized chiral metamaterial can reduce the Casimir attraction by 70%. C1 [Zhao, R.; Koschny, Th.; Soukoulis, C. M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Zhao, R (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RI Zhao, Rongkuo/B-5731-2008 NR 20 TC 1 Z9 1 U1 1 U2 12 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8250-1 J9 PROC SPIE PY 2010 VL 7754 AR 77540Z DI 10.1117/12.862555 PG 7 WC Materials Science, Multidisciplinary; Optics; Physics, Condensed Matter SC Materials Science; Optics; Physics GA BTQ29 UT WOS:000287759400012 ER PT B AU Liu, H Liu, YM Li, T Wang, SM Zhu, SN Zhang, X AF Liu, H. Liu, Y. M. Li, T. Wang, S. M. Zhu, S. N. Zhang, X. BE Cui, TJ Smith, DR Liu, R TI Magnetic Plasmon Modes Introduced by the Coupling Effect in Metamaterials SO METAMATERIALS: THEORY, DESIGN, AND APPLICATIONS LA English DT Article; Book Chapter DE Metamaterial; magnetic plasmon; polariton; magneto-inductive wave; subwavelength waveguide; stereometamaterial; hybridization effect; average effect; coupling effect; optical activity; split-ring resonator; fishnet; slit-hole resonator ID SPLIT-RING RESONATORS; NEGATIVE REFRACTIVE-INDEX; MAGNETOINDUCTIVE WAVES; 2ND-HARMONIC GENERATION; DIFFRACTION LIMIT; HYBRIDIZATION; NANOPARTICLES; FREQUENCIES; DIMENSIONS; ARRAYS AB Magnetic metamaterials consist of magnetic resonators smaller in size than their excitation wavelengths. Their unique electromagnetic properties were characterized by the effective media theory at the early stage. However, the effective media model does not take into account the interactions between magnetic elements; thus, the effective properties of bulk metamaterials are the result of the "averaged effect" of many uncoupled resonators. In recent years, it has been shown that the interaction between magnetic resonators could lead to some novel phenomena and interesting applications that do not exist in conventional uncoupled metamaterials. In this chapter, we will give a review of recent developments in magnetic plasmonics arising from the coupling effect in metamaterials. For the system composed of several identical magnetic resonators, the Coupling between these units produces multiple discrete resonance modes due to hybridization. In the case of a system comprising an infinite number of magnetic elements, these multiple discrete resonances can be extended to form a continuous frequency hand by strong coupling. This kind of broadband and tunable magnetic metamaterial may have interesting applications. Many novel metamaterials and nanophotonic devices Could be developed from coupled resonator systems in the future. C1 [Liu, H.; Li, T.; Wang, S. M.; Zhu, S. N.] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China. [Liu, Y. M.; Zhang, X.] Univ Calif Berkeley, Nanoscale Sci & Engn Ctr, Berkeley, CA 94720 USA. [Zhang, X.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Liu, H (reprint author), Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China. EM liuhui@nju.edu.cn; ymliu@berkeley.edu; taoli@nju.edu.cn; smwang@nju.edu.cn; snzhu@nju.edu.cn; xiang@berkeley.edu NR 80 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4419-0572-7 PY 2010 BP 247 EP 269 DI 10.1007/978-1-4419-0573-4_11 D2 10.1007/978-1-4419-0573-4 PG 23 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BMG60 UT WOS:000272297500011 ER PT J AU Hoversten, GM Milligan, P Byun, J Washbourne, J Knauer, LC Harness, P AF Hoversten, G. Michael Milligan, Paul Byun, Joongmoo Washbourne, John Knauer, Larry C. Harness, Paul BA Jack, IG BF Jack, IG BE Johnston, DH Abriel, WL Ahmad, FI Brown, AR Lewallen, KT MacBeth, CD Muhuri, SK Payne, MA Schuelke, JS Sheriff, RE Tubman, KM Waggoner, JR Wilt, MJ TI Crosswell Electromagnetic and Seismic Imaging: An Examination of Coincident Surveys at a Steam-flood Project SO METHODS AND APPLICATIONS IN RESERVOIR GEOPHYSICS SE Investigations in Geophysics LA English DT Article; Book Chapter ID RESERVOIR; TOMOGRAPHY AB We studied crosswell electromagnetic and seismic images of three oil-saturated intervals within a southern California heavy-oil field undergoing a steam flood. The crosswell survey is located in a portion of the field where one well is in a "cold spot," resulting in differing steam propagation within the three units. Log analysis shows linear or second-order polynomial relationships (with correlation coefficients greater than 0.7) between electrical conductivity and water saturation, porosity, and clay content, whereas only a weakly linear relationship can be found between velocity and temperature in the lower unit studied. Crosswell seismic data are used to produce a velocity tomogram and a reflection section, and crosswell electromagnetic data are used to produce a conductivity section and derived porosity and water saturation. The seismic velocities from the tomograms show lateral variations consistent with the lateral variations in temperature seen in observation wells on either side of the crosswell section. The continuity and disruption of seismic reflections coincide with zones of continuous and variable porosity and water saturation as produced from the crosswell electromagnetic inverted conductivity section, and the derived regression fits between conductivity and porosity/water saturation. Seismic velocities, reflections, electrical conductivity, and the derived porosity and water-saturation sections all contribute to explaining the observed lateral temperature variations among the wells within the three reservoir units. The unit with high steam content has low water saturation, high porosity, and laterally continuous low-velocity and seismic reflections, consistent with no barriers to flow. The upper unit, where steam breaks through later in the experiment, also has high porosity and laterally continuous seismic reflections. However, it shows a velocity gradient between the hot and cold wells consistent with the lack of steam in the cold well at the time of the experiment. The middle unit, in which steam never reaches the cold well during the experiment, has the highest water saturation and the largest zone of reduced porosity and disrupted seismic reflections, indicating a possible barrier to flow. C1 [Hoversten, G. Michael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Milligan, Paul; Byun, Joongmoo] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Washbourne, John] Core Labs Inc, New York, NY USA. [Knauer, Larry C.; Harness, Paul] Texaco Worldwide Explorat & Prod, Albany, CA USA. RP Hoversten, GM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 11 TC 0 Z9 0 U1 0 U2 0 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA PO BOX 702740, TULSA, OK 74170 USA BN 978-1-56080-216-7 J9 INVEST GEOP PY 2010 VL 15 BP 451 EP 459 D2 10.1190/1.9781560802174 PG 9 WC Geochemistry & Geophysics; Engineering, Petroleum SC Geochemistry & Geophysics; Engineering GA BC7SZ UT WOS:000355200000048 ER PT S AU Reinhard, BM Yassif, JM Vach, P Liphardt, J AF Reinhard, Bjorn M. Yassif, Jaime M. Vach, Peter Liphardt, Jan BE Walter, NG TI PLASMON RULERS AS DYNAMIC MOLECULAR RULERS IN ENZYMOLOGY SO METHODS IN ENZYMOLOGY, VOL 475: SINGLE MOLECULE TOOLS, PT B: SUPER-RESOLUTION, PARTICLE TRACKING, MULTIPARAMETER, AND FORCE BASED METHODS SE Methods in Enzymology LA English DT Review; Book Chapter ID METAL NANOPARTICLE PAIRS; GOLD NANOPARTICLES; OPTICAL-PROPERTIES; ENERGY-TRANSFER; SINGLE; DNA; SPECTROSCOPY; MICROSCOPY; CLEAVAGE; DISTANCE AB This chapter provides an introduction to the concept of "plasmon rulers," pairs of biopolymer-linked tethered nanoparticles which act as nonblinking, non-bleaching rulers for dynamic molecular distance measurements. Plasmon rulers utilize the distance dependence of the plasmon coupling between individual noble metal particles to measure distances. Although the plasmon ruler approach is still an emerging technology, proof-of-principle experiments have demonstrated that plasmon rulers can already be used to investigate structural fluctuations in nucleoprotein complexes, monitor nuclease catalyzed DNA or RNA cleavage reactions, and detect DNA bending. The physical concepts underlying plasmon rulers are summarized, and effective assembly approaches as well as recent applications are discussed. Plasmon rulers are a useful addition to the single molecule biophysics toolbox, since they allow single biomolecules to be continuously monitored for days at high temporal resolutions. C1 [Reinhard, Bjorn M.] Boston Univ, Dept Chem, Photon Ctr, Boston, MA 02215 USA. [Yassif, Jaime M.; Vach, Peter; Liphardt, Jan] Univ Calif Berkeley, Dept Phys, Biophys Grad Grp, Berkeley, CA 94720 USA. [Yassif, Jaime M.; Vach, Peter; Liphardt, Jan] Univ Calif Berkeley, Bay Area Phys Sci Oncol Ctr, Berkeley, CA 94720 USA. [Yassif, Jaime M.; Liphardt, Jan] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Reinhard, BM (reprint author), Boston Univ, Dept Chem, Photon Ctr, 590 Commonwealth Ave, Boston, MA 02215 USA. RI Liphardt, Jan/A-5906-2012; OI Liphardt, Jan/0000-0003-2835-5025 NR 41 TC 6 Z9 7 U1 0 U2 10 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-381482-1 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2010 VL 475 BP 175 EP 198 DI 10.1016/S0076-6879(10)75008-4 PG 24 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BQD36 UT WOS:000280733800008 PM 20627158 ER PT S AU Sun, JC Li, HL AF Sun, Jingchuan Li, Huilin BE Jensen, GJ TI HOW TO OPERATE A CRYO-ELECTRON MICROSCOPE SO METHODS IN ENZYMOLOGY, VOL 481: CRYO-EM, PART A - SAMPLE PREPARATION AND DATA COLLECTION SE Methods in Enzymology LA English DT Review; Book Chapter ID ELECTRON-MICROSCOPY; SENSITIVE SPECIMENS; RESOLUTION; BEAM AB We describe the basic principles for imaging frozen-hydrated specimens in a transmission electron microscope and provide a step-by-step guide to a new user, from starting up and aligning the microscope, to loading a cryo-grid into the specimen holder and inserting the holder into the microscope, to setting up the low dose mode for imaging, and eventually to shutting down the microscope. The procedure is based on a JEOL TEM; however, it is applicable to microscopes from other manufacturers with small modifications. We also give several tips on how to minimize specimen exposure before taking pictures; how to minimize the specimen drift and charging during exposure; how to estimate the thickness of the vitreous ice, and how to quickly estimate the electron exposure dose. Despite recent advances in instrumentation, the microscopist's patience and attention to detail may still be the key to acquiring a high quality cryo-electron micrograph. C1 [Sun, Jingchuan; Li, Huilin] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Li, Huilin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. RP Sun, JC (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. FU NCRR NIH HHS [S10 RR025415]; NIA NIH HHS [R01 AG029979]; NIGMS NIH HHS [R01 GM074985] NR 14 TC 4 Z9 4 U1 2 U2 9 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-374906-2 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2010 VL 481 BP 231 EP 249 DI 10.1016/S0076-6879(10)81010-9 PG 19 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BRR95 UT WOS:000283516900011 PM 20887860 ER PT S AU Downing, KH Nogales, E AF Downing, Kenneth H. Nogales, Eva BE Jensen, GJ TI CRYOELECTRON MICROSCOPY APPLICATIONS IN THE STUDY OF TUBULIN STRUCTURE, MICROTUBULE ARCHITECTURE, DYNAMICS AND ASSEMBLIES, AND INTERACTION OF MICROTUBULES WITH MOTORS SO METHODS IN ENZYMOLOGY, VOL 483: CRYO-EM, PART C: ANALYSES, INTERPRETATION, AND CASE STUDIES SE Methods in Enzymology LA English DT Review; Book Chapter ID CRYO-ELECTRON MICROSCOPY; ZINC-INDUCED SHEETS; ALPHA-BETA-TUBULIN; 3-DIMENSIONAL STRUCTURE; MOLECULAR ARCHITECTURE; FLAGELLAR MICROTUBULES; SURFACE LATTICE; EPOTHILONE-A; RESOLUTION; COMPLEX AB Cryo-EM is ideally suited for the study of cytoskeleton polymers and their interaction with cellular partners. Our understanding of microtubule (MT) structure and interactions has benefited tremendously from the application of different EM techniques, from the use of electron crystallography to determine the first high-resolution structure of tubulin, to electron tomographic reconstructions of unique MT-based organelles; from molecular details governing the regulated interaction of MTs with kinesin motors, to an atomic description of how antimitotic agents bind to tubulin and affect MT stability. In this chapter, we review these structural findings with an emphasis on how cryo-EM enables our studies. C1 [Downing, Kenneth H.; Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Lab, Donner Lab, Div Life Sci, Berkeley, CA 94720 USA. [Nogales, Eva] UC Berkeley, Dept Mol & Cell Biol, Howard Hughes Med Inst, Berkeley, CA USA. RP Downing, KH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Donner Lab, Div Life Sci, Berkeley, CA 94720 USA. FU Howard Hughes Medical Institute; NIGMS NIH HHS [GM51487, P01 GM051487] NR 55 TC 5 Z9 5 U1 1 U2 11 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-384993-9 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2010 VL 483 BP 121 EP 142 DI 10.1016/S0076-6879(10)83006-X PN C PG 22 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BRR12 UT WOS:000283461900006 PM 20888472 ER PT S AU Forster, F Han, BG Beck, M AF Foerster, Friedrich Han, Bong-Gyoon Beck, Martin BE Jensen, GJ TI VISUAL PROTEOMICS SO METHODS IN ENZYMOLOGY, VOL 483: CRYO-EM, PART C: ANALYSES, INTERPRETATION, AND CASE STUDIES SE Methods in Enzymology LA English DT Review; Book Chapter ID PATHOGEN LEPTOSPIRA-INTERROGANS; CRYOELECTRON TOMOGRAPHY; LUMAZINE SYNTHASE; CRYSTAL-STRUCTURE; ELECTRON-MICROGRAPHS; ANGSTROM RESOLUTION; PROTEIN COMPLEXES; IDENTIFICATION; ORGANIZATION; DATABASE AB Visual proteomics attempts to generate molecular atlases by providing the position and angular orientation of protein complexes inside of cells. This is accomplished by template matching (pattern recognition), a cross-correlation-based process that matches the structure of a specific protein complex to the densities of the whole volume or subvolume of a cell, that is typically acquired by cryoelectron tomography. Thereby, a search is performed that scans the entire volume for structural templates contained in a database. In this chapter, we primarily describe the practical experiences gained with visual proteomics during the Leptospira interrogans proteome project [Beck et al. (2009). Visual proteomics of the human pathogen Leptospira interrogans. Nat. Methods 6, 817.]. We give a practical guide how to implement the method and review critical experimental and computational aspects in detail. Based on a survey that has been undertaken for protein complexes from Desulfovibrio vulgaris, we review the difficulty of generating reference structures in detail. Finally, we discuss the high yield targets for technical improvements. C1 [Foerster, Friedrich] Max Planck Inst Biochem, Dept Biol Struct, D-82152 Martinsried, Germany. [Han, Bong-Gyoon] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Beck, Martin] European Mol Biol Lab, Heidelberg, Germany. RP Forster, F (reprint author), Max Planck Inst Biochem, Dept Biol Struct, Klopferspitz 18A, D-82152 Martinsried, Germany. RI Beck, Martin/B-5589-2011; Han, Bong-Gyoon/J-9120-2012; Foerster, Friedrich/D-3710-2009 OI Beck, Martin/0000-0002-7397-1321; Foerster, Friedrich/0000-0002-6044-2746 NR 36 TC 27 Z9 27 U1 0 U2 4 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-384993-9 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2010 VL 483 BP 215 EP 243 DI 10.1016/S0076-6879(10)83011-3 PN C PG 29 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BRR12 UT WOS:000283461900011 PM 20888477 ER PT S AU Joy, DC Michael, J Griffin, B AF Joy, David C. Michael, Joseph Griffin, Brendan BE Raymond, CJ TI Evaluating SEM Performance from the Contrast Transfer Function SO METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XXIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Metrology, Inspection, and Process Control for Microlithography XXIV CY FEB 22-25, 2010 CL San Jose, CA SP SPIE, Nava Measur Instruments Ltd DE SEM; resolution; signal to noise; metrology; Fourier analysis ID RESOLUTION AB Although Scanning Electron Microscopes (SEM) have improved greatly over the last decade the techniques usually employed to measure their performance have not changed significantly in half a century. In particular, describing the imaging performance of an SEM by a single number - its 'resolution' - provides no useful information about its real world imaging capabilities nor about any of the factors that might limit that usefulness of the SEM for tasks such as metrology. The Contrast Transfer Function (CTF) discussed here analyses the way in which the SEM processes signal components of different spatial frequencies. The resultant plot provides information on the noise limited spatial resolution limit, predicts how this will vary with noise level, and provides a powerful general diagnostic capability. This type of measurement, which has become standard practice for transmission electron microscopes, can be performed using the public domain software package IMAGE-J, is rapid, and requires only a specimen offering a broad and flat Fourier spectrum. The capabilities of this approach are demonstrated by a number of examples C1 [Joy, David C.; Griffin, Brendan] Oak Ridge Natl Lab, Ctr NanoPhase Mat Sci, Oak Ridge, TN 37831 USA. RP Joy, DC (reprint author), Oak Ridge Natl Lab, Ctr NanoPhase Mat Sci, Oak Ridge, TN 37831 USA. RI Griffin, Brendan/D-5686-2011 NR 5 TC 5 Z9 5 U1 0 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8052-1 J9 PROC SPIE PY 2010 VL 7638 AR 76383J DI 10.1117/12.846455 PG 8 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BSN99 UT WOS:000285046100109 ER PT S AU Auciello, O Sumant, AV Goldsmith, C O'Brien, S Sampath, S Gudeman, C Wang, W Hwang, JCM Swonger, J Carlisle, JA Balachandran, S Mancini, DC AF Auciello, O. Sumant, A. V. Goldsmith, C. O'Brien, S. Sampath, S. Gudeman, C. Wang, W. Hwang, J. C. M. Swonger, J. Carlisle, J. A. Balachandran, S. Mancini, D. C. BE George, T Islam, MS Dutta, AK TI Fundamentals and technology for monolithically integrated RF MEMS switches with ultra-nanocrystalline diamond dielectric/CMOS devices SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS II SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications II CY APR 05-09, 2010 CL Orlando, FL SP SPIE DE Ultrananocrystalline diamond; thin films; RF-MEMS switches; MEMS/NEMS devices ID ULTRANANOCRYSTALLINE DIAMOND; CVD DIAMOND; THIN-FILMS AB Most current capacitive RF-MEMS switch technology is based on conventional dielectric materials such as SiO(2) and Si(3)N(4). However, they suffer not only from charging problems but also stiction problems leading to premature failure of an RF-MEMS switch. Ultrananocrystalline diamond (UNCD (R)) (2-5 nm grains) and nanocrystalline diamond (NCD) (10-100 nm grains) films exhibit one of the highest Young's modulus (similar to 980-1100 GPa) and demonstrated MEMS resonators with the highest quality factor (Q >= 10,000 in air for NCD) today, they also exhibit the lowest force of adhesion among MEMS/NEMS materials (similar to 10 mJ/m(2)-close to van der Waals' attractive force for UNCD) demonstrated today. Finally, UNCD exhibits dielectric properties (fast discharge) superior to those of Si and SiO(2), as shown in this paper. Thus, UNCD and NCD films provide promising platform materials beyond Si for a new generation of important classes of high-performance MEMS/NEMS devices. C1 [Auciello, O.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Auciello, O (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. NR 16 TC 0 Z9 0 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8143-6 J9 P SOC PHOTO-OPT INS PY 2010 VL 7679 AR 76791K DI 10.1117/12.851491 PG 9 WC Nanoscience & Nanotechnology; Remote Sensing; Optics SC Science & Technology - Other Topics; Remote Sensing; Optics GA BSS26 UT WOS:000285623300044 ER PT S AU Kemme, SA Boye, RR Cruz-Cabrera, AA Briggs, RD Carter, TR Samora, S AF Kemme, S. A. Boye, R. R. Cruz-Cabrera, A. A. Briggs, R. D. Carter, T. R. Samora, S. BE George, T Islam, MS Dutta, AK TI Pixelated Spectral Filter for Integrated Focal Plane Array in the Long-Wave IR SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS II SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications II CY APR 05-09, 2010 CL Orlando, FL SP SPIE DE filter; array; multispectral; hyperspectral; subwavelength; gratings; Fabry-Perot; optical cavities; infrared AB We present the design, fabrication, and characterization of a pixelated, hyperspectral arrayed component for Focal Plane Array (FPA) integration in the Long-Wave IR. This device contains tens of pixels within a single super-pixel which is tiled across the extent of the FPA. Each spectral pixel maps to a single FPA pixel with a spectral FWHM of 200nm. With this arrayed approach, remote sensing data may be accumulated with a non-scanning, "snapshot" imaging system. This technology is flexible with respect to individual pixel center wavelength and to pixel position within the array. Moreover, the entire pixel area has a single wavelength response, not the integrated linear response of a graded cavity thickness design. These requirements bar tilted, linear array technologies where the cavity length monotonically increases across the device. C1 [Kemme, S. A.; Boye, R. R.; Cruz-Cabrera, A. A.; Briggs, R. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kemme, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 6 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8143-6 J9 P SOC PHOTO-OPT INS PY 2010 VL 7679 AR 76791P DI 10.1117/12.849756 PG 10 WC Nanoscience & Nanotechnology; Remote Sensing; Optics SC Science & Technology - Other Topics; Remote Sensing; Optics GA BSS26 UT WOS:000285623300048 ER PT S AU Myers, TL Phillips, MC Taubman, MS Bernacki, BE Schiffern, JT Cannon, BD AF Myers, Tanya L. Phillips, Mark C. Taubman, Matthew S. Bernacki, Bruce E. Schiffern, John T. Cannon, Bret D. BE George, T Islam, MS Dutta, AK TI Laser-based Sensors for Chemical Detection SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS II SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications II CY APR 05-09, 2010 CL Orlando, FL SP SPIE DE Infrared spectroscopy; quantum cascade laser; Herriott cell; chemical detection ID QUANTUM CASCADE LASER; SPECTROSCOPY; CELLS AB Stand-off detection of hazardous materials ensures that the responder is located at a safe distance from the suspected source. Remote detection and identification of hazardous materials can be accomplished using a highly sensitive and portable device, at significant distances downwind from the source or the threat. Optical sensing methods, in particular infrared absorption spectroscopy combined with quantum cascade lasers (QCLs), are highly suited for the detection of chemical substances since they enable rapid detection and are amenable for autonomous operation in a compact and rugged package. This talk will discuss the sensor systems developed at Pacific Northwest National Laboratory and will discuss the progress to reduce the size and power while maintaining sensitivity to enable stand-off detection of multiple chemicals. C1 [Myers, Tanya L.; Phillips, Mark C.; Taubman, Matthew S.; Bernacki, Bruce E.; Schiffern, John T.; Cannon, Bret D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Myers, TL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. NR 10 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8143-6 J9 P SOC PHOTO-OPT INS PY 2010 VL 7679 AR 76790F DI 10.1117/12.849323 PG 11 WC Nanoscience & Nanotechnology; Remote Sensing; Optics SC Science & Technology - Other Topics; Remote Sensing; Optics GA BSS26 UT WOS:000285623300012 ER PT J AU Rastogi, G Osman, S Vaishampayan, PA Andersen, GL Stetler, LD Sani, RK AF Rastogi, Gurdeep Osman, Shariff Vaishampayan, Parag A. Andersen, Gary L. Stetler, Larry D. Sani, Rajesh K. TI Microbial Diversity in Uranium Mining-Impacted Soils as Revealed by High-Density 16S Microarray and Clone Library SO MICROBIAL ECOLOGY LA English DT Article ID CONTAMINATED SUBSURFACE SEDIMENTS; HORIZONTAL GENE-TRANSFER; RIBOSOMAL-RNA; MILL TAILINGS; SOUTH-DAKOTA; BACTERIAL COMMUNITIES; MINE TAILINGS; REDUCTION; WASTE; BIOREMEDIATION AB Microbial diversity was characterized in mining-impacted soils collected from two abandoned uranium mine sites, the Edgemont and the North Cave Hills, South Dakota, using a high-density 16S microarray (PhyloChip) and clone libraries. Characterization of the elemental compositions of soils by X-ray fluorescence spectroscopy revealed higher metal contamination including uranium at the Edgemont than at the North Cave Hills mine site. Microarray data demonstrated extensive phylogenetic diversity in soils and confirmed nearly all clone-detected taxonomic levels. Additionally, the microarray exhibited greater diversity than clone libraries at each taxonomic level at both the mine sites. Interestingly, the PhyloChip detected the largest number of taxa in Proteobacteria phylum for both the mine sites. However, clone libraries detected Acidobacteria and Bacteroidetes as the most numerically abundant phyla in the Edgemont and North Cave Hills mine sites, respectively. Several 16S rDNA signatures found in both the microarrays and clone libraries displayed sequence similarities with yet-uncultured bacteria representing a hitherto unidentified diversity. Results from this study demonstrated that highly diverse microbial populations were present in these uranium mine sites. Diversity indices indicated that microbial communities at the North Cave Hills mine site were much more diverse than those at the Edgemont mine site. C1 [Rastogi, Gurdeep; Sani, Rajesh K.] S Dakota Sch Mines & Technol, Dept Chem & Biol Engn, Rapid City, SD 57701 USA. [Osman, Shariff; Andersen, Gary L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. [Vaishampayan, Parag A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Stetler, Larry D.] S Dakota Sch Mines & Technol, Dept Geol & Geol Engn, Rapid City, SD 57701 USA. RP Sani, RK (reprint author), S Dakota Sch Mines & Technol, Dept Chem & Biol Engn, Rapid City, SD 57701 USA. EM Rajesh.Sani@sdsmt.edu RI Andersen, Gary/G-2792-2015 OI Andersen, Gary/0000-0002-1618-9827 FU US Geological Survey [3F3482]; National Science Foundation [EAR-0742597, EEC-0502310]; Environmental Remediation Sciences Program (ERSP); US Department of Energy [DE-FG02-07-ER-64366, G125-08-W1577] FX The authors Gurdeep Rastogi and Rajesh Sani acknowledge the support provided by the US Geological Survey (subaward number 3F3482) and National Science Foundation (grant numbers EAR-0742597 and EEC-0502310). In addition, funding through the South Dakota Governor's 2010 seed grant program is gratefully acknowledged. The authors also acknowledge the financial support provided by the Environmental Remediation Sciences Program (ERSP) within the Office of Biological and Environmental Research, US Department of Energy (grant number DE-FG02-07-ER-64366 with subaward number G125-08-W1577). The authors thank Nicole Keegan for assisting in the sequencing of clones. The authors are grateful to Todd Z. DeSantis for useful discussion on using resources available through the Greengenes website (http://greengenes.lbl.gov/). We also would like to thank the anonymous reviewers whose critiques were instrumental in improving the quality of our manuscript. NR 54 TC 42 Z9 44 U1 1 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0095-3628 J9 MICROB ECOL JI Microb. Ecol. PD JAN PY 2010 VL 59 IS 1 BP 94 EP 108 DI 10.1007/s00248-009-9598-5 PG 15 WC Ecology; Marine & Freshwater Biology; Microbiology SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Microbiology GA 544UO UT WOS:000273685000009 PM 19888627 ER PT S AU Chinn, D AF Chinn, Douglas BE Hughes, MP Hoettges, KF TI Microfabrication Techniques for Biologists: A Primer on Building Micromachines SO MICROENGINEERING IN BIOTECHNOLOGY SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Fabrication; photolithography; photomask; etching; thin films AB In this chapter we review the fundamental techniques and processes underlying the fabrication of devices oil the micron scale (referred to as "microfabrication"). Principles laid down in the 1950s now form the basis of the semiconductor manufacturing industry; these principles are easily adaptable to the production of devices for biotechnological processing and analysis. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chinn, D (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 15 TC 0 Z9 0 U1 0 U2 3 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-58829-381-7 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2010 VL 583 BP 1 EP 53 DI 10.1007/978-1-60327-106-6_1 D2 10.1007/978-1-60327-106-6 PG 53 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Engineering, Biomedical SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Engineering GA BMG75 UT WOS:000272304100001 PM 19763458 ER PT J AU Patel, KD Perroud, TD AF Patel, Kamlesh D. Perroud, Thomas D. BA Kim, JS Ligler, FS BF Kim, JS Ligler, FS TI Miniaturized Sorters: Optical Micro Fluorescence Activated Cell Sorter SO MICROFLOW CYTOMETER LA English DT Article; Book Chapter ID TOTAL ANALYSIS SYSTEMS; ON-CHIP; CAPILLARY-ELECTROPHORESIS; MICROFLUIDIC DEVICES; BIOLOGICAL CELLS; MAMMALIAN-CELLS; MANIPULATION; FORCES; DIELECTROPHORESIS; SEPARATION AB We present an overview of optical cell sorting, based on optical tweezers, as a promising approach for developing micro fluorescence-activated cell sorting (mu FACS). Presented is a description of the principle behind optical trapping and cell sorting in microfluidic devices. We describe the configuration and operation of our group's optical mu FACS and compare its performance with other relevant designs. General limitations of optical sorting and novel strategies are presented, followed by a discussion on its future outlook. C1 [Patel, Kamlesh D.; Perroud, Thomas D.] Sandia Natl Labs, Dept Biosyst R&D, Livermore, CA 94551 USA. RP Patel, KD (reprint author), Sandia Natl Labs, Dept Biosyst R&D, POB 969, Livermore, CA 94551 USA. EM kdpatel@sandia.gov NR 86 TC 0 Z9 0 U1 2 U2 4 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81426-768-7 PY 2010 BP 221 EP 242 D2 452111763,12,1 PG 22 WC Biochemical Research Methods; Instruments & Instrumentation SC Biochemistry & Molecular Biology; Instruments & Instrumentation GA BUF58 UT WOS:000289145500015 ER PT J AU Chan, JW AF Chan, James W. BA Kim, JS Ligler, FS BF Kim, JS Ligler, FS TI Raman Spectroscopy: Label-Free Cell Analysis and Sorting SO MICROFLOW CYTOMETER LA English DT Article; Book Chapter ID SINGLE BACTERIAL-SPORES; EMBRYONIC STEM-CELLS; RED-BLOOD-CELLS; LASER TWEEZERS; OPTICAL TWEEZERS; SCATTERING MICROSCOPY; BIOCHEMICAL-CHANGES; AQUEOUS-SOLUTION; IDENTIFICATION; PARTICLES AB Quantitative, label-free biochemical analysis of single, living cells is a highly sought after modality in the biological sciences. While flow cytometry provides a variety of parameters for characterizing and sorting cells, it currently lacks a method for non-invasive and nondestructive chemical analysis. This chapter introduces Raman spectroscopy as a new component in flow cytometry for label-free analysis and sorting of living cells. While similar in principle to current fluorescence-based sorting systems in its design layout and operation, key differences between the Raman and fluorescence process necessitate research focused on developing novel optical and microfluidic schemes applicable for Raman analysis of cells. A particular emphasis must be placed on addressing the weak Raman signal intensity, which is a major obstacle to realizing a Raman sorting system. Although unlikely to rival current cytometers in its throughput, a Raman system could offer new capabilities such as sorting smaller populations for broad biological applications, especially when noninvasive, label-free analysis of living cells is a key requirement. This chapter will introduce the basic principles of Raman spectroscopy, the basic instrumentation, and both seminal and recent studies that have established the foundation for achieving Raman-activated flow cytometry. C1 [Chan, James W.] Univ Calif Davis, NSF Ctr Biophoton Sci & Technol, Sacramento, CA 95817 USA. [Chan, James W.