FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Harvego, EA McKellar, MG Sohal, MS O'Brien, JE Herring, JS AF Harvego, E. A. McKellar, M. G. Sohal, M. S. O'Brien, J. E. Herring, J. S. TI System Evaluation and Economic Analysis of a Nuclear Reactor Powered High-Temperature Electrolysis Hydrogen-Production Plant SO JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div DE Brayton cycle; costing; economics; electrolysis; gas cooled reactors; helium; hydrogen production; thermal power stations ID PERFORMANCE; ENERGY AB A reference design for a commercial-scale high-temperature electrolysis (HTE) plant for hydrogen production was developed to provide a basis for comparing the HTE concept with other hydrogen-production concepts. The reference plant design is driven by a high-temperature helium-cooled nuclear reactor coupled to a direct Brayton power cycle. The reference design reactor power is 600 MW(t), with a primary system pressure of 7.0 MPa, and reactor inlet and outlet fluid temperatures of 540 degrees C and 900 degrees C, respectively. The electrolysis unit used to produce hydrogen includes 4,009,177 cells with a per-cell active area of 225 cm(2). The optimized design for the reference hydrogen-production plant operates at a system pressure of 5.0 MPa, and utilizes an air-sweep system to remove the excess oxygen that has evolved on the anode (oxygen) side of the electrolyzer. The inlet air for the air-sweep system is compressed to the system operating pressure of 5.0 MPa in a four-stage compressor with intercooling. The alternating current to direct current conversion efficiency is 96%. The overall system thermal-to-hydrogen-production efficiency (based on the lower heating value of the produced hydrogen) is 47.1% at a hydrogen-production rate of 2.356 kg/s. This hydrogen-production efficiency is considerably higher than can be achieved using current low-temperature electrolysis techniques. An economic analysis of this plant was performed using the standardized hydrogen analysis methodology developed by the Department of Energy Hydrogen Program, and using realistic financial and cost estimating assumptions. The results of the economic analysis demonstrated that the HTE hydrogen-production plant driven by a high-temperature helium-cooled nuclear power plant can deliver hydrogen at a competitive cost. A cost of $3.23/kg of hydrogen was calculated assuming an internal rate of return of 10%. [DOI: 10.1115/1.4001566] C1 [Harvego, E. A.; McKellar, M. G.; Sohal, M. S.; O'Brien, J. E.; Herring, J. S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Harvego, EA (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. NR 18 TC 2 Z9 3 U1 0 U2 6 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0195-0738 J9 J ENERG RESOUR-ASME JI J. Energy Resour. Technol.-Trans. ASME PD JUN PY 2010 VL 132 IS 2 AR 021005 DI 10.1115/1.4001566 PG 9 WC Energy & Fuels SC Energy & Fuels GA 609YC UT WOS:000278693700006 ER PT J AU Zhu, YH Somasundaram, S Kemp, JW AF Zhu, Yunhua Somasundaram, Sriram Kemp, James W. TI Energy and Exergy Analysis of Gasifier-Based Coal-to-Fuel Systems SO JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div DE coal gasification; crude oil; exergy; natural gas technology; power system security; thermodynamics ID BIOMASS GASIFICATION; POWER AB National energy security concerns related to liquid transportation fuels have revived interests in alternative liquid fuel sources. Coal-to-fuel technologies feature high efficiency energy conversion and environmental advantages. While a number of factors are driving coal-to-fuel projects forward, there are several barriers to wide commercialization of these technologies such as financial, construction, operation, and technical risks. The purpose of this study is to