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA USA. RP Chan, JW (reprint author), Univ Calif Davis, NSF Ctr Biophoton Sci & Technol, 2700 Stockton Blvd,Suite 1400, Sacramento, CA 95817 USA. EM chan19@llnl.gov NR 45 TC 0 Z9 0 U1 1 U2 3 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81426-768-7 PY 2010 BP 243 EP 261 D2 452111763,12,1 PG 19 WC Biochemical Research Methods; Instruments & Instrumentation SC Biochemistry & Molecular Biology; Instruments & Instrumentation GA BUF58 UT WOS:000289145500016 ER PT B AU Dzenitis, JM Makarewicz, AJ AF Dzenitis, John M. Makarewicz, Anthony J. BA Kim, JS Ligler, FS BF Kim, JS Ligler, FS TI The Autonomous Pathogen Detection System SO MICROFLOW CYTOMETER LA English DT Article; Book Chapter ID POLYMERASE-CHAIN-REACTION; STREAM WAVE-GUIDE; SEQUENTIAL INJECTION; BIOLOGICAL AGENTS; SCATTER; ARRAYS; THREAT; ASSAYS; MODULE; CHIP AB We developed, tested, and now operate a civilian biological defense capability that continuouslymonitors the air for biological threat agents. The Autonomous Pathogen Detection System (APDS) collects, prepares, reads, analyzes, and reports results of multiplexed immunoassays and multiplexed PCR assays using Luminex(C) xMAP technology and flow cytometer. The mission we conduct is particularly demanding: continuous monitoring, multiple threat agents, high sensitivity, challenging environments, and ultimately extremely low false positive rates. Here, we introduce the mission requirements and metrics, show the system engineering and analysis framework, and describe the progress to date including early development and current status. C1 [Dzenitis, John M.; Makarewicz, Anthony J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Dzenitis, JM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM john.m.dzenitis@llnl.gov NR 23 TC 1 Z9 1 U1 1 U2 2 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81426-768-7 PY 2010 BP 263 EP 286 D2 452111763,12,1 PG 24 WC Biochemical Research Methods; Instruments & Instrumentation SC Biochemistry & Molecular Biology; Instruments & Instrumentation GA BUF58 UT WOS:000289145500017 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Dimensionless Numbers in Microfluidics SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID EVAPORATION; DYNAMICS; FLOWS C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 27 TC 0 Z9 0 U1 0 U2 1 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 1 EP 16 PG 16 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000001 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Microflows SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID FLOW; VISCOSITY; RHEOLOGY; DYNAMICS; ALGINATE; SYSTEMS; DEVICES; CELLS C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 56 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 17 EP 72 PG 56 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000002 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Interfaces, Capillarity, and Microdrops SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID MORPHOLOGICAL TRANSITIONS; ROUGH SURFACES; WETTING MORPHOLOGIES; STRUCTURED SURFACES; FLOW; MICROSTRUCTURES; EMULSIFICATION; MICROCHANNELS; WETTABILITY; PRINCIPLES C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 46 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 73 EP 130 PG 58 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000003 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Digital, Two-Phase, and Droplet Microfluidics SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID CONTACT-ANGLE HYSTERESIS; ELECTROWETTING-BASED ACTUATION; POLYMER PARTICLES; LIQUID DROPLETS; FLOW-RATE; MICROCHANNELS; CHANNELS; PRESSURE; SYSTEMS; DEVICE C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 85 TC 0 Z9 0 U1 0 U2 1 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 131 EP 199 PG 69 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000004 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Diffusion of Biochemical Species SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID VOLUME; MODEL C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 24 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 201 EP 236 PG 36 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000005 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Transport of Biochemical Species and Cellular Microfluidics SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID DETERMINISTIC LATERAL DISPLACEMENT; LAMINAR-FLOW; SHEAR-FLOW; SEPARATION; FRACTIONATION; PARTICLES; DIFFUSION; CHANNELS; SPHERE; SUSPENSIONS C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 46 TC 0 Z9 0 U1 0 U2 1 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 237 EP 301 PG 65 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000006 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Biochemical Reactions in Biochips SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID SOLID-PHASE IMMUNOASSAYS; ANTIBODY-BINDING; KINETICS; DIFFUSION; BIOSENSOR; FLOW; ADSORPTION; TRANSPORT; SURFACE C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 33 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 303 EP 359 PG 57 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000007 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Experimental Approaches to Microparticles-Based Assays SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID MOLECULAR ADHESION; DNA; RESOLUTION; FORCE; CELLS; FLOW; MICROARRAYS; MICROSCOPY; BIOSENSORS; PROTEINS C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 47 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 361 EP 396 PG 36 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000008 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Magnetic Particles in Biotechnology SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID SEPARATION; FRACTIONATION; NANOPARTICLES; FERROFLUIDS; CAPTURE; FLUIDS; FORCE; FIELD; WIRE; DNA C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 32 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 397 EP 437 PG 41 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000009 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Micromanipulations and Separations Using Electric Fields SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Article; Book Chapter ID DNA-MOLECULES; DIELECTROPHORETIC BEHAVIOR; DIELECTRIC-PROPERTIES; COLLOIDAL PARTICLES; GEL-ELECTROPHORESIS; BROWNIAN PARTICLES; MOTION; CELLS; ELECTROROTATION; MANIPULATION C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 66 TC 0 Z9 0 U1 0 U2 1 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 439 EP 471 PG 33 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000010 ER PT B AU Berthier, J Silberzan, P AF Berthier, Jean Silberzan, Pascal BA Berthier, J Silberzan, P BF Berthier, J Silberzan, P TI Microfluidics for Biotechnology Second Edition Conclusion SO MICROFLUIDICS FOR BIOTECHNOLOGY, SECOND EDITION SE Artech House Integrated Microsystems Series LA English DT Editorial Material; Book Chapter C1 [Berthier, Jean] Univ Grenoble, Grenoble, France. [Berthier, Jean] Sandia Natl Labs, Livermore, CA 94550 USA. [Silberzan, Pascal] Phys Chim Curie Lab, Biol Inspired Phys Mesoscales Grp, Paris, France. [Silberzan, Pascal] Princeton Univ, Princeton, NJ 08544 USA. [Silberzan, Pascal] Cornell Univ, Ithaca, NY 14853 USA. [Silberzan, Pascal] Inst Curie, F-75231 Paris, France. [Berthier, Jean] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Silberzan, Pascal/L-5934-2016 OI Silberzan, Pascal/0000-0002-8554-882X NR 0 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-443-6 J9 ARTECH HSE INTEGR MI PY 2010 SI 2nd BP 473 EP 474 PG 2 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics GA BMR94 UT WOS:000273430000011 ER PT S AU Coleman, JJ Rowen, A Mani, SS Yelton, WG Arrington, C Gillen, R Hollowell, AE Okerlund, D Ionescu, A AF Coleman, Jonathan J. Rowen, Adam Mani, Seethambal S. Yelton, W. Graham Arrington, Christian Gillen, Rusty Hollowell, Andrew E. Okerlund, Daniel Ionescu, Adrian BE Maher, MA Chiao, JC Resnick, PJ TI Optimizing galvanic pulse plating parameters to improve indium bump to bump bonding SO MICROMACHINING AND MICROFABRICATION PROCESS TECHNOLOGY XV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micromachining and Microfabrication Process Technology XV CY JAN 26, 2010 CL San Francisco, CA SP SPIE DE Electrodeposition; ECD; Pulse; Bump bond; Indium; Electroplating; Electrochemistry AB The plating characteristics of a commercially available indium plating solution are examined and optimized to help meet the increasing performance demands of integrated circuits requiring substantial numbers of electrical interconnections over large areas. Current fabrication techniques rely on evaporation of soft metals, such as indium, into lift-off resist profiles. This becomes increasingly difficult to accomplish as pitches decrease and aspect ratios increase. To minimize pixel dimensions and maximize the number of pixels per unit area, lithography and electrochemical deposition (ECD) of indium has been investigated. Pulse ECD offers the capability of improving large area uniformity ideal for large area device hybridization. Electrochemical experimentation into lithographically patterned molds allow for large areas of bumps to be fabricated for low temperature indium to indium bonds. The galvanic pulse profile, in conjunction with the bath configuration, determines the uniformity of the plated array. This pulse is manipulated to produce optimal properties for hybridizing arrays of aligned and bonded indium bumps. The physical properties of the indium bump arrays are examined using a white light interferometer, a SEM and tensile pull testing. This paper provides details from the electroplating processes as well as conclusions leading to optimized plating conditions. C1 [Coleman, Jonathan J.; Rowen, Adam; Mani, Seethambal S.; Yelton, W. Graham; Arrington, Christian; Gillen, Rusty; Hollowell, Andrew E.] Sandia Natl Labs, Albuquerque, NM USA. RP Coleman, JJ (reprint author), Sandia Natl Labs, 1515 Eubank Blvd, Albuquerque, NM USA. NR 5 TC 2 Z9 2 U1 2 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7986-0 J9 PROC SPIE PY 2010 VL 7590 AR 75900F DI 10.1117/12.842569 PG 11 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BSG24 UT WOS:000284358900011 ER PT S AU Rowen, A Hollowell, AE Wanke, M Nordquist, CD Arrington, C Gillena, R Coleman, JJ AF Rowen, Adam Hollowell, Andrew E. Wanke, Michael Nordquist, Christopher D. Arrington, Christian Gillena, Rusty Coleman, Jonathan J. BE Maher, MA Chiao, JC Resnick, PJ TI Multi-layer metal micromachining for THz waveguide fabrication SO MICROMACHINING AND MICROFABRICATION PROCESS TECHNOLOGY XV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micromachining and Microfabrication Process Technology XV CY JAN 26, 2010 CL San Francisco, CA SP SPIE DE Multi-layer; metal; micromachining; three dimensional; THz; rectangular waveguide; quantum cascade laser; electrochemical deposition; plating; electroplating ID QUANTUM-CASCADE LASERS AB Thick multi-layer metal stacking offers the potential for fabrication of rectangular waveguide components, including horn antennas, couplers, and bends, for operation at terahertz frequencies, which are too small to machine traditionally. Air-filled, TE10, rectangular waveguides for 3 THz operation were fabricated using two stacked electroplated gold layers on both planar and non-planar substrates. The initial layer of lithography and electroplating defined 37 micrometer tall waveguide walls in both straight and meandering geometries. The second layer, processed on top of the first, defined 33 micrometer thick waveguide lids. Release holes periodically spaced along the center of the lids improved resist clearing from inside of the electroformed rectangular channels. Processing tests of hollow structures on optically clear, lithium disilicate substrates allowed confirmation of resist removal by backside inspection. C1 [Rowen, Adam; Hollowell, Andrew E.; Wanke, Michael; Nordquist, Christopher D.; Coleman, Jonathan J.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Rowen, A (reprint author), Sandia Natl Labs, 1515 Eubank BLVD, Albuquerque, NM 87123 USA. NR 11 TC 0 Z9 0 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7986-0 J9 PROC SPIE PY 2010 VL 7590 AR 759009 DI 10.1117/12.840247 PG 12 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BSG24 UT WOS:000284358900006 ER PT J AU Buck, EC Douglas, M Wittman, RS AF Buck, Edgar C. Douglas, Matt Wittman, Rick S. TI Verifying the presence of low levels of neptunium in a uranium matrix with electron energy-loss spectroscopy SO MICRON LA English DT Review DE EELS; Neptunium; Uranium; Spectroscopy; Actinides; Uranophane ID SPENT NUCLEAR-FUEL; URANYL PHASES; CORROSION; URANOPHANE; MECHANISMS; EELS AB This paper examines the problems associated with analysis of low levels of neptunium in a uranium matrix with electron energy-loss spectroscopy (EELS) on the transmission electron microscope (TEM). The detection of neptunium in a matrix of uranium can be impeded by the occurrence of a plural scattering event from uranium (U-M(5) + U-O(4.5)) that results in severe overlap on the NP-M(5) edge at 3665 eV. Low levels of Np (1600-6300 ppm) can be detected in a uranium solid, uranophane [Ca(UO(2))(2)(SiO(3)OH)(2)(H(2)O)(5)], by confirming that the energy gap between the Np-M(5) and NP-M(4) edges is at 184 eV and showing that the M(4)/M(5) ratio for the neptunium is smaller than that for uranium. The Richardson-Lucy deconvolution method was applied to energy-loss spectral images and was shown to increase the signal to noise ratio. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Buck, Edgar C.; Douglas, Matt; Wittman, Rick S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Buck, EC (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MS P7-27, Richland, WA 99352 USA. EM edgar.buck@pnl.gov RI Buck, Edgar/D-4288-2009; Buck, Edgar/N-7820-2013; OI Buck, Edgar/0000-0001-5101-9084; Douglas, Matthew/0000-0001-9708-1780 FU Department of Energy (DOE), Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory [DE-AC05-76RL01830] FX Multiple scattering calculations were adapted from communications on this matter between R.J. Finch (Argonne National Laboratory) and R.F. Egerton. The transmission electron microscopy work was performed at the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy (DOE), Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 19 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 0968-4328 J9 MICRON JI Micron PD JAN PY 2010 VL 41 IS 1 BP 65 EP 70 DI 10.1016/j.micron.2009.08.007 PG 6 WC Microscopy SC Microscopy GA 523QQ UT WOS:000272089800010 PM 19819708 ER PT B AU Kemme, SA Cruz-Cabrera, AA AF Kemme, Shanalyn A. Cruz-Cabrera, Alvaro A. BE Kemme, SA TI Fabricating Surface-Relief Diffractive Optical Elements SO MICROOPTICS AND NANOOPTICS FABRICATION LA English DT Article; Book Chapter C1 [Kemme, Shanalyn A.; Cruz-Cabrera, Alvaro A.] Sandia Natl Labs, Photon Microsyst Technol, Albuquerque, NM 87185 USA. RP Kemme, SA (reprint author), Sandia Natl Labs, Photon Microsyst Technol, POB 5800, Albuquerque, NM 87185 USA. NR 10 TC 1 Z9 1 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-1914-8; 978-0-8493-3676-8 PY 2010 BP 1 EP 38 PG 38 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6DS UT WOS:000353825000002 ER PT B AU Kemme, SA AF Kemme, Shanalyn A. BE Kemme, SA TI Microoptics Nanooptics and FABRICATION Preface SO MICROOPTICS AND NANOOPTICS FABRICATION LA English DT Editorial Material; Book Chapter C1 Sandia Natl Labs, Photon Microsyst Technol, Albuquerque, NM 87185 USA. RP Kemme, SA (reprint author), Sandia Natl Labs, Photon Microsyst Technol, POB 5800, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-1914-8; 978-0-8493-3676-8 PY 2010 BP IX EP X PG 2 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6DS UT WOS:000353825000001 ER PT B AU Gin, A Wendt, JR AF Gin, Aaron Wendt, Joel R. BE Kemme, SA TI Electron Beam Lithography for the Nanofabrication of Optical Devices SO MICROOPTICS AND NANOOPTICS FABRICATION LA English DT Article; Book Chapter ID FUSED-SILICA; FABRICATION; SUBWAVELENGTH; SYSTEMS; RESIST; LASER; WET C1 [Gin, Aaron; Wendt, Joel R.] Sandia Natl Labs, Photon Microsyst Technol, Albuquerque, NM 87185 USA. [Gin, Aaron] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87185 USA. RP Gin, A (reprint author), Sandia Natl Labs, Photon Microsyst Technol, POB 5800, Albuquerque, NM 87185 USA. NR 42 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-1914-8; 978-0-8493-3676-8 PY 2010 BP 109 EP 126 PG 18 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6DS UT WOS:000353825000005 ER PT B AU Resnick, PJ El-Kady, IF AF Resnick, Paul J. El-Kady, Ihab F. BE Kemme, SA TI Fabrication of 3D Photonic Crystals: Molded Tungsten Approach SO MICROOPTICS AND NANOOPTICS FABRICATION LA English DT Article; Book Chapter ID BAND-GAP; STOP BANDS C1 [Resnick, Paul J.] Sandia Natl Labs, MEMS Core Technol, Albuquerque, NM 87185 USA. [El-Kady, Ihab F.] Sandia Natl Labs, Photon Microsyst Technol, Albuquerque, NM 87185 USA. RP Resnick, PJ (reprint author), Sandia Natl Labs, MEMS Core Technol, POB 5800, Albuquerque, NM 87185 USA. NR 24 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-1914-8; 978-0-8493-3676-8 PY 2010 BP 191 EP 211 PG 21 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6DS UT WOS:000353825000008 ER PT S AU Nogales, E Ramey, VH Wang, HW AF Nogales, Eva Ramey, Vincent H. Wang, Hong-Wei BE Wilson, L Correia, JJ TI Cryo-EM Studies of Microtubule Structural Intermediates and Kinetochore Microtubule Interactions SO MICROTUBULES, IN VITRO: MICROTUBULES, IN VITRO SE Methods in Cell Biology LA English DT Review; Book Chapter ID ALPHA-BETA-TUBULIN; MITOTIC SPINDLE INTEGRITY; STATHMIN-LIKE DOMAIN; RING COMPLEX; 3-DIMENSIONAL STRUCTURE; MOLECULAR ARCHITECTURE; DUO1P/DAM1P COMPLEX; HELICAL STRUCTURES; CONTRAST TRANSFER; GAMMA-TUBULIN AB The existence of structural intermediates in the processes of microtubule assembly and disassembly, and their relationship with the nucleotide state of tubulin, have been the subject of significant study and recent controversy. The first part of this chapter describes experiments and methods designed to characterize, using cryo-electron microscopy (cryo-EM) and image analysis, the structure of stabilized tubulin assemblies that we propose mimic the growth and shortening states at microtubule ends. We further put forward the idea that these intermediates have important biological functions, especially during cellular processes where the dynamic character of microtubules is essential. One such process is the attachment of spindle microtubules to kinetochores in eukaryotic cell division. The second part of this chapter is consequently dedicated to studies of the yeast Dam1 kinetochore complex and its interaction with microtubules. This complex is essential for accurate chromosome segregation and is an important target of the Aurora B spindle checkpoint kinase. The Dam1 complex self-assembles in a microtubule-dependent manner into rings and spirals. The rings are able to track microtubule-depolymerizing ends against a load and in a highly processive manner, an essential property for their function in vivo. We describe the experimental in vitro protocols to produce biologically relevant self-assembled structures of Dam1 around microtubules and their structural characterization by cryo-EM. C1 [Nogales, Eva] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Nogales, Eva; Ramey, Vincent H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Ramey, Vincent H.] Univ Calif Berkeley, Biophys Grad Program, Berkeley, CA 94720 USA. [Wang, Hong-Wei] Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA. RP Nogales, E (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. FU Howard Hughes Medical Institute; NIGMS NIH HHS [P01 GM051487] NR 78 TC 2 Z9 2 U1 0 U2 9 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0091-679X BN 978-0-12-374815-7 J9 METHOD CELL BIOL JI Methods Cell Biol. PY 2010 VL 95 BP 129 EP 156 DI 10.1016/S0091-679X(10)95008-5 PG 28 WC Cell Biology SC Cell Biology GA BPF84 UT WOS:000278776500008 PM 20466133 ER PT S AU Van Leeuwen, B Urias, V Eldridge, J Villamarin, C Olsberg, R AF Van Leeuwen, Brian Urias, Vincent Eldridge, John Villamarin, Charles Olsberg, Ron GP IEEE TI PERFORMING CYBER SECURITY ANALYSIS USING A LIVE, VIRTUAL, AND CONSTRUCTIVE (LVC) TESTBED SO MILITARY COMMUNICATIONS CONFERENCE, 2010 (MILCOM 2010) SE IEEE Military Communications Conference LA English DT Proceedings Paper CT MILCOM Military Communications Conference CY OCT 31-NOV 03, 2010 CL San Jose, CA AB Cyber security analysis tools are necessary to evaluate the security, reliability, and resilience of networked information systems against cyber attack. It is common practice in modern cyber security analysis to separately utilize real systems computers, routers, switches, firewalls, computer emulations (e. g., virtual machines) and simulation models to analyze the interplay between cyber threats and safeguards. In contrast, Sandia National Laboratories has developed new methods to combine these evaluation platforms into a cyber Live, Virtual, and Constructive (LVC) testbed. The combination of real, emulated, and simulated components enables the analysis of security features and components of a networked information system. When performing cyber security analysis on a target system, it is critical to represent realistically the subject security components in high fidelity. In some experiments, the security component may be the actual hardware and software with all the surrounding components represented in simulation or with surrogate devices. Sandia National Laboratories has developed a cyber LVC testbed that combines modeling and simulation capabilities with virtual machines and real devices to represent, in varying fidelity, secure networked information system architectures and devices. Using this capability, secure networked information system architectures can be represented in our testbed on a single computing platform. This provides an "experiment-in-a-box" capability. The result is rapidly produced, large scale, relatively low-cost, multi-fidelity representations of networked information systems. These representations enable analysts to quickly investigate cyber threats and test protection approaches and configurations. C1 [Van Leeuwen, Brian; Urias, Vincent; Eldridge, John; Villamarin, Charles; Olsberg, Ron] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Van Leeuwen, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bpvanle@sandia.gov; veuria@sandia.gov; jmeldri@sandia.gov; chvilla@sandia.gov; rrolsbe@sandia.gov NR 7 TC 3 Z9 3 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2155-7578 BN 978-1-4244-8180-4 J9 IEEE MILIT COMMUN C PY 2010 BP 1806 EP 1811 DI 10.1109/MILCOM.2010.5679522 PG 6 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BTQ21 UT WOS:000287747200286 ER PT J AU Marland, ES Stellar, K Marland, GH AF Marland, Eric S. Stellar, Kirk Marland, Gregg H. TI A distributed approach to accounting for carbon in wood products SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Article DE Carbon in wood products; Carbon sequestration; Carbon accounting; CO(2) emissions ID SEQUESTRATION; INVENTORIES AB With an evolving political environment of commitments to limit emissions of greenhouse gases, and of markets to trade in emissions permits, there is growing scientific, political, and economic need to accurately evaluate carbon (C) stocks and flows-especially those related to human activities. One component of the global carbon cycle that has been contentious is the stock of carbon that is physically held in harvested wood products. The carbon stored in wood products has been sometimes overlooked, but the amount of carbon contained in wood products is not trivial, it is increasing with time, and it is significant to some Parties. This paper is concerned with accurate treatment of harvested wood products in inventories of CO(2) emissions to the atmosphere. The methodologies outlined demonstrate a flexible way to expand current methods beyond the assumption of a simple, first-order decay to include the use of more accurate and detailed data while retaining the simplicity of simple formulas. The paper demonstrates that a more accurate representation of decay time can have significant economic implications in a system where emissions are taxed or emissions permits are traded. The method can be easily applied using only data on annual production of wood products and two parameters to characterize their expected lifetime. These methods are not specific to wood products but can be applied to long-lived, carbon-containing products from sources other than wood, e. g. long-lived petrochemical products. A single unifying approach that is both simple and flexible has the potential to be both more accurate in its results, more efficient in its implementation, and economically important to some Parties. C1 [Marland, Eric S.; Stellar, Kirk] Appalachian State Univ, Dept Math Sci, Boone, NC 28608 USA. [Marland, Gregg H.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Marland, ES (reprint author), Appalachian State Univ, Dept Math Sci, Boone, NC 28608 USA. EM marlandes@appstate.edu FU Office of Science, Biological and Environmental Research, US Department of Energy FX The authors are grateful to Kim Pingoud, Ken Skog, and Fabian Wagner for helpful comments on earlier drafts of this paper. GM was supported by the Office of Science, Biological and Environmental Research, US Department of Energy. NR 25 TC 16 Z9 17 U1 2 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD JAN PY 2010 VL 15 IS 1 BP 71 EP 91 DI 10.1007/s11027-009-9205-6 PG 21 WC Environmental Sciences SC Environmental Sciences & Ecology GA 659GH UT WOS:000282554500005 ER PT B AU Wang, M Kang, QJ Viswanathan, H AF Wang, Moran Kang, Qinjun Viswanathan, Hari GP ASME TI Electroosmosis of Dilute Electrolyte Solutions in Microporous Media SO MNHMT2009, VOL 1 LA English DT Proceedings Paper CT ASME Micro/Nanoscale Heat and Mass Transfer International Conference CY DEC 18-21, 2009 CL Shanghai, PEOPLES R CHINA SP ASME Nanotechnol Inst ID POISSON-BOLTZMANN EQUATION; HIGH ZETA-POTENTIALS; POROUS-MEDIA; FLOW; MICROCHANNELS; MICROSPHERES; SIMULATIONS; TRANSPORT; CLAYS; MODEL AB The multiphysiochemical transport in electroosmosis of dilute electrolyte solutions (<1mM) through microporous media with granular random structures has been modeled in this work by our numerical framework consisting of three steps. First, the three-dimensional microstructures of porous media are reproduced by a random generation-growth method. Then the effects of chemical adsorption and electrical dissociation at the solid-liquid interfaces are considered to determine the electrical boundary conditions, which vary with the ionic concentration, the pH, and the temperature. Finally the nonlinear governing equations for the electrokinetic transport are solved by a highly efficient lattice Poisson-Boltzmann algorithm. The simulation results indicate that the electroosmotic permeability through the granular microporous media increases monotonically with the porosity, the ionic concentration, the pH and the environmental temperature. When the surface electric potential is higher than 50 mV, the permeability increases with the electric potential exponentially. The electroosmotic permeability increases with the pH exponentially, but with the temperature linearly. The present modeling results may improve our understanding of hydrodynamic and electrokinetic transport in geophysical systems, and help guide the design of porous electrodes in micro energy systems. C1 [Wang, Moran; Kang, Qinjun; Viswanathan, Hari] Los Alamos Natl Lab, EES 16, Los Alamos, NM 87545 USA. RP Wang, M (reprint author), Los Alamos Natl Lab, EES 16, Los Alamos, NM 87545 USA. NR 42 TC 0 Z9 0 U1 1 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4389-5 PY 2010 BP 195 EP 202 PG 8 WC Engineering, Mechanical SC Engineering GA BRH68 UT WOS:000282724000027 ER PT B AU Han, ZH Yang, B Liu, YY AF Han, Zenghu Yang, Bao Liu, Yung Y. GP ASME TI Phase-Change Nanofluids with Enhanced Thermophysical Properties SO MNHMT2009, VOL 1 LA English DT Proceedings Paper CT ASME Micro/Nanoscale Heat and Mass Transfer International Conference CY DEC 18-21, 2009 CL Shanghai, PEOPLES R CHINA SP ASME Nanotech Inst DE Nanofluids; Phase Change; Thermophysical; Thermal Conductivity; Heat Capacity ID THERMAL-CONDUCTIVITY; BROWNIAN-MOTION; PARTICLES; NANOPARTICLES; SUSPENSIONS; FLOW AB The colloidal dispersion of solid nanoparticles (1-100nm) has been shown experimentally to be an effective way to enhance the thermal conductivity of heat transfer fluids. Moreover, large particles (micrometers to tens of micrometers) of phase-change materials have long been used to make slurries with improved thermal storage capacity. Here, a hybrid concept that uses nanoparticles made of phase-change materials is proposed to simultaneously enhance the effective thermal conductivity and the effective heat capacity of fluids. Water-in-perfluorohexane nanoemulsion fluids and indium-in-polyalphaolefin nanofluids are examples of fluids that have been successfully synthesized for experimental studies of their thermophysical properties (i.e., thermal conductivity, viscosity, and heat capacity) as functions of particle loading and temperature. The thermal conductivity of perfluorohexane was found to increase by up to 52% for nanoemulsion fluids containing 12 vol. % water nanodroplets with a hydrodynamic radius of similar to 10 nm. Also observed in water-in-perfluorohexane nanoemulsion fluids was a remarkable improvement in effective heat capacity, about 126% for 12 vol. % water loading, due to the melting-freezing transitions of water nanodroplets to ice nanoparticles and vice versa. The increases in the thermal conductivity and dynamic viscosity of these nanoemulsion fluids were found to be highly nonlinear against water loading, indicating the important roles of the hydrodynamic interaction and the aggregation of nanodroplets. For indium-in-polyalphaolefin nanofluids, the thermal conductivity enhancement increases slightly with increasing temperature (i.e., about 10.7% at 30 degrees C to 12.9% at 90 degrees C) with a nanoparticle loading of 8 vol. %. The effective volumetric heat capacity can be increased by about 20% for the nanofluids containing 8 vol. % indium nanoparticles with an average diameter of 20 nm. Such types of phase-change nanoemulsions and nanofluids possess long-term stability and can be mass produced without using as-prepared nanoparticles. The observed melting-freezing phase transitions of nanoparticles of phase-change materials (i.e., water nanodroplets and indium nanoparticles) considerably augmented the effective heat capacity of the base fluids. The use of phase-change nanoparticles would thus provide a way to substantially enhance the thermal transport properties of conventional heat transfer fluids. Future development of these phase-change nanofluids is expected to open new opportunities for studies of thermal fluids. C1 [Han, Zenghu; Liu, Yung Y.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Han, ZH (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 17 TC 0 Z9 0 U1 2 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4389-5 PY 2010 BP 441 EP 447 PG 7 WC Engineering, Mechanical SC Engineering GA BRH68 UT WOS:000282724000061 ER PT J AU Ma, CYT Yau, DKY Yip, NK Rao, NSV AF Ma, Chris Y. T. Yau, David K. Y. Yip, Nung Kwan Rao, Nageswara S. V. GP ACM TI Privacy Vulnerability of Published Anonymous Mobility Traces SO MOBICOM 10 & MOBIHOC 10: PROCEEDINGS OF THE 16TH ANNUAL INTERNATIONAL CONFERENCE ON MOBILE COMPUTING AND NETWORKING AND THE 11TH ACM INTERNATIONAL SYMPOSIUM ON MOBILE AD HOC NETWORKING AND COMPUTING LA English DT Proceedings Paper CT 16th Annual International Conference on Mobile Computing and Networking / 11th ACM International Symposium on Mobile Ad Hoc Networking and Computing (MobiCom/MobiHoc) CY SEP 20-24, 2010 CL Chicago, IL SP Assoc Comp Machinery, SIGMOBILE DE Location Privacy; Entropy AB Mobility traces of people and vehicles have been collected and published to assist the design and evaluation of mobile networks, such as large-scale urban sensing networks. Although the published traces are often made anonymous in that the true identities of nodes are replaced by random identifiers, the privacy concern remains. This is because in real life, nodes are open to observations in public spaces, or they may voluntarily or inadvertently disclose partial knowledge of their whereabouts. Thus, snapshots of nodes' location information can be learned by interested third parties, e.g., directly through chance/engineered meetings between the nodes and their observers, or indirectly through casual conversations or other information sources about people. In this paper, we investigate how an adversary, when equipped with a small amount of the snapshot information termed as side information, can infer an extended view of the whereabouts of a victim node appearing in an anonymous trace. Our results quantify the loss of victim nodes' privacy as a function of the nodal mobility (captured in both real and synthetic traces), the inference strategies of adversaries, and any noise that may appear in the trace or the side information. Generally, our results indicate that the privacy concern is significant in that a relatively small amount of side information is sufficient for the adversary to infer the true identity (either uniquely or with high probability) of a victim in a set of anonymous traces. C1 [Ma, Chris Y. T.; Yau, David K. Y.; Yip, Nung Kwan] Purdue Univ, W Lafayette, IN 47907 USA. [Yau, David K. Y.] Adv Digital Sci Ctr, Illinois, Singapore. [Rao, Nageswara S. V.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Ma, CYT (reprint author), Purdue Univ, W Lafayette, IN 47907 USA. EM ma18@cs.purdue.edu; yau@cs.purdue.edu; yip@math.purdue.edu; raons@ornl.gov OI Rao, Nageswara/0000-0002-3408-5941 FU U.S. Department of Energy under SensorNet [AC05- 00OR22725]; U.S. National Science Foundation [CNS- 0964086, CNS- 0963715, DMS- 0707926]; Bilsland Dissertation Fellowship FX Research was supported in part by U.S. Department of Energy under SensorNet grant number AC05- 00OR22725 and Mathematics of Complex, Distributed, Interconnected Systems program, Office of Advanced Computing Research, in part by U.S. National Science Foundation under grant numbers CNS- 0964086, CNS- 0963715, and DMS- 0707926, and in part by Bilsland Dissertation Fellowship awarded to C. Ma. NR 23 TC 7 Z9 7 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-0182-4 PY 2010 BP 185 EP 196 PG 12 WC Telecommunications SC Telecommunications GA BA1QA UT WOS:000332847500017 ER PT B AU Stamenkovic, VR Markovic, NM AF Stamenkovic, Vojislav R. Markovic, Nenad M. BE Rioux, RM TI Catalysis at Bimetallic Electrochemical Interfaces SO MODEL SYSTEMS IN CATALYSIS: SINGLE CRYSTALS TO SUPPORTED ENZYME MIMICS LA English DT Article; Book Chapter ID X-RAY-DIFFRACTION; ELECTROLYTIC HYDROGEN EVOLUTION; OXYGEN REDUCTION REACTION; LOW-PRESSURE OXIDATION; ENERGY ION-SCATTERING; ALLOY SURFACES; PD FILMS; ELECTRONIC-STRUCTURE; PLATINUM-MONOLAYER; METAL-SURFACES AB The need to understand the key structure/composition relationships governing the electrocatalytic behavior of metal surfaces continues to motivate fundamental studies of surface processes at the solid-liquid interfaces. Although the field is still in its infancy, a great deal is already known and trends are beginning to emerge that give new insight into the true relationship between the surface structure/composition and electrocatalytic activity. In this chapter, we will describe how by systematic variation of surface crystallography and/or surface composition of bimetallic surfaces, very important electrocatalytic trends are delineated. Structure/composition-function relationships are established by utilizing in situ surface-sensitive probes and vibrational spectroscopy, which in combination with ex situ ultrahigh vacuum (UHV) techniques and classical electrochemical methods, provide a link between the macroscopic kinetic rate of the reaction and the microscopic properties at the electrified metal-solution interface. The preponderance of electrocatalytic reactions discussed in this chapter are those related to the development of polymer electrolyte membrane fuel cell technology, viz. the oxygen reduction reaction, hydrogen reaction, and oxidation of CO W We demonstrate that the ability to make a controlled and well-characterized arrangement of atoms on the surface and/or the near-surface region, heralds a new era of advances in our knowledge of electrochemical reactions. C1 [Stamenkovic, Vojislav R.; Markovic, Nenad M.] Univ Chicago, Argonne Natl Lab, Argonne, IL 60439 USA. RP Markovic, NM (reprint author), Univ Chicago, Argonne Natl Lab, Argonne, IL 60439 USA. EM nmarkovic@anl.gov NR 86 TC 1 Z9 1 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-98041-6 PY 2010 BP 51 EP 73 DI 10.1007/978-0-387-98049-2_3 D2 10.1007/978-0-387-98049-2 PG 23 WC Engineering, Chemical SC Engineering GA BMI00 UT WOS:000272417200003 ER PT B AU Rodriguez, JA Vines, F Liu, P Illas, F AF Rodriguez, Jose A. Vines, Francesc Liu, Ping Illas, Francesc BE Rioux, RM TI Role of C and P Sites on the Chemical Activity of Metal Carbides and Phosphides: From Clusters to Single-Crystal Surfaces SO MODEL SYSTEMS IN CATALYSIS: SINGLE CRYSTALS TO SUPPORTED ENZYME MIMICS LA English DT Article; Book Chapter ID MOLYBDENUM CARBIDE; TUNGSTEN CARBIDE; ATOMIC OXYGEN; CATALYSTS; PHOTOEMISSION; ADSORPTION; THIOPHENE; HYDRODESULFURIZATION; DESULFURIZATION; NANOPARTICLES AB Transition metal carbides and phosphides have shown tremendous potential as highly active catalysts. At a microscopic level, it is not well understood how these new catalysts work. Their high activity is usually attributed to ligand or/and ensemble effects. Here, we review recent studies that examine the chemical activity of metal carbides and phosphides as a function of size, from clusters to extended surfaces, and metal/carbon or metal/phosphorous ratio. These studies reveal that the C and P sites in these compounds cannot be considered as simple spectators. They moderate the reactivity of the metal centers and provide bonding sites for adsorbates. C1 [Rodriguez, Jose A.; Liu, Ping] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Vines, Francesc; Illas, Francesc] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM rodrigez@bnl.gov OI Illas, Francesc /0000-0003-2104-6123; Vines, Francesc/0000-0001-9987-8654 NR 36 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-98041-6 PY 2010 BP 117 EP 132 DI 10.1007/978-0-387-98049-2_6 D2 10.1007/978-0-387-98049-2 PG 16 WC Engineering, Chemical SC Engineering GA BMI00 UT WOS:000272417200006 ER PT B AU Nilsson, A Pettersson, LGM AF Nilsson, Anders Pettersson, Lars Gunnar Moody BE Rioux, RM TI Chemical Bonding on Metal Surfaces SO MODEL SYSTEMS IN CATALYSIS: SINGLE CRYSTALS TO SUPPORTED ENZYME MIMICS LA English DT Article; Book Chapter ID RAY-EMISSION-SPECTROSCOPY; DENSITY-FUNCTIONAL THEORY; CORE-LEVEL