investigate the performance features of coal-to-fuel systems based on different gasification technologies. The target products are the Fischer-Tropsch synthetic crude and synthetic natural gas. Two types of entrained-flow gasifier-based coal-to-fuel systems are simulated and their performance features are discussed. One is a single-stage water quench cooling entrained-flow gasifier, and another one is a two-stage syngas cooling entrained-flow gasifier. The conservation of energy (first law of thermodynamics) and the quality of energy (second law of thermodynamics) for the systems are both investigated. The results of exergy analysis provide insights about the potential targets for technology improvement. The features of different gasifier-based coal-to-fuel systems are discussed. The results provide information about the research and development priorities in future. [DOI: 10.1115/1.4001572] C1 [Zhu, Yunhua; Somasundaram, Sriram; Kemp, James W.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Zhu, YH (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM yunhua.zhu@pnl.gov NR 31 TC 3 Z9 3 U1 0 U2 10 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0195-0738 J9 J ENERG RESOUR-ASME JI J. Energy Resour. Technol.-Trans. ASME PD JUN PY 2010 VL 132 IS 2 AR 021008 DI 10.1115/1.4001572 PG 8 WC Energy & Fuels SC Energy & Fuels GA 609YC UT WOS:000278693700009 ER PT J AU Liese, E AF Liese, Eric TI Comparison of Preanode and Postanode Carbon Dioxide Separation for IGFC Systems SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article DE air pollution control; anodes; carbon compounds; cathodes; fuel cell power plants; gas turbines; solid oxide fuel cells ID HYBRID SYSTEM; FUEL-CELL; PERFORMANCE; SOFC AB This paper examines the arrangement of a solid oxide fuel cell (SOFC) within a coal gasification cycle, this combination generally being called an integrated gasification fuel cell cycle. This work relies on a previous study performed by the National Energy Technology Laboratory (NETL) that details thermodynamic simulations of integrated gasification combined cycle (IGCC) systems and considers various gasifier types and includes cases for 90% CO(2) capture (2007, "Cost and Performance Baseline for Fossil Energy Plants, Vol. 1: Bituminous Coal and Natural Gas to Electricity," National Energy Technology Laboratory Report No. DOE/NETL-2007/1281). All systems in this study assume a Conoco Philips gasifier and cold-gas clean up conditions for the coal gasification system (Cases 3 and 4 in the NETL IGCC report). Four system arrangements, cases, are examined. Cases 1 and 2 remove the CO(2) after the SOFC anode. Case 3 assumes steam addition, a water-gas-shift (WGS) catalyst, and a Selexol process to remove the CO(2) in the gas cleanup section, sending a hydrogen-rich gas to the fuel cell anode. Case 4 assumes Selexol in the cold-gas cleanup section as in Case 3; however, there is no steam addition, and the WGS takes places in the SOFC and after the anode. Results demonstrate significant efficiency advantages compared with IGCC with CO(2) capture. The hydrogen-rich case (Case 3) has better net electric efficiency compared with typical postanode CO(2) capture cases (Cases 1 and 2), with a simpler arrangement but at a lower SOFC power density, or a lower efficiency at the same power density. Case 4 gives an efficiency similar to Case 3 but also at a lower SOFC power density. Carbon deposition concerns are also discussed. C1 Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Liese, E (reprint author), Natl Energy Technol Lab, POB 880, Morgantown, WV 26507 USA. EM eric.liese@netl.doe.gov NR 20 TC 5 Z9 5 U1 1 U2 6 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 JUN PY 2010 VL 132 IS 6 AR 061703 DI 10.1115/1.4000140 PG 8 