SPECTROSCOPY; ELECTRONIC-STRUCTURE; TRANSITION-METAL; CARBON-MONOXIDE; CHEMISORBED CO; ADSORBATES; ETHYLENE; NI(100) AB X-ray spectroscopy provides a number of experimental techniques that give an atom-specific projection of the electronic structure. When applied to surface adsorbates in combination with theoretical density functional spectrum simulations, it becomes an extremely powerful tool to analyze in detail the surface chemical bond. This is of great relevance to heterogeneous catalysis as discussed in depth for a number of example systems taken from the five categories of bonding types: (i) atomic radical, (ii) diatomics with unsaturated pi-systems (Blyholder model), (iii) unsaturated hydrocarbons (Dewar-Chatt-Duncanson model), (iv) lone-pair interactions, and (v) saturated hydrocarbons (physisorption). C1 [Nilsson, Anders] Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. [Nilsson, Anders] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Pettersson, Lars Gunnar Moody] Stockholm Univ, Albanova Univ Ctr, FYSIKUM, S-10691 Stockholm, Sweden. RP Nilsson, A (reprint author), Stanford Synchrotron Radiat Lab, POB 20450, Stanford, CA 94309 USA. EM nilsson@slac.stanford.edu RI Pettersson, Lars/J-4925-2013 OI Pettersson, Lars/0000-0003-1133-9934 NR 56 TC 2 Z9 2 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-98041-6 PY 2010 BP 253 EP 274 DI 10.1007/978-0-387-98049-2_12 D2 10.1007/978-0-387-98049-2 PG 22 WC Engineering, Chemical SC Engineering GA BMI00 UT WOS:000272417200012 ER PT B AU Meyer, R Lei, Y Lee, S Vajda, S AF Meyer, Randall Lei, Yu Lee, Sungsik Vajda, Stefan BE Rioux, RM TI Catalysis by Supported Size-Selected Clusters SO MODEL SYSTEMS IN CATALYSIS: SINGLE CRYSTALS TO SUPPORTED ENZYME MIMICS LA English DT Article; Book Chapter ID MONODISPERSED PLATINUM CLUSTERS; TRANSITION-METAL CLUSTERS; GAS AGGREGATION SOURCE; ION-BEAM DEPOSITION; MODEL CATALYSTS; CARBON-MONOXIDE; CO OXIDATION; ACETYLENE CYCLOTRIMERIZATION; GOLD CLUSTERS; HYDRAZINE DECOMPOSITION AB The use of size-selected metal clusters as model catalysts opens up many exciting new possibilities for the study of size-dependent catalysis. By supporting these size-selected clusters on planar thin-film or single-crystal metal oxide substrates, a variety of analysis techniques can be employed to examine them in detail in an effort to understand how and why these clusters exhibit unique reactivity. In this review, we focus on examples involving CO oxidation by gold clusters, NO reduction and the cycloisomerization of acetylene with Pd clusters, and hydrazine decomposition over Ir clusters. We conclude with some thoughts about in situ reaction probes and the potential of atom-by-atom design of bimetallic clusters with regard to size and composition. C1 [Meyer, Randall; Lei, Yu] Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. [Lei, Yu; Lee, Sungsik] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Vajda, Stefan] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Vajda, Stefan] Yale Univ, Dept Chem Engn, New Haven, CT 06520 USA. RP Meyer, R (reprint author), Univ Illinois, Dept Chem Engn, 810 S Clinton, Chicago, IL 60607 USA. EM rjm@uic.edu NR 94 TC 1 Z9 1 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-98041-6 PY 2010 BP 345 EP 365 DI 10.1007/978-0-387-98049-2_16 D2 10.1007/978-0-387-98049-2 PG 21 WC Engineering, Chemical SC Engineering GA BMI00 UT WOS:000272417200016 ER PT J AU LaBrosse, MR Chen, L Johnson, JK AF LaBrosse, Matthew R. Chen, Liang Johnson, J. Karl TI First principles study of vacancy and tungsten diffusion in fcc cobalt SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; ULTRASOFT PSEUDOPOTENTIALS; MEDIATED DIFFUSION; SELF-DIFFUSION; BASIS-SET; WC-CO; METALS; MICROWAVE AB We have studied the energetics of vacancy formation and diffusion in fcc cobalt using periodic density functional theory, both with and without including the surface intrinsic error corrections. Aggregation of vacancies is found to be energetically favorable. The vacancy formation energies, with (without) corrections, are computed to be 2.34 (1.71) eV for an isolated vacancy and 2.28-1.92 (1.65-1.29) eV per vacancy for two to six coalesced vacancies, respectively. The corrected (uncorrected) diffusion barrier of an isolated vacancy is 1.19 (0.98) eV. We have found that vacancy formation energies are over-predicted for Co, Fe and Ni when surface intrinsic error corrections are applied. We have also studied substitutional tungsten diffusion in Co. We have identified two sequential vacancy-mediated W diffusion mechanisms in Co. Corrected (uncorrected) energy barriers for the steps in these mechanisms lie in the range 1.09-1.44 (0.88-1.23) eV. C1 [LaBrosse, Matthew R.; Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [LaBrosse, Matthew R.; Johnson, J. Karl] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Chen, Liang] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Zhejiang, Peoples R China. RP LaBrosse, MR (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM karlj@pitt.edu RI Chen, Liang/B-3418-2008; Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 FU National Energy Technology Laboratory's [DE-AC26-04NT41817] FX The authors thank Duane Johnson, Frederick Pettit, David Sholl and Dan Sorescu for helpful discussions. This work was performed in support of the National Energy Technology Laboratory's ongoing research in the area of computational chemistry under the RDS contract DE-AC26-04NT41817. NR 49 TC 5 Z9 5 U1 0 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JAN PY 2010 VL 18 IS 1 AR 015008 DI 10.1088/0965-0393/18/1/015008 PG 10 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 532ZX UT WOS:000272791800008 ER PT J AU Marian, J Venturini, G Hansen, BL Knap, J Ortiz, M Campbell, GH AF Marian, J. Venturini, G. Hansen, B. L. Knap, J. Ortiz, M. Campbell, G. H. TI Finite-temperature extension of the quasicontinuum method using Langevin dynamics: entropy losses and analysis of errors SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID STOCHASTIC DIFFERENTIAL-EQUATIONS; THERMODYNAMIC PROPERTIES; VARIATIONAL INTEGRATORS; NUMERICAL-INTEGRATION; MOLECULAR-DYNAMICS; THERMAL-EXPANSION; FREE-ENERGY; SOLIDS; SIMULATIONS; ALGORITHMS AB The concurrent bridging of molecular dynamics and continuum thermodynamics presents a number of challenges, mostly associated with energy transmission and changes in the constitutive description of a material across domain boundaries. In this paper, we propose a framework for simulating coarse dynamic systems in the canonical ensemble using the quasicontinuum method (QC). The equations of motion are expressed in reduced QC coordinates and are strictly derived from dissipative Lagrangian mechanics. The derivation naturally leads to a classical Langevin implementation where the timescale is governed by vibrations emanating from the finest length scale occurring in the computational cell. The equations of motion are integrated explicitly via Newmark's (beta = 0; gamma = 1/2) method, which is parametrized to ensure overdamped dynamics. In this fashion, spurious heating due to reflected vibrations is suppressed, leading to stable canonical trajectories. To estimate the errors introduced by the QC reduction in the resulting dynamics, we have quantified the vibrational entropy losses in Al uniform meshes by calculating the thermal expansion coefficient for a number of conditions. We find that the entropic depletion introduced by coarsening varies linearly with the element size and is independent of the nodal cluster diameter. We rationalize the results in terms of the system, mesh and cluster sizes within the framework of the quasiharmonic approximation. The limitations of the method and alternatives to mitigate the errors introduced by coarsening are discussed. This work represents the first of a series of studies aimed at developing a fully non-equilibrium finite-temperature extension of QC. C1 [Marian, J.; Campbell, G. H.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [Venturini, G.; Hansen, B. L.; Ortiz, M.] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. [Knap, J.] USA, Res Lab, Aberdeen Proving Ground, MD 21005 USA. RP Marian, J (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. EM marian1@llnl.gov RI Campbell, Geoffrey/F-7681-2010 NR 70 TC 23 Z9 23 U1 4 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JAN PY 2010 VL 18 IS 1 AR 015003 DI 10.1088/0965-0393/18/1/015003 PG 31 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 532ZX UT WOS:000272791800003 ER PT J AU Monk, J Yang, Y Mendelev, MI Asta, M Hoyt, JJ Sun, DY AF Monk, J. Yang, Y. Mendelev, M. I. Asta, M. Hoyt, J. J. Sun, D. Y. TI Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID FREE-ENERGY; CRYSTALLIZATION; SOLIDIFICATION; LIQUID; ALLOYS; GROWTH; METALS AB The generation and dissipation of latent heat at the moving solid-liquid boundary during non-equilibrium molecular dynamics (MD) simulations of crystallization can lead to significant underestimations of the interface mobility. In this work we examine the heat flow problem in detail for an embedded atom description of pure Ni and offer strategies to obtain an accurate value of the kinetic coefficient, mu. For free-solidification simulations in which the entire system is thermostated using a Nose-Hoover or velocity rescaling algorithm a non-uniform temperature profile is observed and a peak in the temperature is found at the interface position. It is shown that if the actual interface temperature, rather than the thermostat set point temperature, is used to compute the kinetic coefficient then mu is approximately a factor of 2 larger than previous estimates. In addition, we introduce a layered thermostat method in which several sub-regions, aligned normal to the crystallization direction, are indepently thermostated to a desired undercooling. We show that as the number of thermostats increases (i.e., as the width of each independently thermostated layer decreases) the kinetic coefficient converges to a value consistent with that obtained using a single thermostat and the calculated interface temperature. Also, the kinetic coefficient was determined from an analysis of the equilibrium fluctuations of the solid-liquid interface position. We demonstrate that the kinetic coefficient obtained from the relaxation times of the fluctuation spectrum is equivalent to the two values obtained from free-solidification simulations provided a simple correction is made for the contribution of heat flow controlled interface motion. Finally, a one-dimensional phase field model that captures the effect of thermostats has been developed. The mesoscale model reproduces qualitatively the results from MD simulations and thus allows for an a priori estimate of the accuracy of a kinetic coefficient determination for any given classical MD system. The model also elucidates that the magnitude of the temperature gradients obtained in simulations with a single thermostat depends on the length of the simulation system normal to the interface; the need for the corrections discussed in this paper can thus be gauged from a study of the dependence of the calculated kinetic coefficient on system size. C1 [Monk, J.; Mendelev, M. I.] Ames Lab, Ames, IA 50011 USA. [Yang, Y.; Asta, M.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Hoyt, J. J.] McMaster Univ, Dept Mat Sci & Engn, Hamilton, ON, Canada. [Yang, Y.; Sun, D. Y.] E China Normal Univ, Dept Phys, Shanghai 200062, Peoples R China. RP Monk, J (reprint author), Ames Lab, Ames, IA 50011 USA. RI Yang, Yang/E-6916-2010; Sun, Deyan/D-5088-2012 OI Yang, Yang/0000-0002-8215-8228; Sun, Deyan/0000-0002-9728-8017 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-07CH11358, DE-FG02-06ER46282]; Natural Sciences and Engineering Research Council of Canada (NSERC) Discovery grant; National Natural Science Foundation of China, Shanghai Project for the Basic Research; US Department of Energy (DOE) FX The work at the Ames Laboratory was supported by the US Department of Energy, Office of Basic Energy Sciences, under contract no DE-AC02-07CH11358. MA acknowledges funding from the Department of Energy, Office of basic Energy Sciences, under contract number DE-FG02-06ER46282. JJH was supported by a Natural Sciences and Engineering Research Council of Canada (NSERC) Discovery grant. DYS and YY acknowledge support from the National Natural Science Foundation of China, Shanghai Project for the Basic Research. All authors acknowledge the US Department of Energy (DOE)-sponsored Computational Materials Science Network (CMSN) project on 'Dynamics and Cohesion of Materials Interfaces and Confined Phases Under Stress'. NR 32 TC 31 Z9 31 U1 1 U2 45 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JAN PY 2010 VL 18 IS 1 AR 015004 DI 10.1088/0965-0393/18/1/015004 PG 18 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 532ZX UT WOS:000272791800004 ER PT J AU Tucker, GJ Zimmerman, JA McDowell, DL AF Tucker, G. J. Zimmerman, J. A. McDowell, D. L. TI Shear deformation kinematics of bicrystalline grain boundaries in atomistic simulations SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID E-STRUCTURAL-UNIT; NANOCRYSTALLINE METALS; MOLECULAR-DYNAMICS; DISLOCATION NUCLEATION; QUASI-CONTINUUM; COPPER; BEHAVIOR AB The shear deformation behavior of bicrystalline grain boundaries is analyzed using continuum mechanical metrics extracted from atomistic simulations. Calculating these quantities at this length-scale is premised on determining the atomic deformation gradient tensor using interatomic distances. Employing interatomic distance measurements in this manner permits extension of the deformation gradient formulation to estimate important continuum-scale quantities such as lattice curvature and vorticity. These continuum metrics are calculated from atomic deformation fields produced in 2D and thin 3D equilibrium bicrystalline grain boundary structures under shear at 10 K. Results from these simulations show that interface structure strongly influences the resulting accommodation mechanisms under shear and deformation fields produced in the surrounding lattice. Calculating these continuum quantities at the nanoscale lends insight into localized and collective atomic behavior during shear deformation for various mechanisms, and it is shown that different mechanisms lead to differing behavior. Additionally, the results of these calculations can perhaps serve as an intermediary form to inform continuum models seeking to explore larger-scaled grain boundary deformation behavior in 3D, and to evaluate the veracity of continuum models that overlap the nanoscale. C1 [Tucker, G. J.; McDowell, D. L.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Zimmerman, J. A.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Tucker, GJ (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, 771 Ferst Dr, Atlanta, GA 30332 USA. EM garritt.tucker@gatech.edu RI Zimmerman, Jonathan/A-8019-2012; Tucker, Garritt/A-1954-2016 OI Tucker, Garritt/0000-0002-4011-450X FU Sandia National Laboratories through the Enabling Predictive Simulation Research Institute (EPSRI) intern program; NSF [CMMI-0758265]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX GJT is grateful for the support of Sandia National Laboratories through the Enabling Predictive Simulation Research Institute (EPSRI) intern program. GJT and DLM are grateful for the support of the NSF grant (CMMI-0758265) on multiresolution, coarse-grained modeling of 3D dislocation nucleation and migration. Sandia is a multiprogram laboratory operated by the Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 31 TC 20 Z9 21 U1 2 U2 21 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JAN PY 2010 VL 18 IS 1 AR 015002 DI 10.1088/0965-0393/18/1/015002 PG 15 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 532ZX UT WOS:000272791800002 ER PT S AU Tajiri, K Wang, CY AF Tajiri, Kazuya Wang, Chao-Yang BE Pasaogullari, U Wang, CY TI Cold Start of Polymer Electrolyte Fuel Cells SO MODERN ASPECTS OF ELECTROCHEMISTRY, NO 49: MODELING AND DIAGNOSTICS OF POLYMER ELECTROLYTE FUEL CELLS SE Modern Aspects of Electrochemistry LA English DT Article; Book Chapter ID ICE FORMATION; CATALYST LAYER; WATER REMOVAL; LIQUID WATER; GAS PURGE; PEFC; PARAMETERS; OPERATION; DESIGN; MODEL C1 [Tajiri, Kazuya] Argonne Natl Lab, Argonne, IL 60439 USA. [Wang, Chao-Yang] Penn State Univ, Electrochem Engine Ctr ECEC, University Pk, PA 16802 USA. [Wang, Chao-Yang] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. RP Tajiri, K (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Wang, Chao-Yang/C-4122-2009 NR 33 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 0076-9924 BN 978-0-387-98067-6 J9 MOD ASP ELECTROCHEM PY 2010 IS 49 BP 89 EP 128 DI 10.1007/978-0-387-98068-3_3 D2 10.1007/978-0-387-98068-3 PG 40 WC Electrochemistry SC Electrochemistry GA BQJ35 UT WOS:000281163300003 ER PT S AU Mukherjee, PP Wang, CY AF Mukherjee, Partha P. Wang, Chao-Yang BE Pasaogullari, U Wang, CY TI Mesoscopic Modeling of Two-Phase Transport in Polymer Electrolyte Fuel Cells SO MODERN ASPECTS OF ELECTROCHEMISTRY, NO 49: MODELING AND DIAGNOSTICS OF POLYMER ELECTROLYTE FUEL CELLS SE Modern Aspects of Electrochemistry LA English DT Article; Book Chapter ID LATTICE-BOLTZMANN MODEL; GAS-DIFFUSION LAYERS; DIRECT NUMERICAL-SIMULATION; POROUS-MEDIA; CAPILLARY-PRESSURE; IMMISCIBLE DROPLET; WATER TRANSPORT; FLOW; CATHODE; EXCHANGE C1 [Mukherjee, Partha P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Wang, Chao-Yang] Penn State Univ, Electrochem Engine Ctr ECEC, University Pk, PA 16802 USA. [Wang, Chao-Yang] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. RP Mukherjee, PP (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008,MS 6164, Oak Ridge, TN 37831 USA. EM mukher-jeepp@ornl.gov RI Wang, Chao-Yang/C-4122-2009 NR 68 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 0076-9924 BN 978-0-387-98067-6 J9 MOD ASP ELECTROCHEM PY 2010 IS 49 BP 255 EP 306 DI 10.1007/978-0-387-98068-3_8 D2 10.1007/978-0-387-98068-3 PG 52 WC Electrochemistry SC Electrochemistry GA BQJ35 UT WOS:000281163300008 ER PT S AU Daughton, W Roytershteyn, V Karimabadi, H Yin, L Albright, BJ Gary, SP Bowers, KJ AF Daughton, W. Roytershteyn, V. Karimabadi, H. Yin, L. Albright, B. J. Gary, S. P. Bowers, Kevin J. BE Vassiliadis, D Fung, SF Shao, X Daglis, IA Huba, JD TI Secondary Island Formation in Collisional and Collisionless Kinetic Simulations of Magnetic Reconnection SO MODERN CHALLENGES IN NONLINEAR PLASMA PHYSICS: A FESTSCHRIFT HONORING THE CAREER OF DENNIS PAPADOPOULOS SE AIP Conference Proceedings LA English DT Proceedings Paper CT Conference on Modern Challenges in Nonlinear Plasma Physics CY JUN 15-19, 2009 CL Chalkidiki, GREECE SP BAE Syst, European Space Agcy Directorate Sci & Robot Explorat, US Naval Res Lab, European Atom Energy Commun, European Phys Soc, ICCS, Aristotle Univ Thessaloniki, Latsis Fdn DE Reconnection; full particle simulations; secondary islands; coulomb collisions ID PLASMAS AB The evolution of magnetic reconnection in large-scale systems often gives rise to extended current layers that are unstable to the formation of secondary magnetic islands. The role of these islands in the reconnection process and the conditions under which they form remains a subject of debate. In this work, we benchmark two different kinetic particle-in-cell codes to address the formation of secondary islands for several types of global boundary conditions. The influence on reconnection is examined for a range of conditions and collisionality limits. Although secondary islands are observed in all cases, their influence on reconnection may be different depending on the regime. In the collisional limit, the secondary islands play a key role in breaking away from the slow Sweet-Parker scaling and pushing the evolution towards small scales where kinetic effects can dominate. In the collisionless limit, fast reconnection can proceed in small systems (30x ion inertial scale) without producing any secondary islands. However, in large-scale systems the diffusion region forms extended current layers that are unstable to the formation of secondary islands, giving rise to a time-dependent reconnection process. These instabilities provide one possible mechanism for controlling the average length of the diffusion region in large systems. New results from Fokker-Planck kinetic simulations are used to examine the role of secondary islands in electron-positron plasmas for both collisional and kinetic parameter regimes. Simple physics arguments suggest the transition should occur when the resistive layers approach the inertial scale. These expectations are confirmed by simulations, which demonstrate the average rate remains fast in large systems and is accompanied by the continuous formation of secondary islands. C1 [Daughton, W.; Roytershteyn, V.; Yin, L.; Albright, B. J.; Gary, S. P.; Bowers, Kevin J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Karimabadi, H.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. [Bowers, Kevin J.] LLC, DE Shaw Res, New York, NY 10036 USA. RP Daughton, W (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM homakar@gmail.com RI Fung, Shing/F-5647-2012; Daughton, William/L-9661-2013 FU NASA Heliophysics Theory Program; NSF-GEM [ATM-0802380]; LANL institutional computing resources; NASA High-End Computing (HEC) Program through NASA; Advanced Supercomputing (NAS) Division at Ames Research Center FX This research was supported by the NASA Heliophysics Theory Program and NSF-GEM grant ATM-0802380. Simulations were performed with LANL institutional computing resources and with the NASA High-End Computing (HEC) Program through the NASA Advanced Supercomputing (NAS) Division at Ames Research Center. NR 33 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0875-3 J9 AIP CONF PROC PY 2010 VL 1320 BP 144 EP + PG 4 WC Geochemistry & Geophysics; Physics, Fluids & Plasmas SC Geochemistry & Geophysics; Physics GA BUJ89 UT WOS:000289535000019 ER PT S AU Cease, H Depoy, D Derylo, G Diehl, HT Estrada, J Flaugher, B Kuk, K Kuhlmann, S Lathrop, A Schultz, K Reinert, RJ Schmitt, RL Stefanik, A Zhao, A AF Cease, H. DePoy, D. Derylo, G. Diehl, H. T. Estrada, J. Flaugher, B. Kuk, K. Kuhlmann, S. Lathrop, A. Schultz, K. Reinert, R. J. Schmitt, R. L. Stefanik, A. Zhao, A. BE AtadEttedgui, E Lemke, D TI Cooling the Dark Energy Camera CCD array using a closed-loop, two-phase liquid nitrogen system SO MODERN TECHNOLOGIES IN SPACE- AND GROUND-BASED TELESCOPES AND INSTRUMENTATION SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Modern Technologies in Space- and Ground-Based Telescopes and Instrumentation CY JUN 27-JUL 02, 2010 CL San Diego, CA SP SPIE DE DES; DECAM; CTIO; NOAO; CCD; liquid nitrogen; pump; camera cooling AB The Dark Energy Camera (DECam) is the new wide field prime-focus imager for the Blanco 4m telescope at CTIO. This instrument is a 3 sq. deg. camera with a 45 cm diameter focal plane consisting of 62 2k x 4k CCDs and 12 2k x 2k CCDs and was developed for the Dark Energy Survey that will start operations at CTIO in 2011. The DECam CCD array is inside the imager vessel. The focal plate is cooled using a closed loop liquid nitrogen system. As part of the development of the mechanical and cooling design, a full scale prototype imager vessel has been constructed and is now being used for Multi-CCD readout tests. The cryogenic cooling system and thermal controls are described along with cooling results from the prototype camera. The cooling system layout on the Blanco telescope in Chile is described. C1 [Cease, H.; Derylo, G.; Diehl, H. T.; Estrada, J.; Flaugher, B.; Kuk, K.; Lathrop, A.; Schultz, K.; Reinert, R. J.; Schmitt, R. L.; Stefanik, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Cease, H (reprint author), Fermilab Natl Accelerator Lab, Box 500, Batavia, IL 60510 USA. EM Cease@fnal.gov RI Zhao, Huyue /C-3088-2013 NR 8 TC 2 Z9 2 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-229-7 J9 PROC SPIE PY 2010 VL 7739 AR 77393N DI 10.1117/12.857995 PG 11 WC Astronomy & Astrophysics; Instruments & Instrumentation; Optics SC Astronomy & Astrophysics; Instruments & Instrumentation; Optics GA BSU72 UT WOS:000285833700119 ER PT S AU Derylo, G Cease, H Diehl, HT Estrada, J Flaugher, B AF Derylo, Greg Cease, Herman Diehl, H. Thomas Estrada, Juan Flaugher, Brenna BE AtadEttedgui, E Lemke, D TI Assembly of the Dark Energy Survey CCD Imager SO MODERN TECHNOLOGIES IN SPACE- AND GROUND-BASED TELESCOPES AND INSTRUMENTATION SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Modern Technologies in Space- and Ground-Based Telescopes and Instrumentation CY JUN 27-JUL 02, 2010 CL San Diego, CA SP SPIE DE CCD; camera; Blanco; CTIO AB The Dark Energy Camera (DECam) is the new wide field prime-focus imager for the Blanco 4m telescope at CTIO. This instrument is a 2.2 sq. deg. camera with a 45 cm diameter focal plane consisting of 62 2k x 4k CCDs and 12 2k x 2k CCDs and was developed for the Dark Energy Survey that will start operations at CTIO in 2011. DECam includes the vessel shell, the optical window cell, the CCDs with their readout electronics and vacuum interface, the focal plane support plate and its mounts, and the cooling system and thermal controls. Assembly of the imager, alignment of the focal plane and installation of the CCDs are described. During DECam development a full scale prototype was used for multi-CCD readout tests. This test vessel went through several stages as the CCDs and related hardware progressed from early prototypes to final production designs. C1 [Derylo, Greg; Cease, Herman; Diehl, H. Thomas; Estrada, Juan; Flaugher, Brenna] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Derylo, G (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 5 TC 2 Z9 2 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-229-7 J9 PROC SPIE PY 2010 VL 7739 AR 77393M DI 10.1117/12.857480 PG 10 WC Astronomy & Astrophysics; Instruments & Instrumentation; Optics SC Astronomy & Astrophysics; Instruments & Instrumentation; Optics GA BSU72 UT WOS:000285833700118 ER PT S AU Kuzmenko, PJ Little, SL Ikeda, Y Kobayashi, N AF Kuzmenko, Paul J. Little, Steve L. Ikeda, Yuji Kobayashi, Naoto BE AtadEttedgui, E Lemke, D TI Progress in the fabrication of a prototype ZnSe immersion grating for the WINERED spectrograph SO MODERN TECHNOLOGIES IN SPACE- AND GROUND-BASED TELESCOPES AND INSTRUMENTATION SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Modern Technologies in Space- and Ground-Based Telescopes and Instrumentation CY JUN 27-JUL 02, 2010 CL San Diego, CA SP SPIE DE immersion grating; zinc selenide; diamond machining; WINERED; subsurface damage ID INFRARED ASTRONOMY; SUBSURFACE DAMAGE; SPECTROSCOPY AB The WINERED spectrograph requires a large (9 cm x 9 cm aperture), 70 degrees blaze ZnSe immersion grating to achieve a resolution of similar to 100,000. It will be implemented as a mosaic of 3 gratings of aperture 3 cm x 9 cm. LLNL is diamond machining a subscale prototype (2.3 cm x 5.0 cm aperture) to demonstrate feasibility. This is a 10x increase in the size of gratings machined at LLNL. The first cutting of the grating had large wave front errors due to non-working thermal control. After repairs we recut a grating with an rms wavefront error of 0.11 wave @633 nm, which meets WINERED's full aperture requirement. The first cutting had good quality grooves, but the recut showed bad chipping. A second recut after polishing away the grating had pitted groove faces. It is known that diamond machining and mechanical polishing create subsurface damage. This damage can cause brittle fracture during subsequent machining. We plan to chemically etch ZnSe substrates to remove damaged layers prior to machining our next gratings. C1 [Kuzmenko, Paul J.; Little, Steve L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kuzmenko, PJ (reprint author), Lawrence Livermore Natl Lab, L-183,POB 808, Livermore, CA 94551 USA. EM kuzmenko1@llnl.gov NR 19 TC 2 Z9 2 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-229-7 J9 PROC SPIE PY 2010 VL 7739 AR 77393U DI 10.1117/12.857804 PG 11 WC Astronomy & Astrophysics; Instruments & Instrumentation; Optics SC Astronomy & Astrophysics; Instruments & Instrumentation; Optics GA BSU72 UT WOS:000285833700126 ER PT B AU Shugart, LR Theodorakis, CW Bickham, JW Wullschleger, SD Weston, DJ AF Shugart, Lee R. Theodorakis, Chris W. Bickham, John W. Wullschleger, Stan D. Weston, David J. BE DeWoody, JA Bickham, JW Michler, CH Nichols, KM Rhodes, OE Woeste, KE TI Evolutionary toxicology SO MOLECULAR APPROACHES IN NATURAL RESOURCE CONSERVATION AND MANAGEMENT LA English DT Article; Book Chapter ID POPULATION GENETIC-STRUCTURE; CLADE PHYLOGEOGRAPHICAL ANALYSIS; SINGLE NUCLEOTIDE POLYMORPHISMS; MOSQUITOFISH GAMBUSIA-HOLBROOKI; ENDOCRINE-DISRUPTING CHEMICALS; VOLE CLETHRIONOMYS-GLAREOLUS; FISH FUNDULUS-HETEROCLITUS; HEAVY-METAL POLLUTION; FROGS RANA-RIDIBUNDA; ESTUARINE FISH C1 [Shugart, Lee R.] LR Shugart & Associates Inc, Oak Ridge, TN USA. [Theodorakis, Chris W.] So Illinois Univ, Dept Biol, Edwardsville, IL 62026 USA. [Bickham, John W.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. [Bickham, John W.] Purdue Univ, Ctr Environm, W Lafayette, IN 47907 USA. [Wullschleger, Stan D.; Weston, David J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Shugart, LR (reprint author), LR Shugart & Associates Inc, Oak Ridge, TN USA. NR 163 TC 5 Z9 5 U1 1 U2 7 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-0-521-51564-1 PY 2010 BP 320 EP 362 PG 43 WC Biodiversity Conservation; Biochemistry & Molecular Biology; Ecology SC Biodiversity & Conservation; Biochemistry & Molecular Biology; Environmental Sciences & Ecology GA BTP04 UT WOS:000287675400014 ER PT J AU Chae, PS Laible, PD Gellman, SH AF Chae, Pil Seok Laible, Philip D. Gellman, Samuel H. TI Tripod amphiphiles for membrane protein manipulation SO MOLECULAR BIOSYSTEMS LA English DT Review ID CRYSTAL-STRUCTURE; NONIONIC DETERGENTS; RHODOBACTER-SPHAEROIDES; THERMAL-STABILITY; AQUEOUS-SOLUTIONS; CORE COMPLEX; SOLUBILIZATION; BACTERIORHODOPSIN; CRYSTALLIZATION; SURFACTANTS AB Integral membrane proteins (IMPs) are crucial biological components, mediating the transfer of material and information between cells and their environment. Many IMPs have proven to be difficult to isolate and study. High-resolution structural information on this class of proteins is limited, largely because of difficulties in generating soluble forms of such proteins that retain native folding and activity, and difficulties in generating high-quality crystals from such preparations. Isolated IMPs typically do not dissolve in aqueous solution, a property that arises from the large patches of hydrophobic surface necessary for favorable interactions with the core of a lipid bilayer. Detergents are generally required for IMP solubilization: hydrophobic segments of detergent molecules cluster around and shield from water the hydrophobic protein surfaces. The critical role played by detergents in membrane protein manipulation, and the fact that many IMPs are recalcitrant to solubilization and/or crystallization with currently available detergents, suggest that it should be valuable to explore new types of amphiphiles for these purposes. This review constitutes a progress report on our long-term effort to develop a new class of organic molecules, collectively designated "tripod amphiphiles,'' that are intended as alternatives to conventional detergents for membrane protein manipulation. One long-range goal of this research is to identify new types of amphiphiles that facilitate IMP crystallization. This review should help introduce an important biochemical need to organic chemists, and perhaps inspire new approaches to the problem. C1 [Laible, Philip D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Chae, Pil Seok; Gellman, Samuel H.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. RP Laible, PD (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM laible@anl.gov; gellman@wisc.edu FU NIH [P01 GM75913] FX This work was supported by NIH grant P01 GM75913. NR 64 TC 23 Z9 23 U1 1 U2 9 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2010 VL 6 IS 1 BP 89 EP 94 DI 10.1039/b915162c PG 6 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 534DH UT WOS:000272875200009 PM 23814603 ER PT J AU Joslin, EJ Shankaran, H Opresko, LK Bollinger, N Lauffenburger, DA Wiley, HS AF Joslin, Elizabeth J. Shankaran, Harish Opresko, Lee K. Bollinger, Nikki Lauffenburger, Douglas A. Wiley, H. Steven TI Structure of the EGF receptor transactivation circuit integrates multiple signals with cell context SO MOLECULAR BIOSYSTEMS LA English DT Article ID EPIDERMAL-GROWTH-FACTOR; MAMMARY EPITHELIAL-CELLS; INDUCIBLE AUTOCRINE CASCADE; PROTEIN-COUPLED RECEPTORS; SUSTAINED ACTIVATION; TYROSINE KINASE; FACTOR-ALPHA; PATHWAYS; TRANSDUCTION; BINDING AB Transactivation of the epidermal growth factor receptor (EGFR) is thought to be a process by which a variety of cellular inputs can be integrated into a single signaling pathway through either stimulated proteolysis (shedding) of membrane-anchored EGFR ligands or by modi. cation of the activity of the EGFR. As a first step towards building a predictive model of the EGFR transactivation circuit, we quantitatively defined how signals from multiple agonists were integrated both upstream and downstream of the EGFR to regulate extracellular signal regulated kinase (ERK) activity in human mammary epithelial cells. By using a "non-binding'' reporter of ligand shedding, we found that transactivation triggers a positive feedback loop from ERK back to the EGFR such that ligand shedding drives EGFR-stimulated ERK that in turn drives further ligand shedding. Importantly, activated Ras and ERK levels were nearly linear functions of ligand shedding and the effect of multiple, sub-saturating inputs was additive. Simulations showed that ERK-mediated feedback through ligand shedding resulted in a stable steady-state level of activated ERK, but also showed that the extracellular environment can modulate the level of feedback. Our results suggest that the transactivation circuit acts as a context-dependent integrator and amplifier of multiple extracellular signals and that signal integration can effectively occur at multiple points in the EGFR pathway. C1 [Shankaran, Harish; Opresko, Lee K.; Bollinger, Nikki; Wiley, H. Steven] Pacific NW Natl Lab, Syst Biol Program, Richland, WA 99354 USA. [Joslin, Elizabeth J.; Lauffenburger, Douglas A.] MIT, Dept Biol Engn, Cambridge, MA 02139 USA. [Wiley, H. Steven] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Wiley, HS (reprint author), Pacific NW Natl Lab, Syst Biol Program, Richland, WA 99354 USA. EM steven.wiley@pnl.gov OI Wiley, Steven/0000-0003-0232-6867 FU Biomolecular Systems Initiative LDRD [DE-AC05-76RL01830]; NIH [CA96504]; Whitaker Foundation Graduate Fellowship FX This work was funded by the Biomolecular Systems Initiative LDRD Program at the Pacific Northwest National Laboratory; a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830, and by NIH grants CA96504 to DAL, and by a Whitaker Foundation Graduate Fellowship to EJJ. The authors thank Noah Pefaur for technical assistance and Karin Rodland for many useful discussions. NR 45 TC 14 Z9 14 U1 0 U2 2 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2010 VL 6 IS 7 BP 1293 EP 1306 DI 10.1039/c003921g PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 611YP UT WOS:000278861500019 PM 20458382 ER PT J AU Carter, EA Rayner, BS McLeod, AI Wu, LE Marshall, CP Levina, A Aitken, JB Witting, PK Lai, B Cai, ZH Vogt, S Lee, YC Chen, CI Tobin, MJ Harris, HH Lay, PA AF Carter, Elizabeth A. Rayner, Benjamin S. McLeod, Andrew I. Wu, Lindsay E. Marshall, Craig P. Levina, Aviva Aitken, Jade B. Witting, Paul K. Lai, Barry Cai, Zhonghou Vogt, Stefan Lee, Yao-Chang Chen, Ching-Iue Tobin, Mark J. Harris, Hugh H. Lay, Peter A. TI Silicon nitride as a versatile growth substrate for microspectroscopic imaging and mapping of individual cells SO MOLECULAR BIOSYSTEMS LA English DT Article ID RAMAN-SPECTROSCOPY; INFRARED MICROSPECTROSCOPY; SYNCHROTRON-RADIATION; IR MICROSPECTROSCOPY; FT-IR; DIFFERENTIATION; INSULIN; INJURY; LINE AB Herein is described a general sampling protocol that includes culture, differentiation and. xing of cells in their preferred morphology on the one sample substrate (Si(3)N(4)) to enable subsequent diverse modern microspectroscopic analyses. The protocol enables unprecedented correlated and complementary information on the intracellular biochemistry of metabolic processes, diseases and their treatment, which offers the opportunity to revolutionize our understanding of cell and tissue biology at a molecular level. The culture of adherent cells onto inexpensive Si3N4 membranes allows microspectroscopic analyses across the electromagnetic spectrum, from hard X-ray fluorescence (both XRF and XANES), through to visible and fluorescence light microscopies, and infrared microspectroscopy without substrate interference. Adherent mammalian cell lines (3T3-L1 adipocytes and H9c2 cardiac myocytes) illustrate the in vitro application of these protocols. The cells adhered strongly to Si(3)N(4) membranes and visually displayed normal proliferative and phenotypic growth; more importantly, rapid alcohol fixation of cells did not affect their structural integrity for subsequent analyses. C1 [Carter, Elizabeth A.; McLeod, Andrew I.; Wu, Lindsay E.; Marshall, Craig P.; Levina, Aviva; Aitken, Jade B.; Harris, Hugh H.; Lay, Peter A.] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. [Rayner, Benjamin S.; Witting, Paul K.] Concord Repatriat Gen Hosp, ANZAC Res Inst, Concord, NSW 2139, Australia. [Lai, Barry; Cai, Zhonghou; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Lee, Yao-Chang; Chen, Ching-Iue] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. [Tobin, Mark J.] Australian Synchrotron, Clayton, Vic 3168, Australia. RP Lay, PA (reprint author), Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. EM peter.lay@sydney.edu.au RI Harris, Hugh/A-4983-2008; Lay, Peter/B-4698-2014; Tobin, Mark/B-8208-2015; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; OI Tobin, Mark/0000-0003-1862-0649; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Lay, Peter/0000-0002-3232-2720; Harris, Hugh/0000-0002-3472-8628 FU Australian Research Council (ARC); National Heart Foundation; Australian Synchrotron Research Program (ASRP); ASRP Research Fellowship; Commonwealth of Australia; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We are grateful for financial support provided by the Australian Research Council (ARC) Discovery grants including an Australian Professorial Fellowship (to P.A.L) and ARC Australian Research Fellowship and National Heart Foundation Grant-in-aid (to P.K.W), the Australian Synchrotron Research Program (ASRP) grant for access to NSRRC (E.A.C., H.H.H., C.P.M, B.S.R., A.L., P.A.L.), the Australian Synchrotron (P.A.L., E.A.C., A.I.M.) and APS (B.S.R., P.A.L.) facilities, and an ASRP Research Fellowship (H.H.H.). The ASRP was funded by the Commonwealth of Australia under the Major National Research Facilities Program. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 37 TC 33 Z9 34 U1 3 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2010 VL 6 IS 7 BP 1316 EP 1322 DI 10.1039/c001499k PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 611YP UT WOS:000278861500021 PM 20445927 ER PT J AU Buchko, GW Niemann, G Baker, ES Belov, ME Smith, RD Heffron, F Adkins, JN McDermott, JE AF Buchko, Garry W. Niemann, George Baker, Erin S. Belov, Mikhail E. Smith, Richard D. Heffron, Fred Adkins, Joshua N. McDermott, Jason E. TI A multi-pronged search for a common structural motif in the secretion signal of Salmonella enterica serovar Typhimurium type III effector proteins SO MOLECULAR BIOSYSTEMS LA English DT Article ID N-TERMINAL DOMAIN; FUNCTIONAL CONSERVATION; YERSINIA-ENTEROCOLITICA; SECONDARY STRUCTURE; CIRCULAR-DICHROISM; BETA-LACTOGLOBULIN; INTRINSIC DISORDER; CRYSTAL-STRUCTURE; VIRULENCE; SEQUENCE AB Many pathogenic Gram-negative bacteria use a type III secretion system (T3SS) to deliver effector proteins into the host cell where they reprogram host defenses and facilitate pathogenesis. The first 20-30 N-terminal residues usually contain the 'secretion signal' that targets effector proteins for translocation, however, a consensus sequence motif has never been discerned. Recent machine-learning approaches, such as support vector machine (SVM)-based Identification and Evaluation of Virulence Effectors (SIEVE), have improved the ability to identify effector proteins from genomics sequence information. While these methods all suggest that the T3SS secretion signal has a characteristic amino acid composition bias, it is still unclear if the amino acid pattern is important and if there are any unifying structural properties that direct recognition. To address these issues a peptide corresponding to the secretion signal for Salmonella enterica serovar Typhimurium effector SseJ was synthesized (residues 1-30, SseJ) along with scrambled peptides of the same amino acid composition that produced high (SseJ-H) and low (SseJ-L) SIEVE scores. The secretion properties of these three peptides were tested using a secretion signal-CyaA fusion assay and their structural properties probed using circular dichroism, nuclear magnetic resonance, and ion mobility spectrometry-mass spectrometry. The secretion predictions from SIEVE matched signal-CyaA fusion experimental results with J774 macrophages suggesting that the SseJ secretion signal has some sequence order dependence. The structural studies showed that the SseJ, SseJ-H, and SseJ-L peptides were intrinsically disordered in aqueous solution with a small predisposition to adopt nascent helical structure only in the presence of structure stabilizing agents such as 1,1,1,3,3,3-hexafluoroisopropanol. Intrinsic disorder may be a universal feature of effector secretion signals as similar conclusions were reached following structural characterization of peptides corresponding to the N-terminal regions of the S. Typhimurium effectors SptP, SopD-2, GtgE, and the Yersinia pestis effector YopH. C1 [Buchko, Garry W.; Baker, Erin S.; Belov, Mikhail E.; Smith, Richard D.; Adkins, Joshua N.; McDermott, Jason E.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Niemann, George; Heffron, Fred] Oregon Hlth & Sci Univ, Dept Microbiol & Immunol, Portland, OR 97201 USA. RP Buchko, GW (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM garry.buchko@pnl.gov; jason.mcdermott@pnl.gov RI Smith, Richard/J-3664-2012; Adkins, Joshua/B-9881-2013; Buchko, Garry/G-6173-2015; OI Smith, Richard/0000-0002-2381-2349; Adkins, Joshua/0000-0003-0399-0700; Buchko, Garry/0000-0002-3639-1061; McDermott, Jason/0000-0003-2961-2572 FU National Institute of Allergy and Infectious Diseases; NIH/DHHS [Y1-AI-8401-01]; NIH National Center for Research Resources [RR 18522]; NIH National Cancer Institute [R21 CA12619-01]; Washington State Life Sciences Discovery Fund; Laboratory Directed Research and Development program at Pacific Northwest National Laboratory (PNNL); US Department of Energy's Office of Biological and Environmental Research (BER) program located at PNNL FX This research was supported by the National Institute of Allergy and Infectious Diseases, NIH/DHHS, through interagency agreement Y1-AI-8401-01 with contributions from the NIH National Center for Research Resources (RR 18522), the NIH National Cancer Institute (R21 CA12619-01), the Washington State Life Sciences Discovery Fund, and the Laboratory Directed Research and Development program at Pacific Northwest National Laboratory (PNNL). Major portions of the research were performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by US Department of Energy's Office of Biological and Environmental Research (BER) program located at PNNL. PNNL is operated for the US Department of Energy by Battelle. NR 72 TC 25 Z9 25 U1 2 U2 9 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2010 VL 6 IS 12 BP 2448 EP 2458 DI 10.1039/c0mb00097c PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 676SD UT WOS:000283937800013 PM 20877914 ER PT J AU Gloriam, DE Orchard, S Bertinetti, D Bjorling, E Bongcam-Rudloff, E Borrebaeck, CAK Bourbeillon, J Bradbury, ARM de Daruvar, A Dubel, S Frank, R Gibson, TJ Gold, L Haslam, N Herberg, FW Hiltke, T Hoheisel, JD Kerrien, S Koegl, M Konthur, Z Korn, B Landegren, U Montecchi-Palazzi, L Palcy, S Rodriguez, H Schweinsberg, S Sievert, V Stoevesandt, O Taussig, MJ Ueffing, M Uhlen, M van der Maarel, S Wingren, C Woollard, P Sherman, DJ Hermjakob, H AF Gloriam, David E. Orchard, Sandra Bertinetti, Daniela Bjorling, Erik Bongcam-Rudloff, Erik Borrebaeck, Carl A. K. Bourbeillon, Julie Bradbury, Andrew R. M. de Daruvar, Antoine Duebel, Stefan Frank, Ronald Gibson, Toby J. Gold, Larry Haslam, Niall Herberg, Friedrich W. Hiltke, Tara Hoheisel, Joerg D. Kerrien, Samuel Koegl, Manfred Konthur, Zoltan Korn, Bernhard Landegren, Ulf Montecchi-Palazzi, Luisa Palcy, Sandrine Rodriguez, Henry Schweinsberg, Sonja Sievert, Volker Stoevesandt, Oda Taussig, Michael J. Ueffing, Marius Uhlen, Mathias van der Maarel, Silvere Wingren, Christer Woollard, Peter Sherman, David J. Hermjakob, Henning TI A Community Standard Format for the Representation of Protein Affinity Reagents SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID ANTIBODY PROTEOMICS; RESOURCE; ATLAS; HER2 AB Protein affinity reagents (PARs), most commonly antibodies, are essential reagents for protein characterization in basic research, biotechnology, and diagnostics as well as the fastest growing class of therapeutics. Large numbers of PARs are available commercially; however, their quality is often uncertain. In addition, currently available PARs cover only a fraction of the human proteome, and their cost is prohibitive for proteome scale applications. This situation has triggered several initiatives involving large scale generation and validation of antibodies, for example the Swedish Human Protein Atlas and the German Antibody Factory. Antibodies targeting specific subproteomes are being pursued by members of Human Proteome Organisation (plasma and liver proteome projects) and the United States National Cancer Institute (cancer-associated antigens). ProteomeBinders, a European consortium, aims to set up a resource of consistently quality-controlled protein-binding reagents for the whole human proteome. An ultimate PAR database resource would allow consumers to visit one online warehouse and find all available affinity reagents from different providers together with documentation that facilitates easy comparison of their cost and quality. However, in contrast to, for example, nucleotide databases among which data are synchronized between the major data providers, current PAR producers, quality control centers, and commercial companies all use incompatible formats, hindering data exchange. Here we propose Proteomics Standards Initiative (PSI)-PAR as a global community standard format for the representation and exchange of protein affinity reagent data. The PSI-PAR format is maintained by the Human Proteome Organisation PSI and was developed within the context of ProteomeBinders by building on a mature proteomics standard format, PSI-molecular interaction, which is a widely accepted and established community standard for molecular interaction data. Further information and documentation are available on the PSI-PAR web site. Molecular & Cellular Proteomics 9: 1-10, 2010. C1 [Gloriam, David E.; Orchard, Sandra; Kerrien, Samuel; Montecchi-Palazzi, Luisa; Hermjakob, Henning] European Bioinformat Inst, Cambridge CB10 1SD, England. [Gloriam, David E.] Univ Copenhagen, Pharmaceut Fac, DK-2100 Copenhagen, Denmark. [Bertinetti, Daniela; Herberg, Friedrich W.; Schweinsberg, Sonja] Univ Kassel, Dept Biochem, D-34132 Kassel, Germany. [Bjorling, Erik; Uhlen, Mathias] AlbaNova Univ Ctr, Royal Inst Technol, SE-10691 Stockholm, Sweden. [Bongcam-Rudloff, Erik] Swedish Univ Agr Sci, Dept Anim Breeding & Genet, S-75124 Uppsala, Sweden. [Bongcam-Rudloff, Erik] Swedish Univ Agr Sci, Linnaeus Ctr Bioinformat, S-75124 Uppsala, Sweden. [Bourbeillon, Julie; Sherman, David J.] Inst Natl Rech Informat & Automat Bordeaux Sud Ou, F-33405 Talence, France. [Bourbeillon, Julie; de Daruvar, Antoine; Palcy, Sandrine; Sherman, David J.] Univ Bordeaux, Lab Bordelais Rech Informat, CNRS 5800, F-33405 Talence, France. [Bradbury, Andrew R. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [de Daruvar, Antoine; Palcy, Sandrine] Univ Bordeaux, Ctr Bioinformat Bordeaux, F-33000 Bordeaux, France. [Duebel, Stefan] Tech Univ Carolo Wilhelmina Braunschweig, Inst Biochem & Biotechnol, D-38106 Braunschweig, Germany. [Frank, Ronald] Helmholtz Ctr Infect Res, D-38124 Braunschweig, Germany. [Gibson, Toby J.; Haslam, Niall] European Mol Biol Lab, D-69117 Heidelberg, Germany. [Gold, Larry] SomaLogic Inc, Boulder, CO 80301 USA. [Hiltke, Tara; Rodriguez, Henry] NCI, NIH, Bethesda, MD 20892 USA. [Hoheisel, Joerg D.; Korn, Bernhard] German Canc Res Ctr, D-69120 Heidelberg, Germany. [Koegl, Manfred] Resource Ctr Genome Res, D-69120 Heidelberg, Germany. [Konthur, Zoltan; Sievert, Volker] Max Planck Inst Mol Genet, D-14195 Berlin, Germany. [Landegren, Ulf] Uppsala Univ, Dept Genet & Pathol, S-75185 Uppsala, Sweden. [Stoevesandt, Oda; Taussig, Michael J.] Babraham Biosci Technol Ltd, Cambridge CB22 3AT, England. [Ueffing, Marius] Res Ctr Environm Hlth, Dept Prot Sci, Helmholtz Zentrum Munchen, D-85764 Neuherberg, Germany. [van der Maarel, Silvere] Leiden Univ, Med Ctr, NL-2300 RC Leiden, Netherlands. [Wingren, Christer] Lund Univ, Dept Immunotechnol, SE-22184 Lund, Sweden. [Woollard, Peter] GlaxoSmithKline Inc, Harlow CM19 5AW, Essex, England. [Borrebaeck, Carl A. K.] Lund Univ, BMC D13, Dept Immunotechnol, CREATE Hlth, Lund, Sweden. RP Gloriam, DE (reprint author), European Bioinformat Inst, Wellcome Trust Genome Campus, Cambridge CB10 1SD, England. RI Sievert, Volker/F-8432-2010; Gloriam, David/A-1904-2011; martel, celine/M-9779-2014; Bertinetti, Daniela/B-5655-2015; Herberg, Friedrich/B-5572-2015; Konthur, Zoltan/E-4575-2010; Bourbeillon, Julie/N-4832-2015 OI Gibson, Toby James/0000-0003-0657-5166; Orchard, Sandra/0000-0002-8878-3972; Hermjakob, Henning/0000-0001-8479-0262; Bradbury, Andrew/0000-0002-5567-8172; Dubel, Stefan/0000-0001-8811-7390; Gloriam, David/0000-0002-4299-7561; Kerrien, Samuel/0000-0002-3013-0469; martel, celine/0000-0002-1800-4558; Herberg, Friedrich/0000-0001-7117-7653; Konthur, Zoltan/0000-0002-8767-9823; Bourbeillon, Julie/0000-0002-3365-1286 FU ProteomeBinders European Commission (EC) [RI-CA 026008]; EC [21211]; European Science Foundation FX This work was authored, in whole or in part, by National Institutes of Health staff. This work was supported by the ProteomeBinders European Commission (EC) FP6 research infrastructures coordination action (Grant RI-CA 026008) and the EC FP7 Biobanking and Biomolecular Resource Infrastructure (Grant Agreement 21211) within WP4.; The on-line version of this article (available at http://www.mcponline.org) contains supplemental data 1-7.; Additionally supported by the European Science Foundation and its functional genomics program in the form of a postdoctoral fellowship. To whom correspondence should be addressed. Tel.: 46703148390; Fax: 4535336040; E-mail: par@psidev.info. NR 21 TC 23 Z9 23 U1 0 U2 3 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 JAN PY 2010 VL 9 IS 1 BP 1 EP 10 DI 10.1074/mcp.M900185-MCP200 PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 568EV UT WOS:000275505900001 PM 19674966 ER PT J AU Parkhill, JA Head-Gordon, M AF Parkhill, John A. Head-Gordon, Martin TI A sparse framework for the derivation and implementation of fermion algebra SO MOLECULAR PHYSICS LA English DT Article DE symbolic computation; coupled-cluster; complete active space; perfect pairing ID COUPLED-CLUSTER THEORY; BODY PERTURBATION THEORIES; TENSOR CONTRACTION ENGINE; CONFIGURATION-INTERACTION; ELECTRON CORRELATION; ANALYTIC GRADIENTS; LOCAL TREATMENT; CCSDT MODEL; ORDER; EXCITATIONS AB Algorithms useful in the construction of electron correlation models are collected alongside new developments for cases of high rank and sparsity. In the first part of this paper a Brandow diagram manipulation program is presented. The complementary second section describes a general-rank sparse contraction algorithm which exploits the permutational symmetries of many-fermion quantities. Several recently published local correlation models ( perfect quadruples and perfect hextuples) were built using these codes. This paper should facilitate reproduction and extension of high-rank electron correlation models that combine truncation by level of substitution with truncation by locality, such as the number of entangled electron pairs. C1 [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU U. S. Department of Energy [DE-AC0376SF00098]; SciDac Program FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U. S. Department of Energy under Contract DE-AC0376SF00098, and by a grant from the SciDac Program. NR 55 TC 13 Z9 13 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 3-4 SI SI BP 513 EP 522 DI 10.1080/00268971003662896 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 576DQ UT WOS:000276124900027 ER PT J AU Sivakumar, P McRaven, CP Rupasinghe, PM Yang, TZ Shafer-Ray, NE Sears, TJ Hall, GE AF Sivakumar, P. McRaven, C. P. Rupasinghe, P. M. Yang, T. Zh. Shafer-Ray, N. E. Sears, Trevor J. Hall, Gregory E. TI Pseudo-continuous resonance enhanced multiphoton ionisation: application to the determination of the hyperfine constants of (PbF)-Pb-208-F-19 SO MOLECULAR PHYSICS LA English DT Article DE REMPI; electron dipole moment; precision spectroscopy; hyperfine constants ID PBF MOLECULE; P-ODD; SPECTRUM; STATES; SPECTROSCOPY; TRANSITIONS; PBCL AB A highly efficient pseudo continuous resonance enhanced multiphoton ionisation detection scheme is presented that combines the sensitivity of resonance enhanced multiphoton ionisation (REMPI) with high resolution. This detection scheme is employed to obtain the A(nu' = 1) <- X-1(nu = 0) spectra of (PbF)-Pb-208-F-19 with a resolution of 90 MHz. The observed F-19 hyperfine splittings are analysed in terms of effective hyperfine parameters that describe the interaction between the fluorine nuclear spin and that of the unpaired electron in the A and X-1 states of the molecule. C1 [Sivakumar, P.; McRaven, C. P.; Rupasinghe, P. M.; Yang, T. Zh.; Shafer-Ray, N. E.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA. [Sears, Trevor J.; Hall, Gregory E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Shafer-Ray, NE (reprint author), Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA. EM shaferry@physics.ou.edu RI Hall, Gregory/D-4883-2013; Sears, Trevor/B-5990-2013 OI Hall, Gregory/0000-0002-8534-9783; Sears, Trevor/0000-0002-5559-0154 FU Department of Energy [DOE-07ER46361]; Brookhaven National Laboratory [DE-AC02-98CH10886]; Division of Chemical Sciences, Geosciences, Biosciences FX We acknowledge support of the Department of Energy EPSCoR program (DOE-07ER46361.) Work by GEH and TJS at Brookhaven National Laboratory was performed under Contract No. DE-AC02-98CH10886 with the US Department of Energy and supported by its Division of Chemical Sciences, Geosciences, & Biosciences. We would also like to thank M. G. Kozlov, A. N. Petrov, and A. Titov. As we were correcting the proofs to this document, these workers brought to our attention a sign error in references 22 and 23 that carried over to reference 10. Their timely intervention prevented this sign error from carrying over to this work as well. NR 29 TC 7 Z9 7 U1 1 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 7-9 SI SI BP 927 EP 935 DI 10.1080/00268970903567304 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 602AN UT WOS:000278110600011 ER PT J AU Goulay, F Nemes, L Schrader, PE Michelsen, HA AF Goulay, Fabien Nemes, Laszlo Schrader, Paul E. Michelsen, Hope A. TI Spontaneous emission from C-2(d (3)Pi g) and C-3(A (1)Pi(u)) during laser irradiation of soot particles SO MOLECULAR PHYSICS LA English DT Article DE C2; Swan; C3; Swings; soot; LII; emission ID FRAGMENTATION FLUORESCENCE SPECTROSCOPY; INDUCED INCANDESCENCE MEASUREMENTS; OPTICAL-EMISSION; TEMPERATURE-MEASUREMENTS; DIAMOND DEPOSITION; DIFFUSION FLAME; CARBON PLASMA; SWAN BANDS; NONTHERMAL FRAGMENTATION; PHOTOCHEMICAL FORMATION AB In order to investigate the contribution of non-thermal processes to laser-induced vaporization of soot, we have recorded temporally and spectrally resolved emission from C-2(d (3)Pi(g)-a (3)Pi(u); Swan system) and C-3(A (1)Pi(u)-X (1)Sigma(+)(g); Swings system) following laser irradiation of soot at 532 and 1064 nm over a wide range of laser fluences. We compared the measured spectra with simulated spectra from C-2-Swan and C-3-Swings emission to gain new insight into the formation mechanism of the excited species. This comparison shows that the vibrational and rotational energy distributions of the nascent C-2(d (3)Pi(g)) and C-3(A (1)Pi(u)) depend strongly on laser wavelength and are not in local thermodynamic equilibrium with the soot. These results suggest non-thermal ejection of highly excited C-2(d (3)Pi(g)) and C-3(A (1)Pi(u)) from the particle surface. Multi-photon laser-induced fluorescence from thermally sublimed C-2(a (3)Pi(u)) and C-3(X (1)Sigma(+)(g)) is unlikely to be the source of the observed emission. This work provides fluence thresholds at 532 and 1064 nm for the appearance of spontaneous emission from C-2(d (3)Pi(g)) and C-3(A (1)Pi(u)) with sufficient intensity to be observable in the presence of laser-induced incandescence from soot and emphasizes the importance of non-thermal vaporization processes during laser irradiation of soot. C1 [Goulay, Fabien; Schrader, Paul E.; Michelsen, Hope A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Nemes, Laszlo] Hungarian Acad Sci, Chem Res Ctr, Budapest, Hungary. RP Michelsen, HA (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM hamiche@sandia.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy FX This paper is dedicated to Prof. Zare, the ever-inspiring teacher, Dr. R. N. Zare, the enthusiastic, brilliant, and tireless scientist, Dick, our friend, colleague, and mentor, and Richie, the birthday boy who has never lost the playfulness and joy of new discoveries. This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. NR 127 TC 12 Z9 12 U1 1 U2 24 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 7-9 SI SI BP 1013 EP 1025 DI 10.1080/00268971003627824 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 602AN UT WOS:000278110600019 ER PT J AU Lucchese, RR Montuoro, R Kotsis, K Tashiro, M Ehara, M Bozek, JD Das, A Landry, A Rathbone, J Poliakoff, ED AF Lucchese, Robert R. Montuoro, Raffaele Kotsis, Konstantinos Tashiro, Motomichi Ehara, Masahiro Bozek, John D. Das, Aloke Landry, April Rathbone, Jeff Poliakoff, E. D. TI The effect of vibrational motion on the dynamics of shape resonant photoionization of BF3 leading to the E(2)A(1)' state of BF3+ SO MOLECULAR PHYSICS LA English DT Article DE molecular photoionization; shape resonance ID RAY ABSORPTION-SPECTRA; GAUSSIAN-BASIS SETS; CORRELATED MOLECULAR CALCULATIONS; THRESHOLD PHOTOELECTRON-SPECTRA; ANGLE-RESOLVED PHOTOELECTRON; K-SHELL PHOTOIONIZATION; BORON TRIHALIDES; CROSS-SECTIONS; EXCITED-STATES; ELECTRON-SCATTERING AB We present the results of an experimental and theoretical investigation of vibrationally resolved valence shell photoionization of BF3 leading to the E(2)A(1)' state of BF3+, where vibronic coupling and shape resonances are known to be important. The experimental vibrational branching ratios for multiple quantum excitations of the symmetric stretching mode of the ion nu(+)(1) as well as for the single vibrational excitation of the asymmetric stretching mode nu(+)(3) are compared with the predictions of single-channel Schwinger variational calculations performed within the Chase adiabatic approximation to obtain vibrational-state specific cross sections. The presence of a shape resonance in the continuum of e' symmetry is seen to lead to significant non-Franck-Condon intrachannel vibronic coupling effects. The breakdown in the Franck-Condon approximation is due to the sensitivity to the asymmetric stretching mode of the energy of the resonance and the magnitude of the transition moment for exciting the resonance. However, there are indications that interchannel vibronic coupling effects may also be significant in this system. C1 [Lucchese, Robert R.; Montuoro, Raffaele; Kotsis, Konstantinos] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. [Tashiro, Motomichi; Ehara, Masahiro] Inst Mol Sci, Res Ctr Computat Sci, Okazaki, Aichi 4448585, Japan. [Bozek, John D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Das, Aloke; Landry, April; Rathbone, Jeff; Poliakoff, E. D.] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. RP Lucchese, RR (reprint author), Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. EM lucchese@mail.chem.tamu.edu RI Tashiro, Motomichi/B-2699-2010; Bozek, John/E-4689-2010; Bozek, John/E-9260-2010; Lucchese, Robert/O-4452-2014 OI Tashiro, Motomichi/0000-0001-6039-4118; Bozek, John/0000-0001-7486-7238; Lucchese, Robert/0000-0002-7200-3775 FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy; Robert A. Welch Foundation [A-1020]; Texas AM University FX EDP and RRL acknowledge that this work was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U. S. Department of Energy. RRL acknowledges the support of the Robert A. Welch Foundation under grant A-1020. This work was also supported by the Texas A&M University Supercomputing Facility. NR 74 TC 2 Z9 2 U1 2 U2 11 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 7-9 SI SI BP 1055 EP 1067 DI 10.1080/00268971003641866 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 602AN UT WOS:000278110600023 ER PT J AU Hancock, G Richmond, G Ritchie, GAD Taylor, S Costen, ML Hall, GE AF Hancock, Gus Richmond, Graham Ritchie, Grant A. D. Taylor, Sarah Costen, Matthew L. Hall, Gregory E. TI Frequency modulated circular dichroism spectroscopy: application to ICN photolysis SO MOLECULAR PHYSICS LA English DT Article DE ICN; photodissociation; orientation; angular momentum; coherent ID POTENTIAL-ENERGY SURFACES; CHANNEL SCATTERING CALCULATIONS; ANGULAR-MOMENTUM POLARIZATION; A-BAND PHOTODISSOCIATION; 266 NM PHOTOLYSIS; PHOTOFRAGMENT SPECTROSCOPY; ROTATIONAL DISTRIBUTIONS; ABSORPTION-SPECTROSCOPY; FM SPECTROSCOPY; CN AB CN photofragments produced in the 248 nm photolysis of ICN are characterised by frequency-modulated absorption spectroscopy in the red A(2)Pi <- X-2 Sigma(+) system. A range of high rotational states in both nu = 0 and nu = 1 were selected to isolate only those dissociation channels including coincident ground state I(P-2(3/2)). Velocity-resolved alignment and orientation parameters are determined from the observed Doppler profiles. The alignment measurements for both nu = 0 and nu = 1 levels are very similar, and consistent with dissociation occurring via three distinct pathways, beginning with simultaneous excitation of the 4A'((3)Pi(0+)), 5A'((1)Pi(1)) and 5A ''((1)Pi(1)) surfaces. While the incoherent alignment parameters for both nu = 0 and nu = 1 products are similar, the corresponding coherent orientation parameters are markedly different. CN (nu = 0, N) exhibits a large positive orientation, whereas all rotational states probed in nu = 1 show a much smaller orientation. This is consistent with the previously observed change in the sign of the coherent orientation parameter between nu = 0 and nu = 2. C1 [Hancock, Gus; Richmond, Graham; Ritchie, Grant A. D.; Taylor, Sarah] Univ Oxford, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England. [Costen, Matthew L.] Heriot Watt Univ, Sch Engn & Phys Sci, Edinburgh EH14 4AS, Midlothian, Scotland. [Hall, Gregory E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Ritchie, GAD (reprint author), Univ Oxford, Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England. EM grant.ritchie@chem.ox.ac.uk RI Hall, Gregory/D-4883-2013; Costen, Matthew/K-5178-2012; OI Hall, Gregory/0000-0002-8534-9783; Costen, Matthew/0000-0002-6491-9812; Richmond, Graham/0000-0003-2999-5067 FU EPSRC [EP/G00224X/1]; Leverhulme Trust; Royal Society; NERC; Division of Chemical Sciences, Geosciences, & Biosciences of the US Department of Energy; Research Councils UK FX This work was supported by the EPSRC programme grant EP/G00224X/1: New Horizons in Chemical and Photochemical Dynamics and by the Leverhulme Trust (GR). GADR is grateful to the Royal Society for a University Research Fellowship and ST is grateful to NERC for the award of a studentship. Work by GEH at Brookhaven National Laboratory was supported by the Division of Chemical Sciences, Geosciences, & Biosciences of the US Department of Energy. MLC thanks the Research Councils UK for an Academic Fellowship. We would also like to acknowledge the help of Alex Wilbur with aspects of the error analysis programming. NR 50 TC 3 Z9 3 U1 0 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0026-8976 EI 1362-3028 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 7-9 SI SI BP 1083 EP 1095 DI 10.1080/00268971003649323 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 602AN UT WOS:000278110600025 ER PT J AU Haber, LH Doughty, B Leone, SR AF Haber, Louis H. Doughty, Benjamin Leone, Stephen R. TI Time-resolved photoelectron angular distributions and cross-section ratios of two-colour two-photon above threshold ionization of helium SO MOLECULAR PHYSICS LA English DT Article DE high-order harmonic generation; above threshold ionization; time-resolved velocity map imaging ID ATTOSECOND; SCATTERING; PULSES; ARGON; WAVE AB Time-resolved anisotropy parameters and cross-section ratios of the positive and negative sidebands from two-colour two-photon above threshold ionization of helium atoms are measured using photoelectron velocity map imaging with the selected 19th high-order harmonic at 29.1 eV in an 810 nm perturbative dressing field. The intensities of both the sidebands and the single-photon ionization depletion follow a Gaussian correlation function where the photoelectron angular distributions and cross-section ratios of the sidebands do not change as a function of the temporal delay between the extreme ultraviolet and infrared pulses. The experimental results are compared with theoretical predictions using the soft-photon approximation, showing poor agreement, and analytical expressions are derived using second-order perturbation theory to determine the relative magnitudes of the resulting S and D partial waves of the above threshold ionization features. C1 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 Haber, LH (reprint author), Columbia Univ, Dept Chem, New York, NY 10027 USA. EM lh2485@columbia.edu RI Haber, Louis/A-6762-2013; Doughty, Benjamin /M-5704-2016 OI Doughty, Benjamin /0000-0001-6429-9329 FU U.S. Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank Daniel Strasser for many helpful discussions. The authors gratefully acknowledge financial support by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, U.S. Department of Energy under contract No. DE-AC02-05CH11231. NR 27 TC 11 Z9 11 U1 1 U2 13 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 7-9 SI SI BP 1241 EP 1251 DI 10.1080/00268976.2010.483133 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 602AN UT WOS:000278110600035 ER PT J AU Clark, GNI Cappa, CD Smith, JD Saykally, RJ Head-Gordon, T AF Clark, Gary N. I. Cappa, Christopher D. Smith, Jared D. Saykally, Richard J. Head-Gordon, Teresa TI INVITED TOPICAL REVIEW The structure of ambient water SO MOLECULAR PHYSICS LA English DT Review DE x-ray and neutron scattering; x-ray absorption and emission spectroscopy; mixture and continuum models; empirical and ab initio theory ID X-RAY-SCATTERING; HYDROGEN-BOND NETWORK; ENHANCED DENSITY-FLUCTUATIONS; RADIAL-DISTRIBUTION FUNCTIONS; NEUTRON-DIFFRACTION DATA; LIQUID WATER; SUPERCOOLED WATER; MOLECULAR-DYNAMICS; ABSORPTION SPECTROSCOPY; EMISSION SPECTROSCOPY AB We review the spectroscopic techniques and scattering experiments used to probe the structure of water, and their interpretation using empirical and ab initio models, over the last 5 years. We show that all available scientific evidence overwhelmingly favors the view of classifying water near ambient conditions as a uniform, continuous tetrahedral liquid. While there are controversial issues in our understanding of water in the supercooled state, in confinement, at interfaces, or in solution, there is no real controversy in what is understood as regards bulk liquid water under ambient conditions. C1 [Clark, Gary N. I.; Head-Gordon, Teresa] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Cappa, Christopher D.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. [Smith, Jared D.; Saykally, Richard J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Head-Gordon, Teresa] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Saykally, Richard J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Head-Gordon, T (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. EM tlhead-gordon@lbl.gov RI Head-Gordon, Teresa/E-5818-2011 FU NSF; Department of Energy FX GNIC and THG thank the NSF Cyberinfrastructure program, and GLH thanks the Department of Energy, for support of the work presented here. We also thank the National Energy Research Scientific Computing Center for computational resources. THG thanks Jose Teixeira and Alan Soper for helpful discussions. We thank the reviewer for the thermodynamic argument about hydrogen-bond strength. We also thank Valeria Molinero and Francesco Paesani for the data presented in Figures 7 and 8. NR 128 TC 109 Z9 112 U1 5 U2 82 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 11 BP 1415 EP 1433 DI 10.1080/00268971003762134 PG 19 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 616BL UT WOS:000279182700001 ER PT J AU Ko, YJ Wang, HP Radisic, D Stokes, ST Eustis, SN Bowen, KH Mazurkiewicz, K Storoniak, P Kowalczyk, A Haranczyk, M Gutowski, M Rak, J AF Ko, Yeon Jae Wang, Haopeng Radisic, Dunja Stokes, Sarah T. Eustis, Soren N. Bowen, Kit H. Mazurkiewicz, Kamil Storoniak, Piotr Kowalczyk, Arkadiusz Haranczyk, Maciej Gutowski, Maciej Rak, Janusz TI Barrier-free proton transfer induced by electron attachment to the complexes between 1-methylcytosine and formic acid SO MOLECULAR PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Molecular Quantum Mechanics CY MAY 24-29, 2010 CL Univ California, Berkeley, CA SP Dell Computer, Hewlett-Packard, Virginia Tech Coll Sci, Q-Chem Inc, Amer Inst Phys HO Univ California DE anion photoelectron spectroscopy; barrier-free proton transfer ID HYDROGEN-BONDED COMPLEXES; MOLECULAR-ORBITAL METHODS; LOW-ENERGY ELECTRONS; GAUSSIAN-TYPE BASIS; CYTOSINE BASE-PAIR; DNA STRAND BREAKS; EXCESS ELECTRON; VALENCE ANIONS; AB-INITIO; PHOTOELECTRON-SPECTROSCOPY AB We report the photoelectron spectra of anionic complexes between 1-methylcytosine (mC) and formic acid (FA) in 1 : 1 and 1:2 stoichiometries that have been measured with 2.54 eV photons. Each spectrum consists of a broad peak with maxima at 1.85 and 2.1 eV, respectively, confirming the generation of stable valence anions in the gas phase. The neutral and anionic complexes of mC(FA) and mC(FA)2 were also studied computationally at the B3LYP, second-order MOller-Plesset, and coupled-cluster levels of theory with the 6-31++G** and aug-cc-pVDZ basis sets. Based on the calculations, we conclude that the photoelectron spectra of mC(FA)- and [image omitted] are due to anions that originate from a barrier-free proton transfer (BFPT) triggered by excess electron attachment. They can be viewed as neutral radicals of hydrogenated 1-methylcytosine solvated by a deprotonated formic acid. C1 [Ko, Yeon Jae; Wang, Haopeng; Radisic, Dunja; Stokes, Sarah T.; Eustis, Soren N.; Bowen, Kit H.] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. [Mazurkiewicz, Kamil; Storoniak, Piotr; Kowalczyk, Arkadiusz; Rak, Janusz] Univ Gdansk, Dept Chem, PL-80952 Gdansk, Poland. [Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. [Gutowski, Maciej] Heriot Watt Univ, Chem Sch Engn & Phys Sci, Edinburgh EH14 4AS, Midlothian, Scotland. RP Bowen, KH (reprint author), Johns Hopkins Univ, Dept Chem, Charles & 34th St, Baltimore, MD 21218 USA. EM kbowen@jhu.edu RI Eustis, Soren/F-1911-2011; Wang, Haopeng/M-4833-2013; Haranczyk, Maciej/A-6380-2014 OI Wang, Haopeng/0000-0002-0398-6405; Haranczyk, Maciej/0000-0001-7146-9568 NR 86 TC 5 Z9 5 U1 1 U2 15 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 19-20 SI SI BP 2621 EP 2631 AR PII 926574364 DI 10.1080/00268976.2010.515623 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 675YQ UT WOS:000283877300020 ER PT J AU Gidofalvi, G Shepard, R AF Gidofalvi, Gergely Shepard, Ron TI Exploiting sparsity in the graphically contracted function configuration interaction method SO MOLECULAR PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Molecular Quantum Mechanics CY MAY 24-29, 2010 CL Univ California, Berkeley, CA SP Dell Computer, Hewlett-Packard, Virginia Tech Coll Sci, Q-Chem Inc, Amer Inst Phys HO Univ California DE graphically contracted function (GCF) method; orbital-level Hamiltonian; configuration interaction; graphical unitary group approach (GUGA) ID UNITARY-GROUP APPROACH; ELECTRON CORRELATION-PROBLEM; NONLINEAR-WAVE FUNCTIONS; MATRIX; ALGORITHM; EIGENVECTORS; EIGENVALUES; LOWEST AB Within the graphically contracted function configuration interaction method, the wave function and energy depend on a set of nonlinear variables known as arc factors. In previous work, an efficient algorithm for computing the energy gradient with respect to these variables has been presented. In this work we discuss further improvements of the algorithm by exploiting the sparsity of the orbital-level Hamiltonian matrices. For large wave function expansions, the new algorithm is faster and requires significantly less storage than the previous implementation. In addition, the implementation of a generalized Davidson method for computing optimal arc factors within a given orbital level is discussed. Although the orbital-level Hamiltonian matrices are in general not diagonally dominant, the iterative solver converges in a reasonable number of iterations and is several orders of magnitude faster than standard diagonalization methods. C1 [Gidofalvi, Gergely; Shepard, Ron] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Shepard, R (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM shepard@tcg.anl.gov NR 42 TC 8 Z9 8 U1 0 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 19-20 SI SI BP 2717 EP 2724 AR PII 927349722 DI 10.1080/00268976.2010.521779 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 675YQ UT WOS:000283877300027 ER PT J AU Bell, F Lambrecht, DS Head-Gordon, M AF Bell, F. Lambrecht, D. S. Head-Gordon, M. TI Higher order singular value decomposition in quantum chemistry SO MOLECULAR PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Molecular Quantum Mechanics CY MAY 24-29, 2010 CL Univ California, Berkeley, CA SP Dell Computer, Hewlett-Packard, Virginia Tech Coll Sci, Q-Chem Inc, Amer Inst Phys HO Univ California DE higher order sigular value decomposition; natural orbitals; active spaces; reduced rank separability ID COUPLED-CLUSTER; DIMENSIONALITY REDUCTION; PRODUCT APPROXIMATION; MOLECULAR ORBITALS; COMPONENT ANALYSIS; MULTIWAY ANALYSIS; WAVE-FUNCTIONS; TENSORS; POTENTIALS; ALGORITHMS AB Higher order singular value decomposition is studied in the context of quantum chemistry, with particular focus on the decomposition of the T2 amplitudes obtained from second order MOller Plesset perturbation (MP2) theory calculations. Our test calculations reveal that HOSVD transformed amplitudes yield considerably faster convergence in MP2 correlation energy, both in terms of amplitude and orbital truncation. Also, HOSVD orbitals display increased bonding/antibonding character compared to Hartree-Fock orbitals. In contrast to canonical MP2 theory, the leading amplitudes are those between corresponding occupied-virtual orbital pairs. The HOSVD orbitals are paired up automatically around the Fermi level in decreasing importance, so that the strongest occupied virtual-pair are the highest occupied molecular orbital and lowest unoccupied molecular orbital. We show that in the case of MP2 amplitudes, the HOSVD orbitals are equivalent to the unrelaxed MP2 natural orbitals. The least squares higher order orthogonal iteration algorithm yields only minor improvements over the sub-optimal truncated orbital space obtained from the HOSVD. C1 [Bell, F.; Lambrecht, D. S.; Head-Gordon, M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Bell, F.; Head-Gordon, M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu NR 61 TC 16 Z9 16 U1 2 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 19-20 SI SI BP 2759 EP 2773 AR PII 927916299 DI 10.1080/00268976.2010.523713 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 675YQ UT WOS:000283877300032 ER PT J AU Liu, FL Gan, ZT Shao, YH Hsu, CP Dreuw, A Head-Gordon, M Miller, BT Brooks, BR Yu, JG Furlani, TR Kong, J AF Liu, Fenglai Gan, Zhengting Shao, Yihan Hsu, Chao-Ping Dreuw, Andreas Head-Gordon, Martin Miller, Benjamin T. Brooks, Bernard R. Yu, Jian-Guo Furlani, Thomas R. Kong, Jing TI A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm-Dancoff approximation SO MOLECULAR PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Molecular Quantum Mechanics CY MAY 24-29, 2010 CL Univ California, Berkeley, CA SP Dell Computer, Hewlett-Packard, Virginia Tech Coll Sci, Q-Chem Inc, Amer Inst Phys HO Univ California DE excited states; time-dependent density functional theory; analytical gradient; density functional theory ID EXCITED-STATES; EXCITATION-ENERGIES; LINEAR-RESPONSE; DERIVATIVES; EXCHANGE; SET AB We derived the analytic gradient for the excitation energies from a time-dependent density functional theory calculation within the Tamm-Dancoff approximation (TDDFT/TDA) using Gaussian atomic orbital basis sets, and introduced an efficient serial and parallel implementation. Some timing results are shown from a B3LYP/6-31G**/SG-1-grid calculation on zincporphyrin. We also performed TDDFT/TDA geometry optimizations for low-lying excited states of 20 small molecules, and compared adiabatic excitation energies and optimized geometry parameters to experimental values using the B3LYP and B97 functionals. There are only minor differences between TDDFT and TDA optimized excited state geometries and adiabatic excitation energies. Optimized bond lengths are in better agreement with experiment for both functionals than either CC2 or SOS-CIS(D0), while adiabatic excitation energies are in similar or slightly poorer agreement. Optimized bond angles with both functionals are more accurate than CIS values, but less accurate than either CC2 or SOS-CIS(D0) ones. C1 [Gan, Zhengting; Shao, Yihan; Kong, Jing] Q Chem Inc, Pittsburgh, PA 15213 USA. [Liu, Fenglai; Yu, Jian-Guo] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China. [Liu, Fenglai; Furlani, Thomas R.; Kong, Jing] SUNY Buffalo, Ctr Computat Res, Buffalo, NY 14260 USA. [Shao, Yihan; Miller, Benjamin T.; Brooks, Bernard R.] NHLBI, Lab Computat Biol, NIH, Bethesda, MD 20892 USA. [Hsu, Chao-Ping] Acad Sinica, Inst Chem, Taipei 115, Taiwan. [Dreuw, Andreas] Goethe Univ Frankfurt, Inst Phys & Theoret Chem, D-60439 Frankfurt, Germany. [Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Shao, YH (reprint author), Q Chem Inc, Pittsburgh, PA 15213 USA. EM yihan.shao@gmail.com; jkong@q-chem.com RI Hsu, Chao-Ping/E-1303-2011; Fachbereich14, Dekanat/C-8553-2015; OI Hsu, Chao-Ping/0000-0002-7187-427X; Miller, Benjamin/0000-0003-1647-0122 NR 34 TC 30 Z9 30 U1 1 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 19-20 SI SI BP 2791 EP 2800 AR PII 929126725 DI 10.1080/00268976.2010.526642 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 675YQ UT WOS:000283877300034 ER PT J AU Taube, AG AF Taube, Andrew G. TI Alternative perturbation theories for triple excitations in coupled-cluster theory SO MOLECULAR PHYSICS LA English DT Article DE coupled-cluster theory; perturbation; bond breaking; triple excitations; quasidegeneracy ID FULL CONFIGURATION-INTERACTION; MOLECULAR ELECTRONIC-STRUCTURE; WAVE-FUNCTIONS; DOUBLES METHOD; BASIS SETS; POLARIZATION FUNCTIONS; EXCITED CLUSTERS; GENERAL-THEORY; CCSDT MODEL; ENERGIES AB The dominant method of small molecule quantum chemistry over the last twenty years is CCSD(T). Despite this success, RHF-based CCSD(T) fails for systems away from equilibrium. Work over the last ten years has lead to modifications of CCSD(T) that improve the description of bond breaking. These new methods include CCSD(T), CCSD(2)T, CCSD(2) and CR-CC(2,3), which are new perturbative corrections to single-reference CCSD. We present a unified derivation of these methods and compare them at the level of formal theory and computational accuracy. None of the methods is clearly superior, although formal considerations favour CCSD(T) and computational accuracy for the systems considered favours CR-CC(2,3). C1 [Taube, Andrew G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Taube, AG (reprint author), DE Shaw Res, New York, NY USA. EM Andrew.Taube@DEShawResearch.com FU United States Department of Energy [DE-AC04-94AL85000]; John von Neumann Post-Doctoral Research Fellowship at Sandia FX AGT would like to thank support through the John von Neumann Post-Doctoral Research Fellowship in Computational Science at Sandia. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94AL85000. AGT would also like to thank Professors Rodney J. Bartlett and Samuel B. Trickey for inviting him to contribute to this issue, as well as all of the Quantum Theory Project for his time spent there and interactions since. NR 64 TC 11 Z9 11 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2010 VL 108 IS 21-23 SI SI BP 2951 EP 2960 AR PII 926970124 DI 10.1080/00268976.2010.505210 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 685NJ UT WOS:000284635100016 ER PT J AU Inoglu, N Kitchin, JR AF Inoglu, Nilay Kitchin, John R. TI New solid-state table: estimating d-band characteristics for transition metal atoms SO MOLECULAR SIMULATION LA English DT Article; Proceedings Paper CT 24th European Photovoltaic Solar Energy Conference CY SEP 21-25, 2009 CL Hamburg, GERMANY DE electronic structure modification; ligand; strain; d-band width formalism; solid-state table ID SURFACE ALLOYS; REACTIVITY; PSEUDOPOTENTIALS; CATALYSIS AB A tight-binding model parameterised by a database of density functional theory calculations is presented and used to estimate the d-band characteristics of bulk systems as well as mono- and bimetallic surface structures. The model incorporates the effects of both electronic and geometric contributions. A d-band width formalism relating surface reactivity with the surface electronic structure is presented and it is shown that the proposed model can be used to estimate the surface electronic structure as well as to explain trends in catalytic properties of metal and alloy surfaces in terms of surface and adsorbate orbital properties. C1 [Inoglu, Nilay; Kitchin, John R.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Kitchin, John R.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Kitchin, JR (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM jkitchin@andrew.cmu.edu RI Kitchin, John/A-2363-2010 OI Kitchin, John/0000-0003-2625-9232 NR 18 TC 19 Z9 19 U1 1 U2 16 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 J9 MOL SIMULAT JI Mol. Simul. PY 2010 VL 36 IS 7-8 SI SI BP 633 EP 638 DI 10.1080/08927022.2010.481794 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 634MN UT WOS:000280586200015 ER PT J AU Glotzer, SC Fuchs, AH Okazaki, S Moore, J Cummings, PT AF Glotzer, Sharon C. Fuchs, Alain H. Okazaki, Susumu Moore, Jonathan Cummings, Peter T. TI Fourth International Conference on the Foundations of Molecular Modeling and Simulation (FOMMS 2009) Foreword SO MOLECULAR SIMULATION LA English DT Editorial Material C1 [Glotzer, Sharon C.] Univ Michigan, Ann Arbor, MI 48109 USA. [Fuchs, Alain H.] Ecole Natl Super Chim Paris, Paris, France. [Okazaki, Susumu] Tokyo Inst Technol Nagatsuta, Tokyo, Japan. [Moore, Jonathan] Dow Chem Co USA, Midland, MI 48674 USA. [Cummings, Peter T.] Vanderbilt Univ, Nashville, TN 37203 USA. [Cummings, Peter T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Glotzer, SC (reprint author), Univ Michigan, Ann Arbor, MI 48109 USA. RI Cummings, Peter/B-8762-2013 OI Cummings, Peter/0000-0002-9766-2216 NR 0 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 J9 MOL SIMULAT JI Mol. Simul. PY 2010 VL 36 IS 15 SI SI BP 1196 EP 1196 AR PII 931092381 DI 10.1080/08927022.2010.534898 PG 1 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 695CT UT WOS:000285348900001 ER PT J AU Frise, E Hammonds, AS Celniker, SE AF Frise, Erwin Hammonds, Ann S. Celniker, Susan E. TI Systematic image-driven analysis of the spatial Drosophila embryonic expression landscape SO MOLECULAR SYSTEMS BIOLOGY LA English DT Article DE biological function; embryo; gene expression; in situ hybridization; Markov Random Field ID GENE-EXPRESSION; PROTEIN INTERACTIONS; FLY EMBRYOS; PATTERNS; DATABASE; MELANOGASTER; ANNOTATION; DIFFERENTIATION; INFORMATION; BLASTODERM AB Discovery of temporal and spatial patterns of gene expression is essential for understanding the regulatory networks and development in multicellular organisms. We analyzed the images from our large-scale spatial expression data set of early Drosophila embryonic development and present a comprehensive computational image analysis of the expression landscape. For this study, we created an innovative virtual representation of embryonic expression patterns using an elliptically shaped mesh grid that allows us to make quantitative comparisons of gene expression using a common frame of reference. Demonstrating the power of our approach, we used gene co-expression to identify distinct expression domains in the early embryo; the result is surprisingly similar to the fate map determined using laser ablation. We also used a clustering strategy to find genes with similar patterns and developed new analysis tools to detect variation within consensus patterns, adjacent non-overlapping patterns, and anti-correlated patterns. Of the 1800 genes investigated, only half had previously assigned functions. The known genes suggest developmental roles for the clusters, and identification of related patterns predicts requirements for co-occurring biological functions. Molecular Systems Biology 6: 345; published online 19 January 2010; doi:10.1038/msb.2009.102 C1 [Frise, Erwin; Hammonds, Ann S.; Celniker, Susan E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Genome Dynam, BDGP, Berkeley, CA 94720 USA. RP Frise, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Genome Dynam, BDGP, 1 Cyclotron Rd,MS64-121, Berkeley, CA 94720 USA. EM erwin@fruitfly.org FU NIH [R01 GM076655, DE-AC02-05CH11231] FX We especially thank Chris Bristow for a critical reading of the manuscript. We thank Ben Berman for help with pose_editor and for discussions leading to the domain map. In addition, we thank Amy Beaton, Catilin Barale, and Jackie Quinn for technical assistance, Seth Carbon for providing a script for extracting enriched GO terms from the Amigo web site and Bill Fisher and Richard Weiszmann for discussions. We also thank the anonymous reviewers for their constructive criticisms. This work was supported by the NIH Grant R01 GM076655 (SEC) through the US Department of Energy under contract no. DE-AC02-05CH11231. NR 46 TC 38 Z9 39 U1 0 U2 6 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1744-4292 J9 MOL SYST BIOL JI Mol. Syst. Biol. PD JAN PY 2010 VL 6 AR 345 DI 10.1038/msb.2009.102 PG 15 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 551FX UT WOS:000274193500002 PM 20087342 ER PT S AU Lall-Ramnarine, SI Hatcher, JL Castano, A Thomas, MF Wishart, JF AF Lall-Ramnarine, Sharon I. Hatcher, Jasmine L. Castano, Alejandra Thomas, Marie F. Wishart, James F. BE Fox, DM Mizuhata, M DeLong, HC Mantz, RA Trulove, PC TI Exploring the Effect of Structural Modification on the Physical Properties of Various Ionic Liquids SO MOLTEN SALTS AND IONIC LIQUIDS 17 SE ECS Transactions LA English DT Proceedings Paper CT 17th International Symposium on Molten Salts and Ionic Liquids as Part of the 218th Meeting of the Electrochemical-Society CY OCT 10-15, 2010 CL Las Vegas, NV SP Electrochem Soc (ECS), Phys & Analyt Electrochem (PAED), Electrodeposit, Energy Technol (ETD) ID HEAT-CAPACITIES; DYNAMICS AB A few classes of ionic liquids were synthesized and investigated for their physical properties as a function of structural variation. Bis(oxalato)borate (BOB) and bis(trifluoromethylsulfonyl)imide (NTf2) ionic liquids (ILs) containing pyridinium, 4-dimethylaminopyridinium (DMAP) and pyrrolidinium cations bearing alkyl, benzyl, hydroxyalkyl and alkoxy substituents, were prepared from the corresponding halide salts. The physical properties of the DMAP based ionic liquids including viscosity, conductivity and thermal profiles were compared to those of their unsubstituted pyridinium analogues. The properties of the BOB and NTf2 salts bearing similar cations were also compared. It was found that the DMAP salts were easier to synthesize and purify and have higher thermal decomposition points compared to their pyridinium and pyrrolidinium analogues. The BOB salts were found to be higher melting and more viscous than the NTf2 salts. The synthesis and physical properties of the various ILs are discussed. C1 [Lall-Ramnarine, Sharon I.] CUNY Queensborough Community Coll, Dept Chem, New York, NY 11364 USA. [Hatcher, Jasmine L.; Thomas, Marie F.; Wishart, James F.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Castano, Alejandra] CUNY Queens Coll, Dept Chem & Biochem, Flushing, NY 11367 USA. RP Lall-Ramnarine, SI (reprint author), CUNY Queensborough Community Coll, Dept Chem, New York, NY 11364 USA. RI Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 FU Office of Educational Programs at Brookhaven National Laboratory; Queensborough Bridge NSF STEP Research program; NSF Louis Stokes Alliance for Minority Participation program; U. S. DOE Division of Chemical Sciences, Geosciences, and Biosciences; Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors thank the Office of Educational Programs at Brookhaven National Laboratory, the Queensborough Bridge NSF STEP Research program and the NSF Louis Stokes Alliance for Minority Participation program for student internship support, and Dr. Tomasz Szreder for his generous assistance with these studies. This work was supported at BNL by the U. S. DOE Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences under contract # DE-AC02-98CH10886. NR 13 TC 1 Z9 1 U1 0 U2 5 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-176-2 J9 ECS TRANSACTIONS PY 2010 VL 33 IS 7 BP 659 EP 665 DI 10.1149/1.3484823 PG 7 WC Electrochemistry SC Electrochemistry GA BDK82 UT WOS:000313618000067 ER PT J AU Massey, R Stoughton, C Leauthaud, A Rhodes, J Koekemoer, A Ellis, R Shaghoulian, E AF Massey, Richard Stoughton, Chris Leauthaud, Alexie Rhodes, Jason Koekemoer, Anton Ellis, Richard Shaghoulian, Edgar TI Pixel-based correction for Charge Transfer Inefficiency in the Hubble Space Telescope Advanced Camera for Surveys SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE instrumentation: detectors; methods: data analysis; space vehicles: instruments ID DWARF SPHEROIDAL GALAXIES; PROPER MOTIONS; COSMOS; CCDS; IMAGES AB Charge Transfer Inefficiency (CTI) due to radiation damage above the Earth's atmosphere creates spurious trailing in Hubble Space Telescope (HST) images. Radiation damage also creates unrelated warm pixels - but these happen to be perfect for measuring CTI. We model CTI in the Advanced Camera for Surveys (ACS)/Wide Field Channel and construct a physically motivated correction scheme. This operates on raw data, rather than secondary science products, by returning individual electrons to pixels from which they were unintentionally dragged during readout. We apply our correction to images from the HST Cosmic Evolution Survey (COSMOS), successfully reducing the CTI trails by a factor of similar to 30 everywhere in the CCD and at all flux levels. We quantify changes in galaxy photometry, astrometry and shape. The remarkable 97 per cent level of correction is more than sufficient to enable a (forthcoming) reanalysis of downstream science products and the collection of larger surveys. C1 [Massey, Richard] Royal Observ, Edinburgh EH9 3HJ, Midlothian, Scotland. [Stoughton, Chris] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Leauthaud, Alexie] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys, Berkeley, CA 94720 USA. [Rhodes, Jason] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Rhodes, Jason; Ellis, Richard] CALTECH, Pasadena, CA 91125 USA. [Koekemoer, Anton] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Shaghoulian, Edgar] Stanford Univ, Stanford, CA 94305 USA. RP Massey, R (reprint author), Royal Observ, Blackford Hill, Edinburgh EH9 3HJ, Midlothian, Scotland. EM rm@roe.ac.uk OI Koekemoer, Anton/0000-0002-6610-2048 FU NASA [HST-AR-10964, HST-GO-09822, NAS 5-26555]; STFC [PP/E006450/1, MIRG-CT-208994]; Chamberlain Fellowship at LBNL; Berkeley Center for Cosmological Physics FX This work was based on the observations with the NASA/ESA HST, obtained at the Space Telescope Science Institute, which is operated by AURA Inc, under NASA contract NAS 5-26555. NR 43 TC 81 Z9 81 U1 1 U2 3 PU WILEY-BLACKWELL PUBLISHING, INC 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 JAN 1 PY 2010 VL 401 IS 1 BP 371 EP 384 DI 10.1111/j.1365-2966.2009.15638.x PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 534AE UT WOS:000272867100049 ER PT B AU Hakami, RM Alves, DA AF Hakami, Ramin Mollaaghababa Alves, Derron A. BE Tyring, SK Moore, AY Lupi, O TI Filoviruses: Pathology and Effects on the Innate Immune Response SO MUCOCUTANEOUS MANIFESTATIONS OF VIRAL DISEASES, 2ND EDITION LA English DT Article; Book Chapter ID EBOLA HEMORRHAGIC-FEVER; VIRUS-INFECTED PATIENTS; INFLAMMATORY RESPONSES; MARBURG VIRUS; DENDRITIC CELLS; RHESUS-MONKEYS; PATHOGENESIS; GLYCOPROTEINS; VACCINE; KIKWIT C1 [Hakami, Ramin Mollaaghababa] Oak Ridge Associated Univ, Fac Res Participat Program, Belcamp, MD 21017 USA. [Hakami, Ramin Mollaaghababa; Alves, Derron A.] US Army, Med Res Inst Infect Dis, Frederick, MD USA. RP Hakami, RM (reprint author), Oak Ridge Associated Univ, Fac Res Participat Program, Belcamp, MD 21017 USA. NR 48 TC 1 Z9 1 U1 0 U2 0 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL ST, LONDON, EC2A 4LQ, ENGLAND BN 978-1-4200-7313-3; 978-1-4200-7312-6 PY 2010 BP 368 EP 374 D2 10.3109/9781420073133 PG 7 WC Dermatology; Virology SC Dermatology; Virology GA BD6NE UT WOS:000362405300018 ER PT J AU Plechac, P Rousset, M AF Plechac, Petr Rousset, Mathias TI IMPLICIT MASS-MATRIX PENALIZATION OF HAMILTONIAN DYNAMICS WITH APPLICATION TO EXACT SAMPLING OF STIFF SYSTEMS SO MULTISCALE MODELING & SIMULATION LA English DT Article DE Hamiltonian systems; canonical ensemble (NVT); stiff dynamics; Langevin dynamics; constrained dynamics; hybrid Monte Carlo ID HYBRID MONTE-CARLO; MOLECULAR-DYNAMICS; BROWNIAN DYNAMICS; N-ALKANES; ALGORITHM; SIMULATION; CONSTRAINTS; INTEGRATORS; EQUATIONS; MOTION AB An implicit mass-matrix penalization (IMMP) of Hamiltonian dynamics is proposed, and associated dynamical integrators, as well as sampling Monte Carlo schemes, are analyzed for systems with multiple time scales. The penalization is based on an extended Hamiltonian with artificial constraints associated with some selected degrees of freedom (DOFs). The penalty parameters enable arbitrary tuning of time scales for the selected DOFs. The IMMP dynamics is shown to be an interpolation between the exact Hamiltonian dynamics and the dynamics with rigid constraints. This property translates in the associated numerical integrator into a tunable trade-off between stability and dynamical modification. A penalty that vanishes with the time step yields order two convergent schemes for the exact dynamics. Moreover, by construction, the resulting dynamics preserves the canonical equilibrium distribution in position variables, up to a computable geometric correcting potential. This leads to Metropolis-like unbiased sampling algorithms. The algorithms can be implemented with a simple modification of standard geometric integrators with algebraic constraints imposed on the selected DOFs and has no additional complexity in terms of enforcing the constraints and force evaluations. The properties of the IMMP method are demonstrated numerically on the N-alkane model, showing that the time step stability region of integrators and the sampling efficiency can be increased with a gain that grows with the size of the system. This feature is mathematically analyzed for a harmonic atomic chain model. When a large stiffness parameter is introduced, the IMMP method is shown to be asymptotically stable and to converge toward the heuristically expected Markovian effective dynamics on the slow manifold. C1 [Plechac, Petr] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. [Plechac, Petr] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Rousset, Mathias] INRIA Lille Nord Europe, Villeneuve Dascq, France. RP Plechac, P (reprint author), Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. EM plechac@math.utk.edu; mathias.rousset@inria.fr FU National Science Foundation [NSF-DMS-0813893]; Office of Advanced Scientific Computing Research, U. S. Department of Energy; Oak Ridge National Laboratory [DE-AC05-00OR22725] FX Department of Mathematics, University of Tennessee, Knoxville, TN 37996-1300 and Oak Ridge National Laboratory, Oak Ridge, TN 37831 (plechac@math.utk.edu). The research of this author was partially supported by the National Science Foundation under grant NSF-DMS-0813893 and by the Office of Advanced Scientific Computing Research, U. S. Department of Energy; the work was partly done at the Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC under contract DE-AC05-00OR22725. NR 41 TC 4 Z9 4 U1 1 U2 3 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1540-3459 J9 MULTISCALE MODEL SIM JI Multiscale Model. Simul. PY 2010 VL 8 IS 2 BP 498 EP 539 DI 10.1137/08072348X PG 42 WC Mathematics, Interdisciplinary Applications; Physics, Mathematical SC Mathematics; Physics GA 595AN UT WOS:000277583200003 ER PT J AU Donev, A Bell, JB Garcia, AL Alder, BJ AF Donev, Aleksandar Bell, John B. Garcia, Alejandro L. Alder, Berni J. TI A HYBRID PARTICLE-CONTINUUM METHOD FOR HYDRODYNAMICS OF COMPLEX FLUIDS SO MULTISCALE MODELING & SIMULATION LA English DT Article DE fluctuating hydrodynamics; hybrid methods; direct simulation Monte Carlo; adiabatic piston ID SIMULATION MONTE-CARLO; ADAPTIVE MESH REFINEMENT; MOLECULAR-DYNAMICS; ALGORITHM REFINEMENT; ATOMISTIC SIMULATION; ADIABATIC PISTON; KOLMOGOROV FLOW; BROWNIAN-MOTION; FLUCTUATIONS; EQUATIONS AB A previously developed hybrid particle-continuum method [J. B. Bell, A. Garcia, and S. A. Williams, Multiscale Model. Simul., 6 (2008), pp. 1256-1280] is generalized to dense fluids and two-and three-dimensional flows. The scheme couples an explicit fluctuating compressible Navier Stokes solver with the isotropic direct simulation Monte Carlo (DSMC) particle method [A. Donev, A. L. Garcia, and B. J. Alder, J. Stat. Mech. Theory Exp., 2009 (2009), article P11008]. To achieve bidirectional dynamic coupling between the particle (microscale) and continuum (macroscale) regions, the continuum solver provides state-based boundary conditions to the particle subdomain, while the particle solver provides flux-based boundary conditions for the continuum subdomain. This type of coupling ensures both state and flux continuity across the particle-continuum interface analogous to coupling approaches for deterministic parabolic partial differential equations; here, when fluctuations are included, a small (< 1%) mismatch is expected and observed in the mean density and temperature across the interface. By calculating the dynamic structure factor for both a "bulk" (periodic) and a finite system, it is verified that the hybrid algorithm accurately captures the propagation of spontaneous thermal fluctuations across the particle-continuum interface. The equilibrium diffusive (Brownian) motion of a large spherical bead suspended in a particle fluid is examined, demonstrating that the hybrid method correctly reproduces the velocity autocorrelation function of the bead but only if thermal fluctuations are included in the continuum solver. Finally, the hybrid is applied to the well-known adiabatic piston problem, and it is found that the hybrid correctly reproduces the slow nonequilibrium relaxation of the piston toward thermodynamic equilibrium but, again, only if the continuum solver includes stochastic (white-noise) flux terms. These examples clearly demonstrate the need to include fluctuations in continuum solvers employed in hybrid multiscale methods. C1 [Donev, Aleksandar; Bell, John B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Garcia, Alejandro L.] San Jose State Univ, Dept Phys & Astron, San Jose, CA 95192 USA. [Donev, Aleksandar; Alder, Berni J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Donev, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. EM aleks.donev@gmail.com; JBBell@lbl.gov; algarcia@algarcia.org; alder1@llnl.gov NR 91 TC 34 Z9 34 U1 0 U2 21 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1540-3459 J9 MULTISCALE MODEL SIM JI Multiscale Model. Simul. PY 2010 VL 8 IS 3 BP 871 EP 911 DI 10.1137/090774501 PG 41 WC Mathematics, Interdisciplinary Applications; Physics, Mathematical SC Mathematics; Physics GA 595AO UT WOS:000277583300006 ER PT J AU Gunzburger, M Lehoucq, RB AF Gunzburger, Max Lehoucq, R. B. TI A NONLOCAL VECTOR CALCULUS WITH APPLICATION TO NONLOCAL BOUNDARY VALUE PROBLEMS SO MULTISCALE MODELING & SIMULATION LA English DT Article DE nonlocal operators; vector calculus; boundary-value problems; diffusion; heat conduction ID LAPLACIAN EVOLUTION EQUATION; LONG-RANGE FORCES; ELASTICITY; DIFFUSION; MODEL; BAR AB We develop a calculus for nonlocal operators that mimics Gauss's theorem and Green's identities of the classical vector calculus. The operators we define do not involve derivatives. We then apply the nonlocal calculus to define weak formulations of nonlocal "boundary-value" problems that mimic the Dirichlet and Neumann problems for second-order scalar elliptic partial differential equations. For the nonlocal problems, we derive a fundamental solution and Green's functions, demonstrate that weak formulations of the nonlocal "boundary-value" problems are well posed, and show how, under appropriate limits, the nonlocal problems reduce to their local analogues. C1 [Gunzburger, Max] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. [Lehoucq, R. B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Gunzburger, M (reprint author), Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. EM gunzburg@fsu.edu; rblehou@sandia.gov FU U.S. Department of Energy, Office of Science [DE-FG02-05ER25698] FX Department of Scientific Computing, Florida State University, Tallahassee, FL 32306-4120 (gunzburg@fsu.edu). This author's work was supported in part by the U.S. Department of Energy under grant DE-FG02-05ER25698 as part of the Office of Science's "Multiscale Mathematics" program. NR 29 TC 59 Z9 59 U1 0 U2 5 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1540-3459 J9 MULTISCALE MODEL SIM JI Multiscale Model. Simul. PY 2010 VL 8 IS 5 BP 1581 EP 1598 DI 10.1137/090766607 PG 18 WC Mathematics, Interdisciplinary Applications; Physics, Mathematical SC Mathematics; Physics GA 697JH UT WOS:000285509300001 ER PT J AU Ron, D Safro, I Brandt, A AF Ron, Dorit Safro, Ilya Brandt, Achi TI A FAST MULTIGRID ALGORITHM FOR ENERGY MINIMIZATION UNDER PLANAR DENSITY CONSTRAINTS SO MULTISCALE MODELING & SIMULATION LA English DT Article DE layout problems; graph drawing and visualization; density constraints; constrained optimization; geometric multigrid; full approximation scheme AB The two-dimensional layout optimization problem reinforced by the efficient space utilization demand has a wide spectrum of practical applications. Formulating the problem as a nonlinear minimization problem under planar equality and/or inequality density constraints, we present a linear time multigrid algorithm for solving a correction to this problem. The method is demonstrated in various graph drawing (visualization) instances. C1 [Ron, Dorit; Brandt, Achi] Weizmann Inst Sci, Dept Appl Math, IL-76100 Rehovot, Israel. [Safro, Ilya] Argonne Natl Lab, Dept Math & Comp Sci, Argonne, IL 60439 USA. RP Ron, D (reprint author), Weizmann Inst Sci, Dept Appl Math, IL-76100 Rehovot, Israel. EM dorit.ron@weizmann.ac.il; safro@mcs.anl.gov; abrandt@math.ucla.edu RI Safro, Ilya/D-9383-2012 FU Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX Received by the editors September 23, 2009; accepted for publication (in revised form) June 29, 2010; published electronically September 7, 2010. This work was supported in part by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under contract DE-AC02-06CH11357. The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. Copyright is owned by SIAM to the extent not limited by these rights. NR 16 TC 1 Z9 1 U1 0 U2 1 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1540-3459 EI 1540-3467 J9 MULTISCALE MODEL SIM JI Multiscale Model. Simul. PY 2010 VL 8 IS 5 BP 1599 EP 1620 DI 10.1137/090771995 PG 22 WC Mathematics, Interdisciplinary Applications; Physics, Mathematical SC Mathematics; Physics GA 697JH UT WOS:000285509300002 ER PT S AU Brumby, SP Myers, KL Pawley, NH AF Brumby, Steven P. Myers, Kary L. Pawley, Norma H. BE Braun, JJ TI Capturing Dynamics on Multiple Time Scales: A Multilevel Fusion Approach for Cluttered Electromagnetic Data SO MULTISENSOR, MULTISOURCE INFORMATION FUSION: ARCHITECTURES, ALGORITHMS, AND APPLICATIONS 2010 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Multisensor, Multisource Information Fusion - Architectures, Algorithms and Applications 2010 CY APR 07-08, 2010 CL Orlando, FL SP SPIE DE chirplets; fast ridge pursuit; logistic regression trees; Kolmogorov-Smirnov test; discrete process modeling AB Many problems in electromagnetic signal analysis exhibit dynamics on a wide range of time scales. Further, these dynamics may involve both continuous source generation processes and discrete source mode dynamics. These rich temporal characteristics can present challenges for standard modeling approaches, particularly in the presence of nonstationary noise and clutter sources. Here we demonstrate a hybrid algorithm designed to capture the dynamic behavior at all relevant time scales while remaining robust to clutter and noise at each time scale. We draw from techniques of adaptive feature extraction, statistical machine learning, and discrete process modeling to construct our hybrid algorithm. We