WC Engineering, Mechanical SC Engineering GA 576WS UT WOS:000276181300011 ER PT J AU Pellerin, L Beard, LP Mandell, W AF Pellerin, Louise Beard, Les P. Mandell, Wayne TI Mapping Structures that Control Contaminant Migration using Helicopter Transient Electromagnetic Data SO JOURNAL OF ENVIRONMENTAL AND ENGINEERING GEOPHYSICS LA English DT Article AB Tooele Army Depot, Tooele County, Utah has developed a hydrogeological model to predict spatio-temporal changes in trichloroethylene contamination originating from sources on the base. Established in 1942 to store World War II supplies, ammunition, and combat vehicles, the Depot is situated in the Basin and Range Providence about 50 km west of Salt Lake City, Utah. In order to better define this hydrogeological framework, a helicopter-borne, time-domain electromagnetic system, known as SkyTEM, was used to survey a 64-km(2) area of the Depot. Areas where carbonate basement is known from prior studies to be at or near the surface were clearly delineated in the SkyTEM data as a high resistivity zone, which begins near the ground surface and continues to the deepest samples at about 200 m. In some places the basement appears to be conductive rather than resistive. In areas where unconsolidated sedimentary cover is known to be thick, such as in the northwest part of the survey area, resistivities were low throughout the sample intervals. The SkyTEM data supports the existence of some, but not all, of the hydrological boundaries hypothesized from potentiometric information. Shallow high-resistivity layers in the east and southeast portions of the survey area appear to be underlain by more conductive sediments, and so should not necessarily be interpreted as shallow bedrock, but possibly as resistive sediments such as dry sand and gravel. One of the most significant results of the survey is the delineation of a narrow unit, interpreted as a paleochannel, at depths greater than 100 m that may be responsible for migration of contamination to the northwest. C1 [Pellerin, Louise] Green Engn Inc, Berkeley, CA 94702 USA. [Beard, Les P.] Battelle Oak Ridge Operat, Oak Ridge, TN 37830 USA. [Mandell, Wayne] USA, Environm Command, Greenville, NC 27858 USA. RP Pellerin, L (reprint author), Green Engn Inc, 2215 Curtis St, Berkeley, CA 94702 USA. EM pellerin@ak.net NR 10 TC 1 Z9 2 U1 0 U2 1 PU ENVIRONMENTAL ENGINEERING GEOPHYSICAL SOC PI DENVER PA 1720 SOUTH BELLAIRE, STE 110, DENVER, CO 80222-433 USA SN 1083-1363 J9 J ENVIRON ENG GEOPH JI J. Environ. Eng. Geophys. PD JUN PY 2010 VL 15 IS 2 BP 65 EP 75 PG 11 WC Geochemistry & Geophysics; Engineering, Geological SC Geochemistry & Geophysics; Engineering GA 601VC UT WOS:000278092300002 ER PT J AU Tsai, A Banta, L Tucker, D Gemmen, R AF Tsai, Alex Banta, Larry Tucker, David Gemmen, Randall TI Relative Gain Array Analysis of a Solid Oxide Fuel Cell Gas Turbine Hybrid Plant SO JOURNAL OF FUEL CELL SCIENCE AND TECHNOLOGY LA English DT Article DE fuel cell power plants; gas turbine power stations; hybrid power systems; solid oxide fuel cells; transfer function matrices AB This paper presents a relative gain array (RGA) analysis of a simulated solid oxide fuel cell/gas turbine plant, based on a multivariate empirical formulation of a 300 kW hybrid system. The HyPer test facility at the National Energy Technology Laboratory, served as the test bed for deriving frequency response data and subsequent multivariable model of a direct-fired, recuperated hybrid cycle plant. Through the modulation of various airflow bypass valves, magnitude and phase data are used to formulate transfer function (TF) equations that describe input/output system interaction. A frequency dependent RGA calculation of the empirical TF matrix provides a means of quantifying the