describe our approach and present results applying our hybrid algorithm to a simulated dataset based on an example radio beacon identification problem: civilian air traffic control. This application illustrates the multi-scale complexity of the problems we wish to address. We consider a multi-mode air traffic control radar emitter operating against a cluttered background of competing radars and continuous-wave communications signals (radios, TV broadcasts). Our goals are to find a compact representation of the radio frequency measurements, identify which pulses were emitted by the target source, and determine the mode of the source. C1 [Brumby, Steven P.; Myers, Kary L.; Pawley, Norma H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Brumby, SP (reprint author), Los Alamos Natl Lab, Mailstop D436, Los Alamos, NM 87545 USA. EM brumby@lanl.gov OI Myers, Kary/0000-0002-5642-959X NR 13 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8174-0 J9 PROC SPIE PY 2010 VL 7710 AR 771002 DI 10.1117/12.850199 PG 8 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BSO05 UT WOS:000285049500001 ER PT J AU Weinberger, CR Cai, W AF Weinberger, Christopher R. Cai, Wei TI Orientation-Dependent Plasticity in Metal Nanowires under Torsion: Twist Boundary Formation and Eshelby Twist SO NANO LETTERS LA English DT Article DE Nanowires; mechanical properties; dislocations; plasticity ID STRAIN GRADIENT PLASTICITY; DISLOCATION; STRENGTH AB We show that the plastic deformation of nanowires under torsion can be either homogeneous or heterogeneous, regardless of size, depending on the wire orientation. Homogeneous deformation occurs when < 110 >-oriented face-centered-cubic metal wires are twisted, leading to the nucleation of coaxial dislocations, analogous to the Eshelby twist mechanism. Heterogeneous deformation is predicted for < 111 > and < 100 > wires under torsion, localized at the twist boundaries. These simulations also reveal the detailed mechanisms of twist boundary formation from dislocation reactions. C1 [Weinberger, Christopher R.; Cai, Wei] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. RP Weinberger, CR (reprint author), Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87125 USA. EM crweinb@sandia.gov; caiwei@stanford.edu RI Weinberger, Christopher/E-2602-2011; OI Weinberger, Christopher/0000-0001-9550-6992; Cai, Wei/0000-0001-5919-8734 FU National Science Foundation [CMS-0547681]; Air Force office of Scientific Research/Young Investigator Program; Army High Performance Computing Research Center; Benchmark Stanford Graduate Fellowship FX The work is supported by National Science Foundation Career Grant CMS-0547681, Air Force office of Scientific Research/Young Investigator Program grant, the Army High Performance Computing Research Center at Stanford, and a Benchmark Stanford Graduate Fellowship (to C.R.W.). NR 16 TC 27 Z9 28 U1 1 U2 20 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 JAN PY 2010 VL 10 IS 1 BP 139 EP 142 DI 10.1021/nl903041m 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 541PG UT WOS:000273428700024 PM 20030357 ER PT J AU Dedeo, MT Duderstadt, KE Berger, JM Francis, MB AF Dedeo, Michel T. Duderstadt, Karl E. Berger, James M. Francis, Matthew B. TI Nanoscale Protein Assemblies from a Circular Permutant of the Tobacco Mosaic Virus SO NANO LETTERS LA English DT Article ID ENERGY-TRANSFER; COAT PROTEIN; RESOLUTION; AGGREGATE; DYNAMICS; SCAFFOLD; DISK AB The protein coat of the tobacco mosaic virus (TMV) has been explored extensively for the construction of nanoscale architectures. In previous work, we have reported efficient TMV-based light harvesting Systems bearing chromophores in a hollow channel of the assembled protein. We have also reported an N-terminal transamination/oximation method that could be used to attach electrodes and catalytic groups to the exterior surface of the rods. To complement these techniques, we report herein a new circular permutant of the TMV capsid protein that repositions the N- and C-termini to the center of the assemblies. This protein can be produced in very high yield through E. coli expression and self-assembles into light harvesting rods that are much like those assembled from the wild-type protein. However, the disks formed from the permutant structure are stable over a significantly wider pH range, greatly improving the practicality of this assembled form for materials applications. The new position of the N-terminus allows functional groups to be installed in the inner pore of the disks, affording geometries reminiscent of natural photosynthetic systems, The permutant also shows the ability to coassemble with regular monomers, allowing the future generation of multicomponent rod structures that are modified on the exterior and interior Surfaces, as well as in the internal RNA channel. C1 [Francis, Matthew B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Francis, MB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM francis@cchem.berkeley.edu OI Duderstadt, Karl/0000-0002-1279-7841 FU NSF [0449772] FX We would like to thank Dr. Tony lavarone for the acquisition of mass spectra and Dr. Andrew Presley and Professor Ting Xu for help with AFM. We also acknowledge the NSF (0449772) for generous funding support. NR 27 TC 40 Z9 42 U1 2 U2 43 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 JAN PY 2010 VL 10 IS 1 BP 181 EP 186 DI 10.1021/nl9032395 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 541PG UT WOS:000273428700031 PM 19924865 ER PT J AU Dayal, S Kopidakis, N Olson, DC Ginley, DS Rumbles, G AF Dayal, Smita Kopidakis, Nikos Olson, Dana C. Ginley, David S. Rumbles, Garry TI Photovoltaic Devices with a Low Band Gap Polymer and CdSe Nanostructures Exceeding 3% Efficiency SO NANO LETTERS LA English DT Article DE Nanoparticles; inorganic-organic photovoltaic devices; low band gap polymer; power conversion efficiency ID HYBRID SOLAR-CELLS; CHARGE-TRANSFER; NANOCRYSTALS; PHOTOCONDUCTIVITY; NANOPARTICLES; POLYFLUORENE; COMPOSITES; TRANSPORT AB We report the fabrication and measurement of solar cells approaching a power conversion efficiency of 3.2% using a low band gap conjugated polymer poly [2,6-(4,4-bis-(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)-alt-4,7-(2, 1, 3-benzothiadiazole)] and CdSe nanoparticles. These devices exhibit an external quantum efficiency (EQE) of >30% in a broad range of 350-800 nm with a maximum EQE of 55% in a range of 630-720 nm. We also present certified device efficiencies of 3.13% under AM 1.5 illumination. C1 [Dayal, Smita; Kopidakis, Nikos; Olson, Dana C.; Ginley, David S.; Rumbles, Garry] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Dayal, S (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM smita.dayal@nrel.gov RI dayal, smita/F-2756-2011; Rumbles, Garry/A-3045-2014; Kopidakis, Nikos/N-4777-2015; OI Rumbles, Garry/0000-0003-0776-1462 FU Department of Energy EERE Solar Technology FX Authors would like to thank Dr. Andrew Norman for his help with TEM and P. Ciszek and K. Emery for certified solar cell measurements at NREL. We also thank Dr. Russ Gaudiana of Konarka Technologies, Inc., for providing PCPDTBT. The Department of Energy EERE Solar Technology Program through the National Center for Photovoltaics Seed Fund Program is acknowledged for funding. NR 24 TC 263 Z9 266 U1 0 U2 79 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 JAN PY 2010 VL 10 IS 1 BP 239 EP 242 DI 10.1021/nl903406s 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 541PG UT WOS:000273428700040 PM 20000623 ER PT J AU Briseno, AL Holcombe, TW Boukai, AI Garnett, EC Shelton, SW Frechet, JJM Yang, PD AF Briseno, Alejandro L. Holcombe, Thomas W. Boukai, Akram I. Garnett, Erik C. Shelton, Steve W. Frechet, Jean J. M. Yang, Peidong TI Oligo- and Polythiophene/ZnO Hybrid Nanowire Solar Cells SO NANO LETTERS LA English DT Article ID ZINC-OXIDE NANOWIRES; PHOTOVOLTAIC CELLS; CONJUGATED POLYMERS; HETEROJUNCTIONS; NANOPARTICLES; MORPHOLOGY; DEVICES; SURFACE; ACID AB We demonstrate the basic operation of an organic/inorganic hybrid single nanowire solar cell. End-functionalized oligo- and polythiophenes were grafted onto ZnO nanowires to produce. p-n heterojunction nanowires. The hybrid nanostructures were characterized via absorption and electron microscopy to determine the optoelectronic properties and to probe the morphology at the organic/inorganic interface. Individual nanowire solar cell devices exhibited well-resolved characteristics with efficiencies as high as 0.036%, J(sc) = 0.32 mA/cm(2), V(oc) = 0.4 V, and a FF = 0.28 under AM 1.5 illumination with 100 mW/cm(2) light intensity. These individual test structures will enable detailed analysis to be carried Out in areas that have been difficult to study in bulk heterojunction devices. C1 [Frechet, Jean J. M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Frechet, JJM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM frechet@berkeley.edu; p_yang@berkeley.edu RI Garnett, Erik/A-6847-2009; OI Garnett, Erik/0000-0002-9158-8326; Frechet, Jean /0000-0001-6419-0163 FU U.S. Department of Energy u [DE-AC02-05CH11231]; NSF FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. T.W.H. thanks the NSF for a graduate research fellowship. The authors thank Yunjeong Hwang for assistance with SEM measurements, Michael Moore and Michelle N. Comte for the preparation of ZnO nanowires, and Ruoxue Yan for the schematic drawings in Figures 2 and 5. NR 30 TC 247 Z9 255 U1 13 U2 159 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 JAN PY 2010 VL 10 IS 1 BP 334 EP 340 DI 10.1021/nl9036752 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 541PG UT WOS:000273428700056 PM 20000808 ER PT J AU Huang, JY Qi, L Li, J AF Huang, Jian Yu Qi, Liang Li, Ju TI In Situ Imaging of Layer-by-Layer Sublimation of Suspended Graphene SO NANO RESEARCH LA English DT Article DE Graphene; sublimation; in situ electron microscopy; vacancy hole; bilayer edge ID CARBON NANOTUBES; TRANSFORMATIONS; RESOLUTION AB An individual suspended graphene sheet was connected to a scanning tunneling microscopy probe inside a transmission electron microscope, and Joule heated to high temperatures. At high temperatures and under electron beam irradiation, the few-layer graphene sheets were removed layer-by-layer in the viewing area until a monolayer graphene was formed. The layer-by-layer peeling was initiated at vacancies in individual graphene layers. The vacancies expanded to form nanometer-sized holes, which then grew along the perimeter and propagated to both the top and bottom layers of a bilayer graphene joined by a bilayer edge. The layer-by-layer peeling was induced by atom sublimation caused by Joule heating and facilitated by atom displacement caused by high-energy electron irradiation, and may be harnessed to control the layer thickness of graphene for device applications. C1 [Huang, Jian Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Qi, Liang; Li, Ju] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. RP Huang, JY (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM jhuang@sandia.gov RI Li, Ju/A-2993-2008; Qi, Liang/A-3851-2010; Huang, Jianyu/C-5183-2008 OI Li, Ju/0000-0002-7841-8058; Qi, Liang/0000-0002-0201-9333; FU U. S. Department of Energy [DE-AC04-94AL85000]; Honda Research Institute USA; NSF [CMMI-0728069]; AFOSR; ONR [N00014-05-1-0504] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, the U. S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. JL would like to acknowledge support by Honda Research Institute USA, NSF CMMI-0728069, AFOSR, and ONR N00014-05-1-0504. J. Y. H. would like to thank Dr. Ping Lu at Sandia National Laboratories for conducting the HRTEM image simulations. NR 24 TC 23 Z9 25 U1 2 U2 27 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA SN 1998-0124 J9 NANO RES JI Nano Res. PD JAN PY 2010 VL 3 IS 1 BP 43 EP 50 DI 10.1007/s12274-010-1006-4 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 548DP UT WOS:000273940100006 ER PT S AU Knickelbein, MB AF Knickelbein, Mark B. BE Jena, P Castleman, AW TI Uncovering New Magnetic Phenomena in Metal Clusters SO NANOCLUSTERS: A BRIDGE ACROSS DISCIPLINES SE Science and Technology of Atomic Molecular Condensed Matter and Biological Systems LA English DT Article; Book Chapter ID NICKEL CLUSTERS; TRANSITION-METAL; IRON CLUSTERS; CHEMICAL CHARACTERIZATION; MANGANESE CLUSTERS; NI CLUSTERS; MN-N; CO; CHEMISORPTION; ADSORPTION C1 [Knickelbein, Mark B.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Knickelbein, Mark B.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Knickelbein, MB (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 75 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1875-4023 BN 978-0-08-096422-5; 978-0-44-453440-8 J9 SCI TECH ATOM MOLEC PY 2010 BP 415 EP 435 DI 10.1016/S1875-4023(10)01011-9 PG 21 WC Nanoscience & Nanotechnology; Physics, Condensed Matter SC Science & Technology - Other Topics; Physics GA BCR69 UT WOS:000311109700012 ER PT J AU Hollingsworth, JA Klimov, VI AF Hollingsworth, Jennifer A. Klimov, Victor I. BE Klimov, VI TI "Soft" Chemical Synthesis and Manipulation of Semiconductor Nanocrystals SO NANOCRYSTAL QUANTUM DOTS, SECOND EDITION LA English DT Article; Book Chapter ID CORE-SHELL NANOCRYSTALS; COLLOIDAL QUANTUM DOTS; LIQUID-SOLID GROWTH; CDSE/CDS CORE/SHELL NANOCRYSTALS; III-V SEMICONDUCTORS; STRUCTURAL TRANSFORMATIONS; NANOPARTICLE SUPERLATTICES; NANOROD HETEROSTRUCTURES; MODULATED REACTANTS; SELF-ORGANIZATION C1 [Hollingsworth, Jennifer A.; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Softmatter Nanotechnol & Adv Spect Team, Los Alamos, NM USA. RP Hollingsworth, JA (reprint author), Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. NR 147 TC 13 Z9 13 U1 0 U2 2 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7927-2 PY 2010 BP 1 EP 61 DI 10.1201/9781420079272-c1 D2 10.1201/9781420079272 PG 61 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA BTC22 UT WOS:000286425800003 ER PT B AU Klimov, VI AF Klimov, Victor I. BE Klimov, VI TI NANOCRYSTAL QUANTUM DOTS Preface to the Second Edition SO NANOCRYSTAL QUANTUM DOTS, SECOND EDITION LA English DT Editorial Material; Book Chapter C1 [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Softmatter Nanotechnol & Adv Spect Team, Los Alamos, NM USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7927-2 PY 2010 BP VII EP VIII D2 10.1201/9781420079272 PG 2 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA BTC22 UT WOS:000286425800001 ER PT B AU Klimov, VI AF Klimov, Victor I. BE Klimov, VI TI NANOCRYSTALS QUANTUM DOTS Preface to the First Edition SO NANOCRYSTAL QUANTUM DOTS, SECOND EDITION LA English DT Editorial Material; Book Chapter C1 [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Softmatter Nanotechnol & Adv Spect Team, Los Alamos, NM USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7927-2 PY 2010 BP IX EP XI D2 10.1201/9781420079272 PG 3 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA BTC22 UT WOS:000286425800002 ER PT B AU Klimov, VI AF Klimov, Victor I. BE Klimov, VI TI Multiexciton Phenomena in Semiconductor Nanocrystals SO NANOCRYSTAL QUANTUM DOTS, SECOND EDITION LA English DT Article; Book Chapter ID CDSE QUANTUM DOTS; MULTIPLE EXCITON GENERATION; INVERTED CORE/SHELL NANOCRYSTALS; AMPLIFIED SPONTANEOUS EMISSION; EFFICIENCIES EXCEEDING UNITY; ELECTRON-HOLE INTERACTIONS; CARRIER MULTIPLICATION; AUGER RECOMBINATION; OPTICAL GAIN; SOLAR-CELLS C1 [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Softmatter Nanotechnol & Adv Spect Team, Los Alamos, NM USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, Ctr Adv Solar Photophys, Los Alamos, NM USA. NR 142 TC 0 Z9 0 U1 0 U2 3 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7927-2; 978-1-4200-7926-5 PY 2010 BP 147 EP 213 DI 10.1201/9781420079272-c5 D2 10.1201/9781420079272 PG 67 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA BTC22 UT WOS:000286425800007 ER PT J AU Nozik, AJ Micic, OI AF Nozik, Arthur J. Micic, Olga I. BE Klimov, VI TI Quantum Dots and Quantum Dot Arrays: Synthesis, Optical Properties, Photogenerated Carrier Dynamics, Multiple Exciton Generation, and Applications to Solar Photon Conversion SO NANOCRYSTAL QUANTUM DOTS, SECOND EDITION LA English DT Article; Book Chapter ID TIME-RESOLVED PHOTOLUMINESCENCE; SEMICONDUCTOR-ELECTROLYTE JUNCTIONS; CDSE/CDS CORE/SHELL NANOCRYSTALS; CADMIUM SELENIDE NANOCRYSTALS; BEAM EPITAXIAL-GROWTH; LIGHT-EMITTING-DIODES; IMPACT IONIZATION; PHONON BOTTLENECK; ENERGY-RELAXATION; FLUORESCENCE INTERMITTENCY C1 [Nozik, Arthur J.] Natl Renewable Energy Lab, Golden, CO USA. RP Nozik, AJ (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 214 TC 1 Z9 1 U1 0 U2 3 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7927-2 PY 2010 BP 311 EP 367 DI 10.1201/9781420079272-c9 D2 10.1201/9781420079272 PG 57 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA BTC22 UT WOS:000286425800011 ER PT B AU Adiga, SP Curtiss, LA Gruen, DM AF Adiga, Shashishekar P. Curtiss, Larry A. Gruen, Dieter M. BE Ho, D TI Molecular Dynamics Simulations of Nanodiamond Graphitization SO NANODIAMONDS: APPLICATIONS IN BIOLOGY AND NANOSCALE MEDICINE LA English DT Article; Book Chapter ID ONION-LIKE CARBON; GRAPHITE-LIKE STRUCTURES; DIAMOND 111 SURFACE; ELECTRON-IRRADIATION; HIGH-PRESSURE; TRANSFORMATION; NANOPARTICLES; DETONATION; FULLERENES; STABILITY AB Nanocarbons have attracted great interest due to their potential applications in nanoscale devices, medicine, lubrication and composite materials. Recently, nanocarbons with a variety of morphologies are reported to have been obtained after annealing nanodiamonds above 1,200 K. Here, we have investigated the transformation of 2-5 nm nanodiamond particles upon annealing using molecular dynamics simulations. The simulations show that nanodiamonds undergo annealing-induced graphitization by a progressive sp(3) to sp(2) conversion of carbon atoms that begins at the surface. The extent of this conversion depends on the size and morphology of the nanodiamond. It is found that while graphitization proceeds easily from {111} surfaces towards the core, the presence of {100} surfaces leads to residual sp(3) carbon atoms. We will also discuss different steps involved in nanodiamond graphitization, the formation of onion-like carbon and vibrational spectra of these structures. C1 [Adiga, Shashishekar P.; Curtiss, Larry A.; Gruen, Dieter M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Adiga, SP (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM shashi.adiga@gmail.com NR 56 TC 4 Z9 4 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4419-0530-7 PY 2010 BP 35 EP 54 DI 10.1007/978-1-4419-0531-4_2 D2 10.1007/978-1-4419-0531-4 PG 20 WC Biology SC Life Sciences & Biomedicine - Other Topics GA BMP08 UT WOS:000273253500002 ER PT S AU Wang, GT Li, QM Huang, JY Talin, AA Lin, Y Arslan, I Armstrong, A Upadhya, PC Prasankumar, RP AF Wang, George T. Li, Qiming Huang, Jianyu Talin, A. Alec Lin, Yong Arslan, Ilke Armstrong, Andrew Upadhya, Prashanth C. Prasankumar, Rohit P. BE Islam, MS Kobayashi, NP Talin, AA TI III-nitride nanowires: Growth, properties, and applications SO NANOEPITAXY: HOMO- AND HETEROGENEOUS SYNTHESIS, CHARACTERIZATION, AND DEVICE INTEGRATION OF NANOMATERIALS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Nanoepitaxy - Homo- and Heterogeneous Synthesis, Characterization, and Device Integration of Nanomaterials II CY AUG 01-04, 2010 CL San Diego, CA SP SPIE DE GaN; nanowire; solid-state lighting; cathodoluminescence; vapor-liquid-solid; chemical vapor deposition; InGaN; templated growth ID A-PLANE GAN; HETEROSTRUCTURES; SAPPHIRE; PHOTOCONDUCTIVITY AB Nanowires based on the III nitride materials system have attracted attention as potential nanoscale building blocks in optoelectronics, sensing, and electronics. However, before such applications can be realized, several challenges exist in the areas of controlled and ordered nanowire synthesis, fabrication of advanced nanowire heterostructures, and understanding and controlling the nanowire electrical and optical properties. Here, recent work is presented involving the aligned growth of GaN and III-nitride core-shell nanowires, along with extensive results providing insights into the nanowire properties obtained using advanced electrical, optical and structural characterization techniques. C1 [Wang, George T.; Li, Qiming; Huang, Jianyu; Lin, Yong; Armstrong, Andrew] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wang, GT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gtwang@sandia.gov RI Huang, Jianyu/C-5183-2008 NR 25 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8264-8 J9 PROC SPIE PY 2010 VL 7768 AR 77680K DI 10.1117/12.859404 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA BSU42 UT WOS:000285826300009 ER PT B AU Thieme, J Gleber, SC Sedlmair, J Rieger, J Niemeyer, J Coates, J AF Thieme, Juergen Gleber, Sophie-Charlotte Sedlmair, Julia Rieger, Jens Niemeyer, Juergen Coates, John BE Frimmel, FH Niessner, R TI X-Ray Spectromicroscopy Studies of Nanoparticles in Aqueous Media SO NANOPARTICLES IN THE WATER CYCLE LA English DT Article; Book Chapter ID ADVANCED LIGHT-SOURCE; BESSY-II; SPATIAL-RESOLUTION; NM RESOLUTION; MICROSCOPE; TRANSMISSION; SPECTROSCOPY; BEAMLINE; CACO3 C1 [Thieme, Juergen] Brookhaven Natl Lab, NSLS II Project, Upton, NY 11973 USA. [Gleber, Sophie-Charlotte; Sedlmair, Julia] Univ Gottingen, Inst Xray Phys, D-37077 Gottingen, Germany. [Rieger, Jens] BASF SE, Polymer Phys, D-67056 Ludwigshafen, Germany. [Niemeyer, Juergen] Univ Gottingen, Inst Appl Biotechnol Trop, D-37079 Gottingen, Germany. [Coates, John] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Thieme, J (reprint author), Brookhaven Natl Lab, NSLS II Project, Upton, NY 11973 USA. EM jthieme@bnl.gov NR 31 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-3-642-10317-9 PY 2010 BP 103 EP 115 DI 10.1007/978-3-642-10318-6_7 D2 10.1007/978-3-642-10318-6 PG 13 WC Public, Environmental & Occupational Health; Nanoscience & Nanotechnology SC Public, Environmental & Occupational Health; Science & Technology - Other Topics GA BOY72 UT WOS:000278070200007 ER PT J AU Cooper, DR Dimitrijevic, NM Nadeau, JL AF Cooper, Daniel R. Dimitrijevic, Nada M. Nadeau, Jay L. TI Photosensitization of CdSe/ZnS QDs and reliability of assays for reactive oxygen species production SO NANOSCALE LA English DT Article ID HUMAN NEUROBLASTOMA-CELLS; QUANTUM DOTS; PHOTODYNAMIC THERAPY; SINGLET OXYGEN; LIVE CELLS; WATER; PHOTOCHEMISTRY; NANOPARTICLES; SPECTROSCOPY; SUSPENSIONS AB CdSe/ZnS quantum clots (QDs) conjugated to biomolecules that can act as electron donors are said to be "photosensitized": that is, they are able to oxidize or reduce molecules whose redox potential lies inside their band edges, in particular molecular oxygen and water. This leads to the formation of reactive oxygen species (ROS) and phototoxicity. In this work, we quantify the generation of different forms of ROS from as-synthesized QDs in toluene; water-solubilized, unconjugated QDs; QDs conjugated to the neurotransmitter dopamine; and dopamine alone. Results of indirect fluorescent ROS assays, both in solution and inside cells, are compared with those of spin-trap electron paramagentic resonance spectroscopy (EPR). The effect of these particles on the metabolism of mammalian cells is shown to be dependent upon light exposure and proportional to the amount of ROS generated. C1 [Cooper, Daniel R.; Nadeau, Jay L.] McGill Univ, Dept Biomed Engn, Montreal, PQ H3A 2B4, Canada. [Dimitrijevic, Nada M.] Argonne Natl Lab, Ctr Nanoscale Mat, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Nadeau, JL (reprint author), McGill Univ, Dept Biomed Engn, 3775 Rue Univ, Montreal, PQ H3A 2B4, Canada. EM daniel.cooper@mail.mcgill.ca; jay.nadeau@mcgill.ca OI Cooper, Daniel/0000-0002-7558-0308 FU US EPA [R833323]; National Science and Engineering Research Council of Canada (NSERC); Canada Research Chairs; DOE BES [DE-AC02-06CH11357] FX This research is funded by US EPA Grant #R833323 and by the National Science and Engineering Research Council of Canada (NSERC) Individual Discovery program. JLN acknowledges salary support from the Canada Research Chairs. The EPR experiments were performed at Argonne tinder DOE BES Contract No. DE-AC02-06CH11357. NR 26 TC 51 Z9 51 U1 5 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PD JAN PY 2010 VL 2 IS 1 BP 114 EP 121 DI 10.1039/b9nr00130a PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 563VX UT WOS:000275164400012 PM 20648372 ER PT J AU Zou, GF Jain, MK Yang, H Zhang, YY Williams, D Jia, QX AF Zou, Guifu Jain, Menka Yang, Hao Zhang, Yingying Williams, Darrick Jia, Quanxi TI Recyclable and electrically conducting carbon nanotube composite films SO NANOSCALE LA English DT Article ID PERCOLATION-DOMINATED CONDUCTIVITY; ELECTRON-TRANSPORT LAYER; LIGHT-EMITTING-DIODES; EPOXY COMPOSITES; POLYMER NANOCOMPOSITES; CONJUGATED-POLYMER; SINGLE; TRANSPARENT; DEFORMATION; RESISTIVITY AB Carbon nanotube (CNT) composite films possess unique electrical, mechanical and thermal properties. In particular, some research has shown that CNT-polymer composite films greatly enhance the performance of organic light-emitting diodes. Therefore, CNT composite films have been intensively fabricated and applied. However, recent research has shown that CNTs carry carcinogenic risks in vivo. Therefore, how to collect and treat damaged or trashed CNT composite films are considerable tasks for scientists working in this area. From the viewpoint of environmental protection and saving resources, recycling the CNT composite films is the most efficient way to solve these problems. Here, we employ a benign water-soluble polymer, polyethyleneimine (PEI), to disperse CNTs and a general spin-coating process to prepare the homogeneous CNT composite films. The prepared CNT composite films exhibit good water-soluble properties and recyclability, i.e. they can be formed and dissolved in water. In addition, the long CNTs and high loading in the PEI matrix facilitates good electric conductivity in these CNT composite films. A significant improvement in the conductivity of the composite films is observed as the concentration of CNTs in the PEI increases, reaching as high as 43.73 S cm(-1) when the CNT concentration is equal to 3%. C1 [Zou, Guifu; Yang, Hao; Zhang, Yingying; Williams, Darrick; Jia, Quanxi] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Jain, Menka] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. RP Zou, GF (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM gfzou@lanl.gov; qxjia@lanl.gov RI Zhang, Yingying/A-7260-2009; ZOU, GUIFU/C-8498-2011; Jia, Q. X./C-5194-2008; OI Zhang, Yingying/0000-0002-8448-3059; Jain, Menka/0000-0002-2264-6895 FU U.S. Department of Energy FX This work was supported by the U.S. Department of Energy through the LANL/LDRD program. NR 48 TC 13 Z9 13 U1 2 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 3 BP 418 EP 422 DI 10.1039/b9nr00257j PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 566OU UT WOS:000275382900014 PM 20644826 ER PT J AU Allen, BL Keddie, MB Star, A AF Allen, Brett L. Keddie, Matthew B. Star, Alexander TI Controlling the volumetric parameters of nitrogen-doped carbon nanotube cups SO NANOSCALE LA English DT Article ID ELECTRONIC-STRUCTURE; NANOBELLS; MECHANISM; GROWTH AB Analogous to multiwalled carbon nanotubes, nitrogen-doped carbon nanotube cups (NCNCs) have been synthesized with defined volumetric parameters (diameter and segment lengths) by controlling the catalyst particle size and the concentration of nitrogen precursor utilized in the chemical vapor deposition (CVD) reaction, allowing for tailored interior cavity space of cross-linked NCNCs, i.e. nanocapsules. C1 [Allen, Brett L.; Keddie, Matthew B.; Star, Alexander] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. [Allen, Brett L.; Star, Alexander] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Star, A (reprint author), Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. EM astar@pitt.edu RI Star, Alexander/C-3399-2013 FU NSF [0954345] FX The authors would like to thank the Nanoscale Fabrication and Characterization Facility of the Petersen Institute of Nanoscience and Engineering for access to characterization instrumentation. This work was supported by an NSF CAREER Award No. 0954345. NR 14 TC 9 Z9 9 U1 0 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 7 BP 1105 EP 1108 DI 10.1039/c0nr00043d PG 4 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 622AE UT WOS:000279627900006 PM 20644782 ER PT J AU Xu, P Jeon, SH Mack, NH Doorn, SK Williams, DJ Han, XJ Wang, HL AF Xu, Ping Jeon, Sea-Ho Mack, Nathan H. Doorn, Stephen K. Williams, Darrick J. Han, Xijiang Wang, Hsing-Lin TI Field-assisted synthesis of SERS-active silver nanoparticles using conducting polymers SO NANOSCALE LA English DT Article ID ENHANCED RAMAN-SCATTERING; POLYANILINE NANOFIBERS; FACILE SYNTHESIS; CHEMICAL-DEPOSITION; CATALYTIC-PROPERTIES; METAL NANOPARTICLES; GOLD; SPECTROSCOPY; NANOSTRUCTURES; NANOCOMPOSITES AB A gradient of novel silver nanostructures with widely varying sizes and morphologies is fabricated on a single conducting polyaniline-graphite (P-G) membrane with the assistance of an external electric field. It is believed that the formation of such a silver gradient is a synergetic consequence of the generation of a silver ion concentration gradient along with an electrokinetic flow of silver ions in the field-assisted model, which greatly influences the nucleation and growth mechanism of Ag particles on the P-G membrane. The produced silver dendrites, flowers and microspheres, with sharp edges, intersections and bifurcations, all present strong surface enhanced Raman spectroscopy (SERS) responses toward an organic target molecule, mercaptobenzoic acid (MBA). This facile field-assisted synthesis of Ag nanoparticles via chemical reduction presents an alternative approach to nanomaterial fabrication, which can yield a wide range of unique structures with enhanced optical properties that were previously inaccessible by other synthetic routes. C1 [Xu, Ping; Jeon, Sea-Ho; Mack, Nathan H.; Doorn, Stephen K.; Williams, Darrick J.; Wang, Hsing-Lin] Los Alamos Natl Lab, C PCS, Los Alamos, NM 87545 USA. [Xu, Ping; Han, Xijiang] Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. RP Xu, P (reprint author), Los Alamos Natl Lab, C PCS, POB 1663, Los Alamos, NM 87545 USA. EM pxu@hit.edu.cn; hwang@lanl.gov RI Xu, Ping/I-1910-2013 OI Xu, Ping/0000-0002-1516-4986 FU Chinese Scholarship Council (CSC); NSFC [20776032]; DOE, BES Office of Science; National Nanotechnology Enterprise Development Center (NNEDC); Sandia National Laboratories [DE-AC04-94AL85000]; [DE-AC52-06NA25396] FX PX thanks the support from the Joint Educational Ph.D. Program of the Chinese Scholarship Council (CSC) and NSFC (No. 20776032). HLW acknowledges the financial support from Laboratory Directed Research and Development (LDRD) fund under the auspices of DOE, BES Office of Science, and the National Nanotechnology Enterprise Development Center (NNEDC). This work was performed in part at the Center for Integrated Nanotechnologies (CINT), at Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000). NR 40 TC 32 Z9 32 U1 3 U2 40 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 8 BP 1436 EP 1440 DI 10.1039/c0nr00106f PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 636DL UT WOS:000280708300017 PM 20820731 ER PT J AU Sun, YG AF Sun, Yugang TI Silver nanowires - unique templates for functional nanostructures SO NANOSCALE LA English DT Article ID ENHANCED RAMAN-SCATTERING; LARGE-SCALE SYNTHESIS; SHAPE-CONTROLLED SYNTHESIS; WET CHEMICAL-SYNTHESIS; COATED GOLD NANORODS; AG-AT-AGCL; OPTICAL-PROPERTIES; POLYOL PROCESS; GROWTH-MECHANISM; METALLIC NANOWIRES AB This feature article reviews the synthesis and application of silver nanowires with the focus on a polyol process that is capable of producing high quality silver nanowires with high yield. The as-synthesized silver nanowires can be used as both physical templates for the synthesis of metal/dielectric core/shell nanowires and chemical templates for the synthesis of metal nanotubes as well as semiconductor nanowires. Typical examples including Ag/SiO2 coaxial nanocables, single- and multiple-walled nanotubes made of Au-Ag alloy, AgCl nanowires and AgCl/Au core/shell nanowires are discussed in detail to illustrate the versatility of nanostructures derived from silver nanowire templates. Novel properties associated with these one-dimensional nanostructures are also briefly discussed to shed the light on their potential applications in electronics, photonics, optoelectronics, catalysis, and medicine. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Sun, YG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ygsun@anl.gov RI Sun, Yugang /A-3683-2010; Wei, Zhanhua/D-7544-2013 OI Sun, Yugang /0000-0001-6351-6977; Wei, Zhanhua/0000-0003-2687-0293 FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Use of the Center for Nanoscale Materials, the Electron Microscopy Center for Materials Research, and the Advanced Photon Source (APS) at Argonne was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Help from Dr Yang Ren for XRD measurements on beamline 11-ID-C of APS is greatly appreciated. NR 171 TC 115 Z9 117 U1 20 U2 231 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 9 BP 1626 EP 1642 DI 10.1039/c0nr00258e PG 17 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 647JD UT WOS:000281613800007 PM 20820692 ER PT J AU Lana-Villarreal, T Mao, YB Wong, SS Gomez, R AF Lana-Villarreal, Teresa Mao, Yuanbing Wong, Stanislaus S. Gomez, Roberto TI Photoelectrochemical behaviour of anatase nanoporous films: effect of the nanoparticle organization SO NANOSCALE LA English DT Article ID SENSITIZED SOLAR-CELLS; TIO2 THIN-FILMS; TITANIUM-DIOXIDE; HYDROTHERMAL TREATMENT; WATER PHOTOOXIDATION; AQUEOUS-ELECTROLYTE; CHARGE-COLLECTION; STATES; SEMICONDUCTORS; NANOTUBES AB The photoelectrochemical behaviour of anatase thin films with different nanoarchitectures and the same active surface area (or thickness) has been studied in acidic media in the absence and in the presence of formic acid. The electrodes were composed of either wire-like nanocrystal aggregates or commercial TiO(2) nanoparticles. Cyclic voltammetry in the dark reveals a larger trap concentration in the band gap for the nanoparticulate (NP) electrodes, which can be ascribed to a larger number of intergrain boundaries. Also under illumination, the behaviour for both types of anatase structures significantly differs: water photooxidation arises at more negative potentials for the nanocolumnar (NC) electrodes. In the presence of an efficient hole acceptor such as HCOOH, significantly larger photocurrents were noted for the NC films as compared with those for the NP electrodes, with the photocurrent onset also shifted towards more positive potentials for the latter. These results point to a diminished electron recombination, which can be related with a smaller concentration of intergrain boundaries, together with a more efficient HCOOH hole transfer for the wire-like nanocrystal aggregate architecture. In addition, the oxygen reduction reaction is also favoured in the case of NC electrodes. C1 [Lana-Villarreal, Teresa; Gomez, Roberto] Univ Alacant, Inst Univ Electroquim, E-03080 Alacant, Spain. [Lana-Villarreal, Teresa; Gomez, Roberto] Univ Alacant, Dept Quim Fis, E-03080 Alacant, Spain. [Mao, Yuanbing; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Lana-Villarreal, T (reprint author), Univ Alacant, Inst Univ Electroquim, Apartat 99, E-03080 Alacant, Spain. EM Teresa.Lana@ua.es RI Gomez, Roberto/N-4711-2014; OI Gomez, Roberto/0000-0002-5231-8032; Lana-Villarreal, Teresa/0000-0003-3072-722X FU Spanish Ministry of Science and Innovation [HOPE CSD2007-00007, MAT2009-14004]; Generalitat Valenciana [GVPRE/2008/198]; US Department of Energy Office of Basic Energy Sciences [DE-AC02-98CH10886]; Royal Society FX This work was financially supported by the Spanish Ministry of Science and Innovation through projects HOPE CSD2007-00007 (Consolider-Ingenio 2010) and MAT2009-14004 and by the Generalitat Valenciana (GVPRE/2008/198). Synthesis work at Brookhaven National Laboratory was supported by the US Department of Energy Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886. Initial collaborative work on this project led to the receipt of a Royal Society of Chemistry journals grant award to SSW. NR 41 TC 15 Z9 15 U1 0 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 9 BP 1690 EP 1698 DI 10.1039/c0nr00140f PG 9 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 647JD UT WOS:000281613800017 PM 20672170 ER PT J AU Miranda, A Malheiro, E Skiba, E Quaresma, P Carvalho, PA Eaton, P de Castro, B Shelnutt, JA Pereira, E AF Miranda, Adelaide Malheiro, Eliana Skiba, Elzbieta Quaresma, Pedro Carvalho, Patricia A. Eaton, Peter de Castro, Baltazar Shelnutt, John A. Pereira, Eulalia TI One-pot synthesis of triangular gold nanoplates allowing broad and fine tuning of edge length SO NANOSCALE LA English DT Article ID ENHANCED RAMAN-SCATTERING; AQUEOUS-SOLUTION APPROACH; HIGH-YIELD SYNTHESIS; CETYLTRIMETHYLAMMONIUM BROMIDE; POLY(VINYL PYRROLIDONE); CATIONIC SURFACTANTS; METAL NANOPARTICLES; OPTICAL-PROPERTIES; SILVER COLLOIDS; SERS MICROPROBE AB A photocatalytic approach was used to synthesize triangular nanoplates in aqueous solution. The synthesis is based on the reduction of a gold salt using a tin(IV) porphyrin as photocatalyst, cetyltrimethylammonium bromide (CTAB) as a stabilizing agent, and triethanolamine (TEA) as the final electron donor. The average edge length of the triangular nanoplates can be easily changed in the range 45-250 nm by varying the concentration of photocatalyst, and fine-tuning of the average edge length is achieved by varying the concentration of CTAB. Study of the mechanism of formation of the nanoplates by UV-vis and by transmission electron microscopy (TEM) shows that there is a first stage where formation of 5 nm seeds takes place, further growth is probably by fusion and by direct reduction of gold onto the preformed nanoparticles. The nanoparticles formed during the photocatalytic reduction of the gold precursor show an irregular shape that evolves to regular triangular nanoplates after ripening in solution for 24 h. C1 [Miranda, Adelaide; Malheiro, Eliana; Skiba, Elzbieta; Quaresma, Pedro; Eaton, Peter; de Castro, Baltazar; Pereira, Eulalia] Univ Porto, Fac Ciencias, REQUIMTE Dept Quim & Bioquim, P-4169007 Oporto, Portugal. [Carvalho, Patricia A.] Inst Super Tecn, Dept Mat Engn, P-1049001 Lisbon, Portugal. [Shelnutt, John A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. [Shelnutt, John A.] Univ Georgia, Dept Chem, Athens, GA 30602 USA. RP Pereira, E (reprint author), Univ Porto, Fac Ciencias, REQUIMTE Dept Quim & Bioquim, Rua Campo Alegre 687, P-4169007 Oporto, Portugal. EM eulalia.pereira@fc.up.pt RI Chaves, Pedro/K-1288-2013; REQUIMTE, MAT/M-4540-2013; Eaton, Peter/B-4906-2008; REQUIMTE, FMN/M-5611-2013; REQUIMTE, NSF/N-1636-2013; REQUIMTE, UCIBIO/N-9846-2013; REQUIMTE, LAQV/N-9835-2013; Shelnutt, John/A-9987-2009; Quaresma, Pedro/E-8155-2010; Pereira, Eulalia/A-6691-2013; Pereira, Eulalia/C-6282-2013; REQUIMTE, AL/H-9106-2013; Castro, Baltazar/D-8306-2013; carvalho, patricia/C-1150-2009; Carvalho, Patricia/D-8078-2015; Miranda, Adelaide/I-6605-2015; OI Eaton, Peter/0000-0003-1821-1992; Shelnutt, John/0000-0001-7368-582X; Quaresma, Pedro/0000-0001-7032-7760; Pereira, Eulalia/0000-0003-2086-5696; Castro, Baltazar/0000-0001-9097-0171; carvalho, patricia/0000-0002-5447-0409; Carvalho, Patricia/0000-0002-5447-0409; Miranda, Adelaide/0000-0003-3957-6288; Skiba, Elzbieta/0000-0001-8678-5256 FU Fundacao para a Ciencia e Tecnologia [PTDC/QUI/64484/2006, BD/17566/2004, BD/28209/2006]; Luso-American Foundation (FLAD); United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded in part by Fundacao para a Ciencia e Tecnologia through project PTDC/QUI/64484/2006 and by the Luso-American Foundation (FLAD). AM and PQ thank Fundacao para a Ciencia e Tecnologia for PhD grants BD/17566/2004 and BD/28209/2006, respectively. We thank Prof. Antonio Fernando Silva and CIQUP, Laboratorio de Quimica Analitica, Faculdade de Ciencias, Universidade do Porto for the use of the AFM. We thank Yan Qiu and Yujiang Song for some early TEM images of the nanotriangles. 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 62 TC 32 Z9 32 U1 1 U2 60 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 10 BP 2209 EP 2216 DI 10.1039/c0nr00337a PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 660YP UT WOS:000282686200046 PM 20714654 ER PT J AU Volotskova, O Levchenko, I Shashurin, A Raitses, Y Ostrikov, K Keidar, M AF Volotskova, O. Levchenko, I. Shashurin, A. Raitses, Y. Ostrikov, K. Keidar, M. TI Single-step synthesis and magnetic separation of graphene and carbon nanotubes in arc discharge plasmas SO NANOSCALE LA English DT Article ID NANOPARTICLES; GROWTH; ELECTRONICS; OXIDE AB The unique properties of graphene and carbon nanotubes made them the most promising nanomaterials attracting enormous attention, due to the prospects for applications in various nanodevices, from nanoelectronics to sensors and energy conversion devices. Here we report on a novel deterministic, single-step approach to simultaneous production and magnetic separation of graphene flakes and carbon nanotubes in an arc discharge by splitting the high-temperature growth and low-temperature separation zones using a non-uniform magnetic field and tailor-designed catalyst alloy, and depositing nanotubes and graphene in different areas. Our results are very relevant to the development of commercially-viable, single-step production of bulk amounts of high-quality graphene. C1 [Levchenko, I.; Ostrikov, K.] CSIRO Mat Sci & Engn, Plasma Nanosci Ctr Australia PNCA, Lindfield, NSW 2070, Australia. [Volotskova, O.; Shashurin, A.; Keidar, M.] George Washington Univ, Dept Mech & Aerosp Engn, Washington, DC 20052 USA. [Levchenko, I.; Ostrikov, K.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Raitses, Y.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ostrikov, K (reprint author), CSIRO Mat Sci & Engn, Plasma Nanosci Ctr Australia PNCA, POB 218, Lindfield, NSW 2070, Australia. EM Kostya.Ostrikov@csiro.au; keidar@gwu.edu OI Ostrikov, Kostya (Ken)/0000-0001-8672-9297 FU NSF [IIP-1010133, CBET-0853777]; DOE [DE-SC0001169]; Office of Fusion Energy Sciences; CSIRO; Australian Research Council FX This work was supported in part by NSF STTR program (NSF grant IIP-1010133) and NSF/DOE Partnership in Plasma Science and Technology (NSF grant CBET-0853777, DOE grant DE-SC0001169). We would like to acknowledge PPPL Offsite Research Program supported by Office of Fusion Energy Sciences for supporting arc experiments. Authors thank Jon Torrey for help with AFM and Jian Li for help with TEM. Authors thank Jeffrey Fagan and Frederick R. Phelan for stimulating discussions. This work was partially supported by CSIRO and Australian Research Council. NR 27 TC 67 Z9 67 U1 5 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 10 BP 2281 EP 2285 DI 10.1039/c0nr00416b PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 660YP UT WOS:000282686200057 PM 20714656 ER PT J AU Jiang, MJ Lim, B Tao, J Camargo, PHC Ma, C Zhu, YM Xia, YN AF Jiang, Majiong Lim, Byungkwon Tao, Jing Camargo, Pedro H. C. Ma, Chao Zhu, Yimei Xia, Younan TI Epitaxial overgrowth of platinum on palladium nanocrystals SO NANOSCALE LA English DT Article ID SHAPE-CONTROLLED SYNTHESIS; OXYGEN REDUCTION; METAL NANOCRYSTALS; FACILE SYNTHESIS; PD NANOCRYSTALS; GROWTH; NANOPARTICLES; NANOSTRUCTURES AB This paper describes a systematic study on the epitaxial overgrowth of Pt on well-defined Pd nanocrystals with different shapes (and exposed facets), including regular octahedrons, truncated octahedrons, and cubes. Two different reducing agents, i.e., citric acid and L-ascorbic acid, were evaluated and compared for the reduction of K2PtCl4 in an aqueous solution in the presence of Pd nanocrystal seeds. When citric acid was used as a reducing agent, conformal overgrowth of octahedral Pt shells on regular and truncated octahedrons of Pd led to the formation of Pd-Pt core-shell octahedrons, while non-conformal overgrowth of Pt on cubic Pd seeds resulted in the formation of an incomplete octahedral Pt shell. On the contrary, localized overgrowth of Pt branches was observed when L-ascorbic acid was used as a reducing agent regardless of the facets expressed on the surface of Pd nanocrystal seeds. This work shows that both the binding affinity of a reducing agent to the Pt surface and the reduction kinetics for a Pt precursor play important roles in determining the mode of Pt overgrowth on Pd nanocrystal surface. C1 [Lim, Byungkwon; Camargo, Pedro H. C.; Xia, Younan] Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA. [Jiang, Majiong] Washington Univ, Dept Chem, St Louis, MO 63130 USA. [Tao, Jing; Ma, Chao; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Lim, B (reprint author), Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA. EM limb@seas.wustl.edu; xia@biomed.wustl.edu RI Camargo, Pedro/D-9547-2011; Jiang, Maijong/E-3794-2012; Jiang, Majiong/I-3630-2013; Xia, Younan/E-8499-2011; Institute of Chemistry - USP, Dept. of Chemistry/B-8988-2012; Ma, Chao/J-4569-2015 OI Camargo, Pedro/0000-0002-7815-7919; FU NSF [DMR-0804088, ECS-0335765]; Washington University in St. Louis FX This work was supported in part by the NSF (DMR-0804088) and startup funds from Washington University in St. Louis. Part of the work research performed at the Nano Research Facility (NRF), a member of the National Nanotechnology Infrastructure Network (NNIN), which is supported by the National Science Foundation under award no. ECS-0335765. NR 32 TC 48 Z9 48 U1 6 U2 82 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2010 VL 2 IS 11 BP 2406 EP 2411 DI 10.1039/c0nr00324g PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 676SK UT WOS:000283938600014 PM 21080571 ER PT J AU Duda, JC Hopkins, PE Smoyer, JL Bauer, ML English, TS Saltonstall, CB Norris, PM AF Duda, John C. Hopkins, Patrick E. Smoyer, Justin L. Bauer, Matthew L. English, Timothy S. Saltonstall, Christopher B. Norris, Pamela M. TI On the Assumption of Detailed Balance in Prediction of Diffusive Transmission Probability During Interfacial Transport SO NANOSCALE AND MICROSCALE THERMOPHYSICAL ENGINEERING LA English DT Article DE detailed balance; diffuse scattering; thermal boundary conductance AB Models intended to predict interfacial transport often rely on the principle of detailed balance when formulating the interfacial carrier transmission probability. However, assumptions invoked significantly impact predictions. Here, we present six derivations of the transmission probability, each subject to a different set of preliminary assumptions regarding the type of scattering at the interface. Application of each case to phonon flux and thermal boundary conductance allows for a final quantitative comparison. Depending on the preliminary assumptions, predictions for thermal boundary conductance span over two orders of magnitude, demonstrating the need for transparency when assessing the accuracy of any predictive model. C1 [Duda, John C.; Smoyer, Justin L.; Bauer, Matthew L.; English, Timothy S.; Saltonstall, Christopher B.; Norris, Pamela M.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. [Hopkins, Patrick E.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. RP Duda, JC (reprint author), Univ Virginia, Dept Mech & Aerosp Engn, 122 Engineers Way, Charlottesville, VA 22904 USA. EM duda@virginia.edu RI Duda, John/A-7214-2011 FU Office of Naval Research [N00014-07-1-0723]; Air Force Office of Scientific Research [FA9550-09-1-0245]; National Science Foundation; LDRD program office through the Sandia National Laboratories Harry S. Truman Fellowship FX The authors at U. Va. acknowledge the financial support of Office of Naval Research through a MURI grant (Grant No. N00014-07-1-0723) and the financial support of Air Force Office of Scientific Research (Grant No. FA9550-09-1-0245). J. C. D. is greatly appreciative for financial support from the National Science Foundation through the Graduate Research Fellowship Program. P. E. H. is grateful for funding from the LDRD program office through the Sandia National Laboratories Harry S. Truman Fellowship. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United StatesDepartment of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 12 TC 24 Z9 25 U1 1 U2 8 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1556-7265 J9 NANOSC MICROSC THERM JI Nanoscale Microscale Thermophys. Eng. PY 2010 VL 14 IS 1 BP 21 EP 33 AR PII 919766286 DI 10.1080/15567260903530379 PG 13 WC Thermodynamics; Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Characterization & Testing; Physics, Applied SC Thermodynamics; Engineering; Science & Technology - Other Topics; Materials Science; Physics GA 566ZQ UT WOS:000275412400002 ER PT J AU Hopkins, PE Beechem, TE AF Hopkins, Patrick E. Beechem, Thomas E. TI Phonon Scattering and Velocity Considerations in the Minimum Phonon Thermal Conductivity of Layered Solids above the Plateau SO NANOSCALE AND MICROSCALE THERMOPHYSICAL ENGINEERING LA English DT Article DE minimum thermal conductivity; phonons; interfaces; disorder; layered structures ID LATTICE-VIBRATIONS; HEAT-TRANSPORT; GLASSES; SUPERLATTICES; CRYSTALS AB The minimum thermal conductivity of amorphous solids is investigated by implementing Einstein's original assumption of scattering at every lattice point within the framework of nonlocalized coupled oscillators. By separating the phase velocity and group velocity, thermal conductivity predictions agree well with experimental results indicating that it is necessary to account for both energy transport via hopping of localized modes (fractons) as well propagation of nonlocalized modes (phonons). The further reduction of thermal conductivity in layered structures is then examined by considering the scattering rates by atoms with a different binding force within the context of these minimum conductivity models. C1 [Hopkins, Patrick E.; Beechem, Thomas E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hopkins, PE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pehopki@sandia.gov FU Harry S. Truman Fellowship FX P. E. H. is greatly appreciative for funding by the Harry S. Truman Fellowship Program through the LDRD Program Office at Sandia National Laboratories. We thank Alan McGaughey at Carnegie Mellon and Edward Piekos at Sandia for insightful discussions. 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 23 TC 13 Z9 13 U1 0 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1556-7265 J9 NANOSC MICROSC THERM JI Nanoscale Microscale Thermophys. Eng. PY 2010 VL 14 IS 1 BP 51 EP 61 AR PII 919766570 DI 10.1080/15567261003601805 PG 11 WC Thermodynamics; Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Characterization & Testing; Physics, Applied SC Thermodynamics; Engineering; Science & Technology - Other Topics; Materials Science; Physics GA 566ZQ UT WOS:000275412400004 ER PT S AU Meek, ST Houk, RJT Doty, FP Allendorf, MD AF Meek, S. T. Houk, R. J. T. Doty, F. P. Allendorf, M. D. BE Lockwood, DJ Mascher, P TI Luminescent Metal-Organic Frameworks: A Nanolaboratory for Probing Energy Transfer via Interchromophore Interactions SO NANOSCALE LUMINESCENT MATERIALS SE ECS Transactions LA English DT Proceedings Paper CT 1st International Symposium on Nanoscale Luminescent Materials as Part of the 217th Meeting of the Electrochemical-Society (ECS) CY APR 25-30, 2010 CL Vancouver, CANADA SP Electrochem Soc (ECS), Luminescence & Display Mat Div, Dielect Sci & Technol Div ID ISORETICULAR MOFS AB The spectroscopic properties IRMOF-1, -8, -9, -10, -15, and -16 have been explored. Analysis of the excitation and emission spectra and crystal structures of these compounds suggests several structure-to-properties relationships. The spectra of IRMOF-8 support previous conclusions that extending pi-conjugation decreases linker-metal charge transfer. Comparison of interpenetrated IRMOF-9 and -15 and non-interpenetrated IRMOF-10 and -16 suggest that interpenetration induces greater charge transfer, due to smaller linker-linker and linker-to-metal distances. IRMOF-9 displays wavelength-dependent emission, which we believe arises from asymmetries in its crystal structure, allowing for multiple charge transfer interactions. C1 [Meek, S. T.; Houk, R. J. T.; Doty, F. P.; Allendorf, M. D.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Meek, ST (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. NR 13 TC 5 Z9 5 U1 3 U2 12 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-143-4 J9 ECS TRANSACTIONS PY 2010 VL 28 IS 3 BP 137 EP 143 DI 10.1149/1.3367219 PG 7 WC Electrochemistry; Nanoscience & Nanotechnology SC Electrochemistry; Science & Technology - Other Topics GA BDI63 UT WOS:000313492500013 ER PT S AU Meulenberg, RW Lee, JRI McCall, SK Haskel, D Lang, JC Terminello, LJ van Buuren, T AF Meulenberg, Robert W. Lee, Jonathan R. I. McCall, Scott K. Haskel, Daniel Lang, Jonathan C. Terminello, Louis J. van Buuren, Tony BE Lockwood, DJ Mascher, P TI Surface Manipulation of the Magnetic Properties of CdSe Quantum Dots SO NANOSCALE LUMINESCENT MATERIALS SE ECS Transactions LA English DT Proceedings Paper CT 1st International Symposium on Nanoscale Luminescent Materials as Part of the 217th Meeting of the Electrochemical-Society (ECS) CY APR 25-30, 2010 CL Vancouver, CANADA SP Electrochem Soc (ECS), Luminescence & Display Mat Div, Dielect Sci & Technol Div ID NANOCRYSTALS AB We provide conclusive evidence that organic ligands used to coat CdSe quantum dots (QDs) have a fundamentally important effect upon their magnetic properties. Using x-ray absorption spectroscopy, magnetometry and x-ray magnetic circular dichroism, we demonstrate that the choice of organic ligand can be used to tune the magnetic properties. Moreover, our results suggest that a pi-backbonding mechanism between the surface Cd atoms and the organic surfactants is responsible for the magnetic behavior of the QDs and that, contrary to previous reports, they exhibit paramagnetic and not ferromagnetic behavior. The potential impact of this research in the field is considerable with the possibility of the development of new and exciting magnetooptic luminescent nanostructures. C1 [Meulenberg, Robert W.] Univ Maine, Lab Surface Sci & Technol, Orono, ME 04469 USA. [Lee, Jonathan R. I.; McCall, Scott K.; Haskel, Daniel; Terminello, Louis J.; van Buuren, Tony] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Haskel, Daniel; Lang, Jonathan C.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Meulenberg, RW (reprint author), Univ Maine, Lab Surface Sci & Technol, Orono, ME 04469 USA. RI McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 FU LLNL [07LW-041, DE-AC52-07NA27344]; Office of Basic Energy Sciences; Division of Materials Science; U.S. DOE; U.S. DOE, Office of Science; OBES [DEAC02-06CH11357] FX The authors would like to E. J. Nelson for the TOF-SIMS measurements. Project 07LW-041 was funded by the LDRD Program at LLNL. This work was partially supported by the Office of Basic Energy Sciences, Division of Materials Science, under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. Use of the APS was supported by the U.S. DOE, Office of Science, OBES, under Contract DEAC02-06CH11357. NR 16 TC 0 Z9 0 U1 0 U2 6 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-143-4 J9 ECS TRANSACTIONS PY 2010 VL 28 IS 3 BP 203 EP 213 DI 10.1149/1.3367227 PG 11 WC Electrochemistry; Nanoscience & Nanotechnology SC Electrochemistry; Science & Technology - Other Topics GA BDI63 UT WOS:000313492500021 ER PT B AU Eres, G Geohegan, DB Puretzky, AA Rouleau, CM AF Eres, Gyula Geohegan, D. B. Puretzky, A. A. Rouleau, C. M. BE Korkin, A Krstic, PS Wells, JC TI All Carbon Nanotubes Are Not Created Equal SO NANOTECHNOLOGY FOR ELECTRONICS, PHOTONICS, AND RENEWABLE ENERGY SE Nanostructure Science and Technology LA English DT Article; Book Chapter ID CHEMICAL-VAPOR-DEPOSITION; GROWTH-KINETICS; CATALYSTS AB This chapter presents the various factors that enter into consideration when choosing the source of carbon nanotubes for a specific application. Carbon nanotubes are giant molecules made of pure carbon. They have captured the imagination of the scientific community by the unique structure that provides superior physical, chemical, and electrical properties. However, a surprisingly wide disparity exists between the intrinsic properties determined under ideal conditions and the properties that carbon nanotubes exhibit in real-world situations. The lack of uniformity in carbon nanotube properties is likely to be the main obstacle holding back the development of carbon nanotube applications. This tutorial addresses the nonuniformity of carbon nanotube properties from the synthesis standpoint. This synthesis-related nonuniformity is on top of the intrinsic chirality distribution that gives the similar to 1:2 ratio of metallic to semiconducting nanotubes. From the standpoint of carbon bonding chemistry the variation in the quality and reproducibility of carbon nanotube materials is not unexpected. It is an intrinsic feature that is related to the metastability of carbon structures. The extent to which this effect is manifested in carbon nanotube formation is governed by the type and kinetics of the carbon nanotube synthesis reaction. Addressing this variation is critical if nanotubes are to live up to the potential already demonstrated by their phenomenal physical properties. C1 [Eres, Gyula; Geohegan, D. B.; Puretzky, A. A.; Rouleau, C. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Eres, G (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. EM eresg@ornl.gov NR 48 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4419-7234-7 J9 NANOSTRUCT SCI TECHN PY 2010 BP 131 EP 152 DI 10.1007/978-1-4419-7454-9_4 D2 10.1007/978-1-4419-7454-9 PG 22 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Science & Technology - Other Topics; Materials Science; Optics GA BSR00 UT WOS:000285524300004 ER PT B AU Thundat, T Van Neste, CW Senesac, LR Krause, AR AF Thundat, Thomas Van Neste, Charles W. Senesac, Larry R. Krause, Adam R. BE Korkin, A Krstic, PS Wells, JC TI Photothermal Sensing of Chemical Vapors Using Microcantilevers SO NANOTECHNOLOGY FOR ELECTRONICS, PHOTONICS, AND RENEWABLE ENERGY SE Nanostructure Science and Technology LA English DT Article; Book Chapter ID MICROCALORIMETRIC SPECTROSCOPY; BACILLUS-CEREUS; SURFACE STRESS; SENSORS; CANTILEVERS; EXPLOSIVES; FREQUENCY AB Although microfabricated cantilevers have been used for detecting a variety of chemicals with high sensitivity, their selectivity appears to be poor. This selectivity problem is directly related to the poor selectivity of chemical interfaces immobilized on cantilever surfaces. Here we discuss two cantilever-based techniques that can be used for obtaining orthogonal signals for multimodal operation for enhanced selectivity. The first technique is based on photothermal deflection spectroscopy where selectivity is achieved through a mechanical response due to optical absorption by the adsorbed molecules on a cantilever. In the second technique, the position of the resonance frequency peak of the cantilever is monitored for shifting due to mass loading. This technique allows the precise measurement of the mass of the surface-adsorbed molecules. These two methods are demonstrated for adsorbed explosives. C1 [Thundat, Thomas; Van Neste, Charles W.; Senesac, Larry R.; Krause, Adam R.] Oak Ridge Natl Lab, Nanoscale Sci & Devices Grp, Oak Ridge, TN 37831 USA. RP Thundat, T (reprint author), Oak Ridge Natl Lab, Nanoscale Sci & Devices Grp, POB 2008, Oak Ridge, TN 37831 USA. EM thundattg@ornl.gov NR 22 TC 0 Z9 0 U1 2 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4419-7234-7 J9 NANOSTRUCT SCI TECHN PY 2010 BP 183 EP 191 DI 10.1007/978-1-4419-7454-9_6 D2 10.1007/978-1-4419-7454-9 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Science & Technology - Other Topics; Materials Science; Optics GA BSR00 UT WOS:000285524300006 ER PT B AU Krstic, PS AF Krstic, Predrag S. BE Korkin, A Krstic, PS Wells, JC TI Nanoelectronics for DNA Sensing SO NANOTECHNOLOGY FOR ELECTRONICS, PHOTONICS, AND RENEWABLE ENERGY SE Nanostructure Science and Technology LA English DT Article; Book Chapter ID NANOPORE SEQUENCING TECHNOLOGY; WALLED CARBON NANOTUBES; MOLECULAR-DYNAMICS; PAUL TRAP; IONS; CONDUCTANCE; TRANSLOCATION; TRANSPORT; BASES C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Krstic, PS (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM krsticp@ornl.gov NR 47 TC 1 Z9 1 U1 2 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4419-7234-7 J9 NANOSTRUCT SCI TECHN PY 2010 BP 193 EP 209 DI 10.1007/978-1-4419-7454-9_7 D2 10.1007/978-1-4419-7454-9 PG 17 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Science & Technology - Other Topics; Materials Science; Optics GA BSR00 UT WOS:000285524300007 ER PT J AU Hubbard, SM Raffaelle, R Bailey, S AF Hubbard, Seth M. Raffaelle, Ryne Bailey, Sheila BE Tsakalakos, L TI Quantum Dot Solar Cells SO NANOTECHNOLOGY FOR PHOTOVOLTAICS LA English DT Article; Book Chapter ID CHEMICAL-VAPOR-DEPOSITION; TRANSMISSION-ELECTRON-MICROSCOPY; SELF-ORGANIZATION PROCESSES; ENERGY-CONVERSION; STRAIN-COMPENSATION; EPITAXIAL-GROWTH; GAAS; EFFICIENCY; INGAAS; SUPERLATTICES C1 [Hubbard, Seth M.] Rochester Inst Technol, Dept Phys, Grad Fac Microsyst Engn, Grad Fac Golisano,Inst Sustainabil, Rochester, NY 14623 USA. [Raffaelle, Ryne] Natl Ctr Photovolta, Natl Renewable Energy Lab, Golden, CO USA. [Bailey, Sheila] NASA, Photovolta & Space Environm Branch RPV, Glenn Res Ctr, Cleveland, OH USA. RP Hubbard, SM (reprint author), Rochester Inst Technol, Dept Phys, Grad Fac Microsyst Engn, Grad Fac Golisano,Inst Sustainabil, Rochester, NY 14623 USA. NR 85 TC 1 Z9 1 U1 0 U2 2 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7675-2 PY 2010 BP 279 EP 322 DI 10.1201/9781420076752-c8 D2 10.1201/9781420076752 PG 44 WC Energy & Fuels; Nanoscience & Nanotechnology; Physics, Applied SC Energy & Fuels; Science & Technology - Other Topics; Physics GA BSP54 UT WOS:000285293100009 ER PT J AU Carnes, EC Lopez, DM Donegan, NP Cheung, A Gresham, H Timmins, GS Brinker, CJ AF Carnes, Eric C. Lopez, DeAnna M. Donegan, Niles P. Cheung, Ambrose Gresham, Hattie Timmins, Graham S. Brinker, C. Jeffrey TI Confinement-induced quorum sensing of individual Staphylococcus aureus bacteria SO NATURE CHEMICAL BIOLOGY LA English DT Article ID TO-CELL COMMUNICATION; VIRULENCE; EXPRESSION; DIFFUSION; IDENTIFICATION; INFECTION; ENDOSOME; ESCAPE AB It is postulated that in addition to cell density, other factors such as the dimensions and diffusional characteristics of the environment could influence quorum sensing (QS) and induction of genetic reprogramming. Modeling studies predict that QS may operate at the level of a single cell, but, owing to experimental challenges, the potential benefits of QS by individual cells remain virtually unexplored. Here we report a physical system that mimics isolation of a bacterium, such as within an endosome or phagosome during infection, and maintains cell viability under conditions of complete chemical and physical isolation. For Staphylococcus aureus, we show that quorum sensing and genetic reprogramming can occur in a single isolated organism. Quorum sensing allows S. aureus to sense confinement and to activate virulence and metabolic pathways needed for survival. To demonstrate the benefit of confinement-induced quorum sensing to individuals, we showed that quorum-sensing bacteria have significantly greater viability over non-QS bacteria. C1 [Carnes, Eric C.; Lopez, DeAnna M.; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Donegan, Niles P.; Cheung, Ambrose] Dartmouth Coll, Hitchcock Med Ctr, Dartmouth Med Sch, Dept Microbiol, Hanover, NH 03756 USA. [Gresham, Hattie] New Mexico Vet Adm Hlth Care Syst, Albuquerque, NM USA. [Timmins, Graham S.] Univ New Mexico, Coll Pharm, Albuquerque, NM 87131 USA. [Brinker, C. Jeffrey] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet & Microbiol, Albuquerque, NM 87131 USA. RP Brinker, CJ (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. EM cjbrink@sandia.gov OI timmins, graham/0000-0002-4971-718X FU US Air Force Office of Scientific Research (AFOSR) [FA 9550-07-1-0054]; US National Science Foundation [DGE-0504276]; Defense Threat Reduction Agency [B0844671]; US National Institutes of Health (NIH) [AI-037142, AI-047441]; NIH [R01 AI-064926]; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; Sandia National Laboratories; NIH/Roadmap for Medical Research [PHS 2 PN2 EY016570B]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX E.C.C. was supported by US Air Force Office of Scientific Research (AFOSR) grant FA 9550-07-1-0054 and US National Science Foundation Integrative Graduate Education and Research Traineeship Fellowship grant DGE-0504276. D.M.L. was supported by AFOSR grant FA 9550-07-1-0054 and Defense Threat Reduction Agency grant B0844671. N.P.D., A.C. and G.S.T. were supported by US National Institutes of Health (NIH) grants AI-037142 and AI-047441. H.G. was supported by NIH grant R01 AI-064926. C.J.B. was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering and Sandia National Laboratories' Laboratory Directed Research and Development program. Further support was provided by the NIH/Roadmap for Medical Research grant PHS 2 PN2 EY016570B. The authors also acknowledge L. Kenney and M. Federle for useful comments. Some images in this paper were generated in the University of New Mexico Cancer Center Fluorescence Microscopy Facility, supported as detailed at http://hsc.unm.edu/crtc/microscopy/Facility.html. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 29 TC 93 Z9 93 U1 4 U2 38 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 JAN PY 2010 VL 6 IS 1 BP 41 EP 45 DI 10.1038/NCHEMBIO.264 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 533DJ UT WOS:000272802500010 PM 19935660 ER PT J AU Witham, CA Huang, WY Tsung, CK Kuhn, JN Somorjai, GA Toste, FD AF Witham, Cole A. Huang, Wenyu Tsung, Chia-Kuang Kuhn, John N. Somorjai, Gabor A. Toste, F. Dean TI Converting homogeneous to heterogeneous in electrophilic catalysis using monodisperse metal nanoparticles SO NATURE CHEMISTRY LA English DT Article ID DENDRIMER-ENCAPSULATED NANOPARTICLES; PLATINUM NANOPARTICLES; PALLADIUM NANOPARTICLES; PYRROLE HYDROGENATION; POLY(AMIDOAMINE) DENDRIMERS; THERMAL-DECOMPOSITION; COUPLING REACTIONS; MESOPOROUS SILICA; AQUEOUS-SOLUTION; SINGLE-CRYSTAL AB A continuing goal in catalysis is to unite the advantages of homogeneous and heterogeneous catalytic processes. To this end, nanoparticles represent a new frontier in heterogeneous catalysis, where this unification can also be supplemented by the ability to obtain new or divergent reactivity and selectivity. We report a novel method for applying heterogeneous catalysts to known homogeneous catalytic reactions through the design and synthesis of electrophilic platinum nanoparticles. These nanoparticles are selectively oxidized by the hypervalent iodine species PhICl2, and catalyse a range of pi-bond activation reactions previously only catalysed through homogeneous processes. Multiple experimental methods are used to unambiguously verify the heterogeneity of the catalytic process. The discovery of treatments for nanoparticles that induce the desired homogeneous catalytic activity should lead to the further development of reactions previously inaccessible in heterogeneous catalysis. Furthermore, a size and capping agent study revealed that Pt PAMAM dendrimer-capped nanoparticles demonstrate superior activity and recyclability compared with larger, polymer-capped analogues. C1 [Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu; fdtoste@berkeley.edu RI Huang, Wenyu/L-3784-2014; OI Huang, Wenyu/0000-0003-2327-7259; Toste, F. Dean/0000-0001-8018-2198 FU US DOE [DE-AC02-05CH11231] FX We acknowledge support from the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geological and Biosciences of the US DOE under Contract DE-AC02-05CH11231. NR 46 TC 147 Z9 147 U1 15 U2 143 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD JAN PY 2010 VL 2 IS 1 BP 36 EP 41 DI 10.1038/NCHEM.468 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 533EP UT WOS:000272806800013 PM 21124378 ER PT J AU Somayazulu, M Dera, P Goncharov, AF Gramsch, SA Liermann, P Yang, W Liu, Z Mao, HK Hemley, RJ AF Somayazulu, Maddury Dera, Przemyslaw Goncharov, Alexander F. Gramsch, Stephen A. Liermann, Peter Yang, Wenge Liu, Zhenxian Mao, Ho-kwang Hemley, Russell J. TI Pressure-induced bonding and compound formation in xenon-hydrogen solids SO NATURE CHEMISTRY LA English DT Article ID SYNCHROTRON INFRARED-SPECTROSCOPY; INSULATOR-METAL TRANSITION; X-RAY-DIFFRACTION; EQUATION-OF-STATE; MEGABAR PRESSURES; METALLIZATION; STABILITY; MOLECULES; HELIUM; NOBLE AB Closed electron shell systems, such as hydrogen, nitrogen or group 18 elements, can form weakly bound stoichiometric compounds at high pressures. An understanding of the stability of these van der Waals compounds is lacking, as is information on the nature of their interatomic interactions. We describe the formation of a stable compound in the Xe-H-2 binary system, revealed by a suite of X-ray diffraction and optical spectroscopy measurements. At 4.8 GPa, a unique hydrogen-rich structure forms that can be viewed as a tripled solid hydrogen lattice modulated by layers of xenon, consisting of xenon dimers. Varying the applied pressure tunes the Xe-Xe distances in the solid over a broad range from that of an expanded xenon lattice to the distances observed in metallic xenon at megabar pressures. Infrared and Raman spectra indicate a weakening of the intramolecular covalent bond as well as persistence of semiconducting behaviour in the compound to at least 255 GPa. C1 [Somayazulu, Maddury; Goncharov, Alexander F.; Gramsch, Stephen A.; Liu, Zhenxian; Mao, Ho-kwang; Hemley, Russell J.] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Dera, Przemyslaw] Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. [Liermann, Peter; Yang, Wenge; Mao, Ho-kwang] Carnegie Inst Sci, Adv Photon Source, HPCAT, Washington, DC 20015 USA. RP Somayazulu, M (reprint author), Carnegie Inst Sci, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA. EM zulu@gl.ciw.edu RI Yang, Wenge/H-2740-2012; Dera, Przemyslaw/F-6483-2013 FU DOE [DE-FG02-06ER46280, DE-AC02-06CH11357, DE-AC02-98CH10886]; NSF [DMR-0805056]; Balzan Foundation FX The authors thank V. V. Struzhkin, G. Shen, Y. Meng and S. Sinogeikin for assistance and discussions. This work was supported by DOE-BES (DE-FG02-06ER46280), DOE-NNSA (CDAC), NSF-DMR (DMR-0805056), NSF-EAR (COMPRES) and the Balzan Foundation. A. P. S. is supported by DOE-BES under contract DE-AC02-06CH11357 and N. S. L. S. is supported by DOE-BES under contract no. DE-AC02-98CH10886. NR 30 TC 55 Z9 55 U1 3 U2 39 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 JAN PY 2010 VL 2 IS 1 BP 50 EP 53 DI 10.1038/NCHEM.445 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 533EP UT WOS:000272806800015 PM 21124380 ER PT J AU Cirstea, IC Kutsche, K Dvorsky, R Gremer, L Carta, C Horn, D Roberts, AE Lepri, F Merbitz-Zahradnik, T Konig, R Kratz, CP Pantaleoni, F Dentici, ML Joshi, VA Kucherlapati, RS Mazzanti, L Mundlos, S Patton, MA Silengo, MC Rossi, C Zampino, G Digilio, C Stuppia, L Seemanova, E Pennacchio, LA Gelb, BD Dallapiccola, B Wittinghofer, A Ahmadian, MR Tartaglia, M Zenker, M AF Cirstea, Ion C. Kutsche, Kerstin Dvorsky, Radovan Gremer, Lothar Carta, Claudio Horn, Denise Roberts, Amy E. Lepri, Francesca Merbitz-Zahradnik, Torsten Koenig, Rainer Kratz, Christian P. Pantaleoni, Francesca Dentici, Maria L. Joshi, Victoria A. Kucherlapati, Raju S. Mazzanti, Laura Mundlos, Stefan Patton, Michael A. Silengo, Margherita Cirillo Rossi, Cesare Zampino, Giuseppe Digilio, Cristina Stuppia, Liborio Seemanova, Eva Pennacchio, Len A. Gelb, Bruce D. Dallapiccola, Bruno Wittinghofer, Alfred Ahmadian, Mohammad R. Tartaglia, Marco Zenker, Martin TI A restricted spectrum of NRAS mutations causes Noonan syndrome SO NATURE GENETICS LA English DT Article ID RAS PROTEINS; DISORDERS; CANCER; SWITCH; KRAS AB Noonan syndrome, a developmental disorder characterized by congenital heart defects, reduced growth, facial dysmorphism and variable cognitive deficits, is caused by constitutional dysregulation of the RAS-MAPK signaling pathway. Here we report that germline NRAS mutations conferring enhanced stimulus-dependent MAPK activation account for some cases of this disorder. These findings provide evidence for an obligate dependency on proper NRAS function in human development and growth. C1 [Wittinghofer, Alfred; Zenker, Martin] Max Planck Inst Mol Physiol, Dept Biol Struct, D-44139 Dortmund, Germany. [Cirstea, Ion C.; Dvorsky, Radovan; Gremer, Lothar; Merbitz-Zahradnik, Torsten; Ahmadian, Mohammad R.] Univ Dusseldorf, Med Ctr, Inst Biochem & Mol Biol 2, Dusseldorf, Germany. [Kutsche, Kerstin] Univ Klinikum Hamburg Eppendorf, Inst Humangenet, Hamburg, Germany. [Carta, Claudio; Pantaleoni, Francesca; Tartaglia, Marco] Ist Super Sanita, Dipartimento Ematol Oncol & Med Mol, I-00161 Rome, Italy. [Horn, Denise; Mundlos, Stefan] Charite, Inst Med Genet, D-13353 Berlin, Germany. [Roberts, Amy E.; Joshi, Victoria A.; Kucherlapati, Raju S.] Harvard Univ, Sch Med, Boston, MA USA. [Roberts, Amy E.] Childrens Hosp, Dept Cardiol, Boston, MA 02115 USA. [Lepri, Francesca; Dentici, Maria L.; Dallapiccola, Bruno] Ist Ricovero & Cura Carattere Sci Casa Sollievo S, San Giovanni Rotondo, Italy. [Lepri, Francesca; Dentici, Maria L.; Dallapiccola, Bruno] Casa Sollievo Sofferenza Ist Mendel, Rome, Italy. [Koenig, Rainer] Goethe Univ Frankfurt, Inst Human Genet, Frankfurt, Germany. [Kratz, Christian P.] NCI, Clin Genet Branch, Div Canc Epidemiol & Genet, Rockville, MD USA. [Kratz, Christian P.] Univ Freiburg, Dept Paediat & Adolescent Med, Freiburg, Germany. [Joshi, Victoria A.] Partners HealthCare Ctr Personalized Genet Med, Boston, MA USA. [Joshi, Victoria A.] Massachusetts Gen Hosp, Dept Pathol, Boston, MA 02114 USA. [Mazzanti, Laura] Univ Bologna, Dipartimento Pediat, Bologna, Italy. [Patton, Michael A.] Univ London St Georges Hosp, Dept Clin Genet, London, England. [Silengo, Margherita Cirillo] Univ Turin, Dipartimento Pediat, Turin, Italy. [Rossi, Cesare] St Orsola Marcello Malpighi Hosp, Unita Operat Genet Med, Bologna, Italy. [Zampino, Giuseppe] Univ Cattolica Sacro Cuore, Ist Clin Pediat, Rome, Italy. [Digilio, Cristina] Bambino Gesu Pediat Hosp, Sez Genet Med, Rome, Italy. [Stuppia, Liborio] Univ G DAnnunzio, Dipartimento Sci Biomed, Chieti, Italy. [Seemanova, Eva] Charles Univ Prague, Univ Hosp Prague, Inst Biol & Med Genet, Prague, Czech Republic. [Pennacchio, Len A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. [Pennacchio, Len A.] US DOE, Joint Genome Inst, Walnut Creek, CA USA. [Gelb, Bruce D.] Mt Sinai Sch Med, Ctr Mol Cardiol, New York, NY USA. [Gelb, Bruce D.] Mt Sinai Sch Med, Dept Pediat, New York, NY USA. [Gelb, Bruce D.] Mt Sinai Sch Med, Dept Genet & Genom Sci, New York, NY USA. [Zenker, Martin] Univ Erlangen Nurnberg, Inst Human Genet, Univ Hosp Erlangen, D-8520 Erlangen, Germany. [Zenker, Martin] Otto Von Guericke Univ, Univ Hosp Magdeburg, Inst Human Genet, Magdeburg, Germany. RP Zenker, M (reprint author), Max Planck Inst Mol Physiol, Dept Biol Struct, Rheinlanddamm 201, D-44139 Dortmund, Germany. EM reza.ahmadian@uni-duesseldorf.de; mtartaglia@iss.it; martin.zenker@med.ovgu.de RI Carta, Claudio/A-7305-2013; Gremer, Lothar/H-9128-2013; Dallapiccola, Bruno/K-8692-2016; OI Gremer, Lothar/0000-0001-7065-5027; Lepri, Francesca Romana/0000-0001-5331-0473; Dallapiccola, Bruno/0000-0002-5031-1013; Silengo, Margherita/0000-0002-6255-1532; Tartaglia, Marco/0000-0001-7736-9672; Stuppia, Liborio/0000-0002-6232-0996 FU European Research Area Network; German Research Foundation (DFG) [AH 92/5-1, KR 3473/1-1, ZE 524/4-1]; German Ministry of Science and Education [01GS08100]; Telethon-Italy [GGP07115]; Associazione Italiana Sindromi di Costello e Cardiofaciocutanea; Collaborazione Italia-USA/malattie rare FX We are grateful to the subjects and their families for participating in this study. We thank A. Diem and B. Quinger (Institute of Human Genetics, Erlangen, Germany), T. Squatriti and S. Venanzi (Istituto Superiore di Sanita, Rome, Italy) and I. Jantke and S. Lorenz (Institut fur Humangenetik, Hamburg, Germany) for skillful technical assistance. The X-ray diffraction datasets were collected at the Swiss Light Source, beamline X10SA, Paul Scherrer Institut, Villigen, Switzerland. This work was supported by grants from the European Research Area Network for research programs on rare diseases (E-Rare) 2009 to M. T., M. Z. and M. R. A. (European Network on Noonan Syndrome and Related Disorders), German Research Foundation (DFG) to M. R. A. (AH 92/5-1) and C. P. K. and M. Z. (KR 3473/1-1 and ZE 524/4-1), Nationales Genomforschungsnetz Plus program of the German Ministry of Science and Education to M. R. A. (BMBF, grant 01GS08100), and Telethon-Italy (GGP07115), 'Associazione Italiana Sindromi di Costello e Cardiofaciocutanea' and 'Collaborazione Italia-USA/malattie rare' to M. T. NR 14 TC 117 Z9 119 U1 1 U2 10 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD JAN PY 2010 VL 42 IS 1 BP 27 EP 29 DI 10.1038/ng.497 PG 3 WC Genetics & Heredity SC Genetics & Heredity GA 536PA UT WOS:000273055100012 PM 19966803 ER PT J AU Lillemeier, BF Mortelmaier, MA Forstner, MB Huppa, JB Groves, JT Davis, MM AF Lillemeier, Bjoern F. Moertelmaier, Manuel A. Forstner, Martin B. Huppa, Johannes B. Groves, Jay T. Davis, Mark M. TI TCR and Lat are expressed on separate protein islands on T cell membranes and concatenate during activation SO NATURE IMMUNOLOGY LA English DT Article ID FC-EPSILON-RI; PLASMA-MEMBRANE; SIGNALING MOLECULES; CORRELATION SPECTROSCOPY; RECEPTOR MICROCLUSTERS; MULTIVALENT STRUCTURE; ANTIGEN RECEPTOR; SPATIAL-PATTERNS; MICROSCOPY; TRACKING AB The organization and dynamics of receptors and other molecules in the plasma membrane are not well understood. Here we analyzed the spatio-temporal dynamics of T cell antigen receptor (TCR) complexes and linker for activation of T cells (Lat), a key adaptor molecule in the TCR signaling pathway, in T cell membranes using high-speed photoactivated localization microscopy, dual-color fluorescence cross-correlation spectroscopy and transmission electron microscopy. In quiescent T cells, both molecules existed in separate membrane domains (protein islands), and these domains concatenated after T cell activation. These concatemers were identical to signaling microclusters, a prominent hallmark of T cell activation. This separation versus physical juxtapositioning of receptor domains and domains containing downstream signaling molecules in quiescent versus activated T cells may be a general feature of plasma membrane-associated signal transduction. C1 [Lillemeier, Bjoern F.; Moertelmaier, Manuel A.; Huppa, Johannes B.; Davis, Mark M.] Stanford Univ, Howard Hughes Med Inst, Dept Microbiol & Immunol, Sch Med, Stanford, CA 94305 USA. [Forstner, Martin B.; Groves, Jay T.] Univ Calif Berkeley, Howard Hughes Med Inst, Dept Chem, Phys Biosci Div, Berkeley, CA 94720 USA. [Forstner, Martin B.; Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Davis, MM (reprint author), Stanford Univ, Howard Hughes Med Inst, Dept Microbiol & Immunol, Sch Med, Stanford, CA 94305 USA. EM mmdavis@stanford.edu RI Forstner, Martin/A-8903-2008 OI Forstner, Martin/0000-0003-0413-8659 FU US National Institutes of Health [AI 55277]; US National Science Foundation; Howard Hughes Medical Institute; Human Frontier Science Program FX We thank B. Wilson for advice on TEM and plasma membrane sheet preparation; J. Perrino from the Cell Sciences Imaging Facility for expertise and service; and F. Tynan for comments on the manuscript. Supported by the US National Institutes of Health (AI 55277 to M. M. D.), the US National Science Foundation (J. T. G.), the Howard Hughes Medical Institute (M. M. D. and J. T. G.) and the Human Frontier Science Program (B. F. L.). NR 39 TC 275 Z9 278 U1 7 U2 35 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1529-2908 J9 NAT IMMUNOL JI Nat. Immunol. PD JAN PY 2010 VL 11 IS 1 BP 90 EP U106 DI 10.1038/ni.1832 PG 8 WC Immunology SC Immunology GA 533WE UT WOS:000272855300018 PM 20010844 ER PT J AU Siemens, ME Li, Q Yang, RG Nelson, KA Anderson, EH Murnane, MM Kapteyn, HC AF Siemens, Mark E. Li, Qing Yang, Ronggui Nelson, Keith A. Anderson, Erik H. Murnane, Margaret M. Kapteyn, Henry C. TI Quasi-ballistic thermal transport from nanoscale interfaces observed using ultrafast coherent soft X-ray beams SO NATURE MATERIALS LA English DT Article ID HEAT-CONDUCTION; THERMOELECTRIC PERFORMANCE; SILICON; DEFORMATION; GENERATION; EQUATIONS; SURFACE; FLOW AB Fourier theory of thermal transport considers heat transport as a diffusive process where energy flow is driven by a temperature gradient. However, this is not valid at length scales smaller than the mean free path for the energy carriers in a material, which can be hundreds of nanometres in crystalline materials at room temperature. In this case, heat flow will become 'ballistic'-driven by direct point-to-point transport of energy quanta(1). Past experiments have demonstrated size-dependent ballistic thermal transport through nanostructures such as thin films, superlattices, nanowires and carbon nanotubes(1-8). The Fourier law should also break down in the case of heat dissipation from a nanoscale heat source into the bulk. However, despite considerable theoretical discussion and direct application to thermal management in nanoelectronics(2), nano-enabled energy systems(9,10) and nanomedicine(11), this non-Fourier heat dissipation has not been experimentally observed so far. Here, we report the first observation and quantitative measurements of this transition from diffusive to ballistic thermal transport from a nanoscale hotspot, finding a significant (as much as three times) decrease in energy transport away from the nanoscale heat source compared with Fourier-law predictions. C1 [Siemens, Mark E.; Li, Qing; Murnane, Margaret M.; Kapteyn, Henry C.] Univ Colorado, JILA, Boulder, CO 80309 USA. [Yang, Ronggui] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Nelson, Keith A.] MIT, Dept Chem, Cambridge, MA 02139 USA. [Anderson, Erik H.] Lawrence Berkeley Labs, Berkeley, CA 94720 USA. [Anderson, Erik H.] Ctr Xray Opt, Berkeley, CA 94720 USA. RP Siemens, ME (reprint author), Univ Colorado, JILA, Boulder, CO 80309 USA. EM siemens@colorado.edu RI Yang, Ronggui/H-1278-2011; Kapteyn, Henry/H-6559-2011 OI Kapteyn, Henry/0000-0001-8386-6317 FU DOE Division of Chemical Sciences, Geosciences, and Biosciences; National Science Foundation Engineering Research Center for Extreme Ultraviolet Science and Technology; NSF/CAREER [0846561]; AFOSR/DCT [FA9550-08-1-0078] FX This work was financially supported by the DOE Division of Chemical Sciences, Geosciences, and Biosciences and the National Science Foundation Engineering Research Center for Extreme Ultraviolet Science and Technology. R.Y. acknowledges support for NSF/CAREER (#0846561) and AFOSR/DCT (#FA9550-08-1-0078) programmes. NR 29 TC 152 Z9 153 U1 10 U2 80 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 JAN PY 2010 VL 9 IS 1 BP 26 EP 30 DI 10.1038/NMAT2568 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 533VZ UT WOS:000272854800014 PM 19898462 ER PT J AU Cao, A Veser, G AF Cao, Anmin Veser, Goetz TI Exceptional high-temperature stability through distillation-like self-stabilization in bimetallic nanoparticles SO NATURE MATERIALS LA English DT Article ID PARTIAL OXIDATION; CO ADSORPTION; CATALYSIS; SCIENCE; METHANE; NANOCATALYSIS; H-2 AB Metal nanoparticles with precisely controlled size and composition are highly attractive for heterogeneous catalysis. However, their poor thermal stability remains a major hurdle on the way towards application at realistic technical conditions. Recent progress in this area has focused on nanostructured oxides to stabilize embedded metal nanoparticles. Here, we report an alternative approach that relies on synthesizing bimetallic nanoparticles with precise compositional control to obtain improved high-temperature stability. We find that PtRh nanoparticles with sufficiently high Rh content survive extended calcination at temperatures up to similar to 850 degrees C without significant sintering. For lower Rh content, sacrificial self-stabilization of individual nanoparticles through a distillation-like process is observed: the low-melting-point metal (Pt) bleeds out and the increasing concentration of the high-melting-point metal (Rh) leads to re-stabilization of the remaining nanoparticle. This principle of thermal self-stabilization should be broadly applicable to the development of multi-metallic nanomaterials for a broad range of high-temperature applications. C1 [Cao, Anmin; Veser, Goetz] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Cao, Anmin; Veser, Goetz] Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15261 USA. RP Veser, G (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM gveser@pitt.edu RI Veser, Goetz/I-5727-2013 FU National Energy Technology Laboratory's [DE-AC26-04NT41817]; Department of Energy-Basic Energy Science [DE-FG02-05ER46233]; National Science Foundation [CTS-0553365]; University of Pittsburgh's Swanson School of Engineering FX This work was supported by the National Energy Technology Laboratory's on-going research under the RDS contract DE-AC26-04NT41817, by the Department of Energy-Basic Energy Science through grant DE-FG02-05ER46233 and by the National Science Foundation through grant CTS-0553365. G. V. gratefully acknowledges a CNG faculty fellowship of the University of Pittsburgh's Swanson School of Engineering. We thank Z. Liu for technical help with TEM characterizations and the Nanoscale Fabrication and Characterization Facility (NFCF) of the University of Pittsburgh for use of the electron microscopy facility. NR 31 TC 81 Z9 82 U1 7 U2 130 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 JAN PY 2010 VL 9 IS 1 BP 75 EP 81 DI 10.1038/NMAT2584 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 533VZ UT WOS:000272854800022 PM 19946282 ER PT J AU Tang, TT Zhang, YB Park, CH Geng, BS Girit, C Hao, Z Martin, MC Zettl, A Crommie, MF Louie, SG Shen, YR Wang, F AF Tang, Tsung-Ta Zhang, Yuanbo Park, Cheol-Hwan Geng, Baisong Girit, Caglar Hao, Zhao Martin, Michael C. Zettl, Alex Crommie, Michael F. Louie, Steven G. Shen, Y. Ron Wang, Feng TI A tunable phonon-exciton Fano system in bilayer graphene SO NATURE NANOTECHNOLOGY LA English DT Article ID RAMAN; PHASE AB Fano resonances are features in absorption, scattering or transport spectra resulting from the interaction of discrete and continuum states. They have been observed in a variety of systems(1-6). Here, we report a many-body Fano resonance in bilayer graphene that is continuously tunable by means of electrical gating. Discrete phonons and continuous exciton (electron-hole pair) transitions are coupled by electron-phonon interactions, yielding a new hybrid phonon-exciton excited state. It may also be possible to control the phonon-exciton coupling with an optical field. This tunable phonon-exciton system could allow novel applications such as phonon lasers. C1 [Tang, Tsung-Ta; Zhang, Yuanbo; Park, Cheol-Hwan; Geng, Baisong; Girit, Caglar; Zettl, Alex; Crommie, Michael F.; Louie, Steven G.; Shen, Y. Ron; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Geng, Baisong] Lanzhou Univ, Sch Phys Sci & Technol, Lanzhou 730000, Peoples R China. [Hao, Zhao; Martin, Michael C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. [Zettl, Alex; Crommie, Michael F.; Louie, Steven G.; Shen, Y. Ron; Wang, Feng] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Hao, Zhao] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Tang, TT (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM fengwang76@berkeley.edu RI Park, Cheol-Hwan/A-1543-2009; Girit, Caglar/D-4845-2014; Hao, Zhao/G-2391-2015; Zettl, Alex/O-4925-2016; wang, Feng/I-5727-2015 OI Park, Cheol-Hwan/0000-0003-1584-6896; Girit, Caglar/0000-0001-8953-9261; Hao, Zhao/0000-0003-0677-8529; Zettl, Alex/0000-0001-6330-136X; FU University of California at Berkeley; Office of Basic Energy Sciences; US Department of Energy [DE-AC03-76SF0098, DE-AC02-05CH11231]; Miller Fellowship and a Sloan Fellowship; National Science Council, Taiwan FX This work was supported by the University of California at Berkeley and the Office of Basic Energy Sciences, US Department of Energy under contract no. DE-AC03-76SF0098 (Materials Science Division) and contract no. DE-AC02-05CH11231 (Advanced Light Source). Y. Z. and F. W. acknowledge support from a Miller Fellowship and a Sloan Fellowship, respectively. T. T. T. is partially supported by the National Science Council, Taiwan. NR 35 TC 64 Z9 64 U1 14 U2 83 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD JAN PY 2010 VL 5 IS 1 BP 32 EP 36 DI 10.1038/NNANO.2009.334 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 557EK UT WOS:000274652200012 PM 19915569 ER PT J AU Iwuchukwu, IJ Vaughn, M Myers, N O'Neill, H Frymier, P Bruce, BD AF Iwuchukwu, Ifeyinwa J. Vaughn, Michael Myers, Natalie O'Neill, Hugh Frymier, Paul Bruce, Barry D. TI Self-organized photosynthetic nanoparticle for cell-free hydrogen production SO NATURE NANOTECHNOLOGY LA English DT Article ID CYANOBACTERIAL PHOTOSYSTEM-I; REACTION CENTERS; PHOTOCATALYTIC PRODUCTION; CATALYSTS; RESOLUTION; EVOLUTION; OIL; H-2 AB There is considerable interest in making use of solar energy through photosynthesis to create alternative forms of fuel. Here, we show that photosystem I from a thermophilic bacterium and cytochrome-c(6) can, in combination with a platinum catalyst, generate a stable supply of hydrogen in vitro upon illumination. The self-organized platinization of the photosystem I nanoparticles allows electron transport from sodium ascorbate to photosystem I via cytochrome-c(6) and finally to the platinum catalyst, where hydrogen gas is formed. Our system produces hydrogen at temperatures up to 55 degrees C and is temporally stable for >85 days with no decrease in hydrogen yield when tested intermittently. The maximum yield is similar to 5.5 mu mol H(2) h(-1) mg(-1) chlorophyll and is estimated to be similar to 25-fold greater than current biomass-to-fuel strategies. Future work will further improve this yield by increasing the kinetics of electron transfer, extending the spectral response and replacing the platinum catalyst with a renewable hydrogenase. C1 [Iwuchukwu, Ifeyinwa J.; Frymier, Paul; Bruce, Barry D.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Vaughn, Michael; O'Neill, Hugh; Bruce, Barry D.] Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. [Myers, Natalie; Bruce, Barry D.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [O'Neill, Hugh] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Frymier, Paul; Bruce, Barry D.] Univ Tennessee, SEERC, Knoxville, TN 37996 USA. RP Iwuchukwu, IJ (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. EM bbruce@utk.edu OI O'Neill, Hugh/0000-0003-2966-5527 FU National Science Foundation (NSF) Nanoscience Interdisciplinary Research Team (NIRT) [DBI-0403781]; NSF Sustainable Science [CBET 0828615]; B. D. B. A SARIF Award and Science Alliance Award FX This work was supported by a National Science Foundation (NSF) Nanoscience Interdisciplinary Research Team (NIRT) award to B. D. B. (DBI-0403781) and an NSF Sustainable Science Grant (CBET 0828615) award to P. D. F. and B. D. B. A SARIF Award and Science Alliance Award provided additional support to P. D. F. and B. D. B. The authors would like to acknowledge the technical help of J. Dunlap, A. Godman, C. Pacquet, P. Mahbubani and S. Wright, and also thank G. Alexandre, B. Evans, E. Greenbaum, D. Harrell, L. Johnson and B. Mullin for their input. NR 29 TC 68 Z9 68 U1 8 U2 80 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD JAN PY 2010 VL 5 IS 1 BP 73 EP 79 DI 10.1038/NNANO.2009.315 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 557EK UT WOS:000274652200019 PM 19898496 ER PT J AU Eggert, JH Hicks, DG Celliers, PM Bradley, DK McWilliams, RS Jeanloz, R Miller, JE Boehly, TR Collins, GW AF Eggert, J. H. Hicks, D. G. Celliers, P. M. Bradley, D. K. McWilliams, R. S. Jeanloz, R. Miller, J. E. Boehly, T. R. Collins, G. W. TI Melting temperature of diamond at ultrahigh pressure SO NATURE PHYSICS LA English DT Article ID SHOCK-COMPRESSION; PHASE-TRANSITION; CARBON; GRAPHITE; URANUS; DISSOCIATION; INTERIORS; NEPTUNE; DIAGRAM AB Since Ross proposed that there might be 'diamonds in the sky' in 1981 (ref. 1), the idea of significant quantities of pure carbon existing in giant planets such as Uranus and Neptune has gained both experimental(2) and theoretical(3) support. It is now accepted that the high-pressure, high-temperature behaviour of carbon is essential to predicting the evolution and structure of such planets(4). Still, one of the most defining of thermal properties for diamond, the melting temperature, has never been directly measured. This is perhaps understandable, given that diamond is thermodynamically unstable, converting to graphite before melting at ambient pressure, and tightly bonded, being the strongest bulk material known(5,6). Shock-compression experiments on diamond reported here reveal the melting temperature of carbon at pressures of 0.6-1.1 TPa (6-11 Mbar), and show that crystalline diamond can be stable deep inside giant planets such as Uranus and Neptune(1-4,7). The data indicate that diamond melts to a denser, metallic fluid-with the melting curve showing a negative Clapeyron slope-between 0.60 and 1.05 TPa, in good agreement with predictions of first-principles calculations(8). Temperature data at still higher pressures suggest diamond melts to a complex fluid state, which dissociates at shock pressures between 1.1 and 2.5 TPa (11-25 Mbar) as the temperatures increase above 50,000 K. C1 [Eggert, J. H.; Hicks, D. G.; Celliers, P. M.; Bradley, D. K.; McWilliams, R. S.; Collins, G. W.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [McWilliams, R. S.; Jeanloz, R.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Miller, J. E.; Boehly, T. R.] Univ Rochester, Rochester, NY 14623 USA. RP Eggert, JH (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM eggert1@llnl.gov RI Collins, Gilbert/G-1009-2011; Hicks, Damien/B-5042-2015; McWilliams, R./J-4358-2016 OI Hicks, Damien/0000-0001-8322-9983; FU W. Unites; US Department of Energy [DE-AC52-07NA27344] FX We thank W. Unites for sample support. This work was carried out under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 30 TC 60 Z9 61 U1 7 U2 52 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 JAN PY 2010 VL 6 IS 1 BP 40 EP 43 DI 10.1038/NPHYS1438 PG 4 WC Physics, Multidisciplinary SC Physics GA 537BS UT WOS:000273088500016 ER PT J AU Lake, B Tsvelik, AM Notbohm, S Tennant, DA Perring, TG Reehuis, M Sekar, C Krabbes, G Buchner, B AF Lake, Bella Tsvelik, Alexei M. Notbohm, Susanne Tennant, D. Alan Perring, Toby G. Reehuis, Manfred Sekar, Chinnathambi Krabbes, Gernot Buechner, Bernd TI Confinement of fractional quantum number particles in a condensed-matter system SO NATURE PHYSICS LA English DT Article ID ISOTROPIC HEISENBERG CHAIN; LADDER COMPOUND CACU2O3; ARBITRARY SPINS; 2 DIMENSIONS; EXCITATIONS; FIELD; MODEL AB The concept of confinement states that in certain systems the constituent particles are bound together by an interaction for which the strength increases with increasing particle separation. One of the consequences of this is that these individual particles cannot be observed directly. The most famous example of confinement is found in particle physics where baryons and mesons are produced by the confinement of quarks. However, similar phenomena can occur in condensed-matter physics systems such as spin ladders that consist of two spin-1/2 antiferromagnetic chains coupled together by spin exchange interactions. Excitations of individual chains (spinons) carrying spin S = 1/2, are confined by even an infinitesimal interchain coupling. Most ladders studied so far cannot illustrate this process because the large strength of their interchain coupling suppresses the spinon excitations at all energy scales. Here we present neutron scattering experiments for a weakly coupled ladder material. At high energies the behaviour of this system approaches that of individual chains, but at low energies it is dominated by the integral spin excitations of strongly coupled chains. C1 [Lake, Bella; Notbohm, Susanne; Tennant, D. Alan; Reehuis, Manfred] Helmholtz Zentrum Berlin Mat & Energie, D-14109 Berlin, Germany. [Lake, Bella; Tennant, D. Alan] Tech Univ Berlin, Inst Festkorperphys, D-10623 Berlin, Germany. [Tsvelik, Alexei M.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Notbohm, Susanne] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland. [Perring, Toby G.] STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 OQX, Oxon, England. [Perring, Toby G.] UCL, Dept Phys, London WC1E 6BT, England. [Sekar, Chinnathambi; Krabbes, Gernot; Buechner, Bernd] IFW Dresden, Leibniz Inst Solid State & Mat Res, D-01171 Dresden, Germany. [Sekar, Chinnathambi] Periyar Univ, Dept Phys, Salem 636011, Tamil Nadu, India. RP Lake, B (reprint author), Helmholtz Zentrum Berlin Mat & Energie, Glienicker Str 100, D-14109 Berlin, Germany. EM bella.lake@helmholtz-berlin.de; tsvelik@cmt9.phy.bnl.gov RI Reehuis, Manfred/J-3383-2013; Tennant, David/Q-2497-2015; Buchner, Bernd/E-2437-2016; OI Reehuis, Manfred/0000-0002-6461-4074; Tennant, David/0000-0002-9575-3368; Buchner, Bernd/0000-0002-3886-2680; Lake, Bella/0000-0003-0034-0964 FU US DOE [DE-AC02-98 CH 10886]; INFN FX We are grateful to A. A. Nersesyan, F. H. L. Essler, J.-S. Caux, R. Coldea and T. M. Rice for interesting discussions. E. M. Wheeler helped with the initial data analysis. The work was supported by the US DOE under contract number DE-AC02-98 CH 10886 (A. M. T.). A. M. T. also thanks the Galileo Galilei Institute for Theoretical Physics for kind hospitality and INFN for partial support during the completion of this work. NR 27 TC 35 Z9 35 U1 1 U2 26 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 JAN PY 2010 VL 6 IS 1 BP 50 EP 55 DI 10.1038/NPHYS1462 PG 6 WC Physics, Multidisciplinary SC Physics GA 537BS UT WOS:000273088500018 ER PT J AU Glover, TE Hertlein, MP Southworth, SH Allison, TK van Tilborg, J Kanter, EP Krassig, B Varma, HR Rude, B Santra, R Belkacem, A Young, L AF Glover, T. E. Hertlein, M. P. Southworth, S. H. Allison, T. K. van Tilborg, J. Kanter, E. P. Kraessig, B. Varma, H. R. Rude, B. Santra, R. Belkacem, A. Young, L. TI Controlling X-rays with light SO NATURE PHYSICS LA English DT Article ID ELECTROMAGNETICALLY INDUCED TRANSPARENCY; ABSORPTION; INTERFERENCE; OPTICS; STATES; MEDIA; ATOMS AB Ultrafast X-ray science is an exciting frontier that promises the visualization of electronic, atomic and molecular dynamics on atomic time and length scales. A largely unexplored area of ultrafast X-ray science is the use of light to control how X-rays interact with matter. To extend control concepts established for long-wavelength probes to the X-ray regime, the optical control field must drive a coherent electronic response on a timescale comparable to femtosecond core-hole lifetimes. An intense field is required to achieve this rapid response. Here, an intense optical control pulse is observed to efficiently modulate photoelectric absorption for X-rays and to create an ultrafast transparency window. We demonstrate an application of X-ray transparency relevant to ultrafast X-ray sources: an all-photonic temporal cross-correlation measurement of a femtosecond X-ray pulse. The ability to control X-ray-matter interactions with light will create new opportunities for present and next-generation X-ray light sources. C1 [Southworth, S. H.; Kanter, E. P.; Kraessig, B.; Varma, H. R.; Santra, R.; Young, L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Glover, T. E.; Hertlein, M. P.; Allison, T. K.; van Tilborg, J.; Rude, B.; Belkacem, A.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Allison, T. K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Santra, R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Young, L (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM young@anl.gov RI Santra, Robin/E-8332-2014 OI Santra, Robin/0000-0002-1442-9815 FU US Department of Energy [DE-AC02-06CH11357, DE-AC02-05CH11231] FX We thank C. Buthand S. E. Harris for enlightening discussions and D. L. Ederer, T. Weber, R. W. Schoenlein and P. Heimann for experimental support during early stages of this project. This work was supported by the Chemical Sciences, Geosciences,and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, US Department of Energy, under Contract No. DE-AC02-06CH11357 and DE-AC02-05CH11231.; This work was carried out at the Advanced Light Source, Lawrence Berkeley National Laboratory, and 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 32 TC 42 Z9 42 U1 0 U2 12 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 JAN PY 2010 VL 6 IS 1 BP 69 EP U5 DI 10.1038/NPHYS1430 PG 6 WC Physics, Multidisciplinary SC Physics GA 537BS UT WOS:000273088500021 ER PT J AU Tombola, F Ulbrich, MH Kohout, SC Isacoff, EY AF Tombola, Francesco Ulbrich, Maximilian H. Kohout, Susy C. Isacoff, Ehud Y. TI The opening of the two pores of the Hv1 voltage-gated proton channel is tuned by cooperativity SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Article ID SHAKER K+ CHANNEL; POTASSIUM CHANNEL; NADPH OXIDASE; GATING CHARGE; WILD-TYPE; SENSOR; S4; ACTIVATION; PH; REARRANGEMENTS AB In voltage-gated sodium, potassium and calcium channels, the functions of ion conduction and voltage sensing are performed by two distinct structural units: the pore domain and the voltage-sensing domain (VSD). In the hydrogen voltage-gated channel 1 (Hv1), the VSD, unusually, performs both functions. Hv1 was recently found to dimerize and to form channels made of two pores. However, the channels were also found to function when dimerization was prevented, raising a question about the functional role of dimerization. Here we show that the two subunits of the human Hv1 dimer influence one another during gating, with positive cooperativity shaping the response to voltage of the two pores. We also find that the two voltage sensors undergo conformational changes that precede pore opening and that these conformational changes are allosterically coupled between the two subunits. Our results point to an important role for dimerization in the modulation of Hv1 activity. C1 [Tombola, Francesco; Ulbrich, Maximilian H.; Kohout, Susy C.; Isacoff, Ehud Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Tombola, Francesco] Univ Calif Irvine, Dept Physiol & Biophys, Irvine, CA 92717 USA. [Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Isacoff, EY (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM ehud@berkeley.edu RI Tombola, Francesco/C-7311-2011 FU National Institutes of Health [R01NS035549]; American Heart Association [09BGIA2160044] FX We are grateful to S. Wiese and W. McFadden for valuable technical assistance. We thank D. E. Clapham (Children's Hospital Boston) for the cDNA of the human Hv1 channel and Y. Okamura (Okazaki Center for Integrative Biosciences) for the cDNA of Ci-VSP. We thank J. E. Hall and S. H. White for helpful discussion. This work was supported by the US National Institutes of Health (grant R01NS035549 to E. Y. I.), by the American Heart Association WSA (grant 09BGIA2160044 to F. T.) and by a postdoctoral fellowship from the American Heart Association to M. H. U. NR 37 TC 58 Z9 59 U1 2 U2 9 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1545-9985 J9 NAT STRUCT MOL BIOL JI Nat. Struct. Mol. Biol. PD JAN PY 2010 VL 17 IS 1 BP 44 EP U61 DI 10.1038/nsmb.1738 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 541CL UT WOS:000273390300009 PM 20023640 ER PT S AU Liu, WT Kettimuthu, R Tieman, B Madduri, R Li, B Foster, I AF Liu, Wantao Kettimuthu, Rajkumar Tieman, Brian Madduri, Ravi Li, Bo Foster, Ian BE Doulamis, A Mambretti, J Tomkos, I Varvarigou, T TI GridFTP GUI: An Easy and Efficient Way to Transfer Data in Grid SO NETWORKS FOR GRID APPLICATIONS SE Lecture Notes of the Institute for Computer Sciences Social Informatics and Telecommunications Engineering LA English DT Proceedings Paper CT 3rd International ICST Conference on Networks for Grid Applications CY OCT 08-09, 2009 CL Athens, GREECE SP ICST DE GridFTP; data transfer AB GridFTP is the de facto standard for providing secure, robust, high-speed bulk data transport. It is based on the Internet FTP protocol, and it defines extensions for high performance operation and security. However, GridFTP lacks an easy-to-use graphical user interface client that is fault tolerant and hides all the complexities from the end users. It is not straightforward to conduct data transfer, monitor transfer status, and recover from transfer errors. Many e-science applications must transfer large datasets that are, in many cases, are partitioned into lots of small files. However, existing GridFTP client tools cannot do such a transfer efficiently and reliably. To address these issues, we developed GridFTP GUI, a Java web start-based GridFTP client tool. It does not require explicit installation and can automatically update to the latest version. It provides an easy and efficient way for users to get credentials, transfer data through drag and drop, optimize transfer parameters, view transfer progress, move a lot of small files in an efficient way, recover from transfer errors, manage files and directories remotely, and establish cross-domain trust relationships. Our experiments show that GridFTP GUI is able to transfer files and directories with very good performance. C1 [Liu, Wantao; Li, Bo] Beihang Univ, Sch Comp Sci & Engn, Beijing, Peoples R China. [Liu, Wantao; Foster, Ian] Univ Chicago, Dept Comp Sci, Chicago, IL USA. [Kettimuthu, Rajkumar; Madduri, Ravi; Foster, Ian] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL USA. [Kettimuthu, Rajkumar; Madduri, Ravi; Foster, Ian] Univ Chicago, Computat Inst, Chicago, IL USA. [Tieman, Brian] Argonne Natl Lab, Adv Photon Source, Argonne, IL USA. RP Liu, WT (reprint author), Beihang Univ, Sch Comp Sci & Engn, Beijing, Peoples R China. EM liuwt@uchicago.edu; kettimut@mcs.anl.gov; tieman@aps.anl.gov; madduri@mcs.anl.gov; libo@act.buaa.edu.cn; foster@mcs.anl.gov FU Office of Advanced Scientific Computing Research, Office of Science; US Department of Energy [DE-AC02-06CH11357] FX This work was supported in part by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 10 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1867-8211 BN 978-3-642-11732-9 J9 L N INST COMP SCI SO PY 2010 VL 25 BP 57 EP + PG 2 WC Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BZP63 UT WOS:000302331000007 ER EF