degree of coupling between system inputs and outputs for the configuration studied. Various input/output interaction time scales are obtained to identify frequencies where fully developed system coupling occur. Analysis of the RGA matrix leads to a better understanding of the inherent properties and the hybrid configuration, and can serve as a validating tool to existing analytical RGA calculations of similar types of hybrids. C1 [Tsai, Alex; Banta, Larry; Tucker, David; Gemmen, Randall] W Virginia Univ, Natl Energy Technol Lab, Morgantown, WV 26505 USA. [Tsai, Alex; Banta, Larry] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26505 USA. RP Tsai, A (reprint author), W Virginia Univ, Natl Energy Technol Lab, Morgantown, WV 26505 USA. NR 12 TC 1 Z9 1 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1550-624X J9 J FUEL CELL SCI TECH JI J. Fuel Cell Sci. Technol. PD JUN PY 2010 VL 7 IS 3 AR 031004 DI 10.1115/1.3206973 PG 6 GA 571KW UT WOS:000275751700004 ER PT J AU Mazarico, E Neumann, GA Rowlands, DD Smith, DE AF Mazarico, Erwan Neumann, G. A. Rowlands, D. D. Smith, D. E. TI Geodetic constraints from multi-beam laser altimeter crossovers SO JOURNAL OF GEODESY LA English DT Article DE Laser altimeter; Crossover; Orbit determination; Moon; Multi-beam ID MARS GLOBAL SURVEYOR; NEAR-SHOEMAKER; GRAVITY-FIELD; MOON AB The round-trip travel time measurements made by spacecraft laser altimeters are primarily used to construct topographic maps of the target body. The accuracy of the calculated bounce point locations of the laser pulses depends on the quality of the spacecraft trajectory reconstruction. The trajectory constraints from Doppler and range radio tracking data can be supplemented by altimetric "crossovers", to greatly improve the reconstruction of the spacecraft trajectory. Crossovers have been used successfully in the past (e.g., Mars Orbiter Laser Altimeter on Mars Global Surveyor), but only with single-beam altimeters. The same algorithms can be used with a multi-beam laser altimeter, but we present a method using the unique cross-track topographic information present in the multi-beam data. Those crossovers are especially adapted to shallow (small angle) intersections, as the overlapping area is large, reducing the inherent ambiguities of single-beam data in that situation. We call those "swath crossovers". They prove particularly useful in the case of polar-orbiting spacecraft over slowly rotating bodies, because all the non-polar crossovers have small intersection angles. To demonstrate this method, we perform a simplified simulation based on the Lunar Reconnaissance Orbiter (LRO) and its five-beam Lunar Orbiter Laser Altimeter. We show that swath crossovers over one lunar month can independently, from geometry alone, recover the imposed orbital perturbations with great accuracy (5 m horizontal, < 1 m vertical, about one order of magnitude smaller than the imposed perturbations). We also present new types of constraints that can be derived from the swath crossovers, and designed to be used in a precision orbit determination setup. In future work, we will use such multi-beam altimetric constraints with data from LRO. C1 [Mazarico, Erwan; Neumann, G. A.; Rowlands, D. D.; Smith, D. E.] NASA, Goddard Space Flight Ctr, Planetary Geodynam Lab, Greenbelt, MD 20771 USA. [Mazarico, Erwan] Oak Ridge Associated Univ, NASA Postdoctral Program, NASA GSFC, Oak Ridge, TN 37831 USA. [Smith, D. E.] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA. RP Mazarico, E (reprint author), NASA, Goddard Space Flight Ctr, Planetary Geodynam Lab, Greenbelt, MD 20771 USA. EM erwan.m.mazarico@nasa.gov RI Rowlands, David/D-2751-2012; Neumann, Gregory/I-5591-2013; Mazarico, Erwan/N-6034-2014 OI Neumann, Gregory/0000-0003-0644-9944; Mazarico, Erwan/0000-0003-3456-427X FU NASA; Lunar Reconnaissance Orbiter project FX EM was supported by an appointment to the NASA Postdoctoral Program at the Goddard Space Flight Center, administered by Oak Ridge Associated Universities through a contract with NASA. We thank the Lunar Reconnaissance Orbiter project for their support of this work. We thank three anonymous reviewers for comments which improved the manuscript. NR 19 TC 10 Z9 12 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-7714 J9 J GEODESY JI J. Geodesy PD JUN PY 2010 VL 84 IS 6 BP 343 EP 354 DI 10.1007/s00190-010-0379-1 PG 12 WC Geochemistry & Geophysics; Remote Sensing SC Geochemistry & Geophysics; Remote Sensing GA 594PU UT WOS:000277550500001 ER PT J AU Fanfani, A Afaq, A Sanches, JA Andreeva, J Bagliesi, G Bauerdick, L Belforte, S Sampaio, PB Bloom, K Blumenfeld, B Bonacorsi, D Brew, C Calloni, M Cesini, D Cinquilli, M Codispoti, G D'Hondt, J Dong, L Dongiovanni, D Donvito, G Dykstra, D Edelmann, E Egeland, R Elmer, P Eulisse, G Evans, D Fanzago, F Farina, F Feichtinger, D Fisk, I Flix, J Grandi, C Guo, YY Happonen, K Hernandez, JM Huang, CH Kang, KJ Karavakis, E Kasemann, M Kavka, C Khan, A Kim, B Klem, J Koivumaki, J Kress, T Kreuzer, P Kurca, T Kuznetsov, V Lacaprara, S Lassila-Perini, K Letts, J Linden, T Lueking, L Maes, J Magini, N Maier, G Mcbride, P Metson, S Miccio, V Padhi, S Pi, HF Riahi, H Riley, D Rossman, P Saiz, P Sartirana, A Sciaba, A Sekhri, V Spiga, D Tuura, L Vaandering, E Vanelderen, L Van Mulders, P Vedaee, A Villella, I Wicklund, E Wildish, T Wissing, C Wurthwein, F AF Fanfani, Alessandra Afaq, Anzar Sanches, Jose Afonso Andreeva, Julia Bagliesi, Giusepppe Bauerdick, Lothar Belforte, Stefano Sampaio, Patricia Bittencourt Bloom, Ken Blumenfeld, Barry Bonacorsi, Daniele Brew, Chris Calloni, Marco Cesini, Daniele Cinquilli, Mattia Codispoti, Giuseppe D'Hondt, Jorgen Dong, Liang Dongiovanni, Danilo Donvito, Giacinto Dykstra, David Edelmann, Erik Egeland, Ricky Elmer, Peter Eulisse, Giulio Evans, Dave Fanzago, Federica Farina, Fabio Feichtinger, Derek Fisk, Ian Flix, Josep Grandi, Claudio Guo, Yuyi Happonen, Kalle Hernandez, Jose M. Huang, Chih-Hao Kang, Kejing Karavakis, Edward Kasemann, Matthias Kavka, Carlos Khan, Akram Kim, Bockjoo Klem, Jukka Koivumaki, Jesper Kress, Thomas Kreuzer, Peter Kurca, Tibor Kuznetsov, Valentin Lacaprara, Stefano Lassila-Perini, Kati Letts, James Linden, Tomas Lueking, Lee Maes, Joris Magini, Nicolo Maier, Gerhild Mcbride, Patricia Metson, Simon Miccio, Vincenzo Padhi, Sanjay Pi, Haifeng Riahi, Hassen Riley, Daniel Rossman, Paul Saiz, Pablo Sartirana, Andrea Sciaba, Andrea Sekhri, Vijay Spiga, Daniele Tuura, Lassi Vaandering, Eric Vanelderen, Lukas Van Mulders, Petra Vedaee, Aresh Villella, Ilaria Wicklund, Eric Wildish, Tony Wissing, Christoph Wuerthwein, Frank TI Distributed Analysis in CMS SO JOURNAL OF GRID COMPUTING LA English DT Article DE LHC; CMS; Distributed analysis; Grid ID DESIGN AB The CMS experiment expects to manage several Pbytes of data each year during the LHC programme, distributing them over many computing sites around the world and enabling data access at those centers for analysis. CMS has identified the distributed sites as the primary location for physics analysis to support a wide community with thousands potential users. This represents an unprecedented experimental challenge in terms of the scale of distributed computing resources and number of user. An overview of the computing architecture, the software tools and the distributed infrastructure is reported. Summaries of the experience in establishing efficient and scalable operations to get prepared for CMS distributed analysis are presented, followed by the user experience in their current analysis activities. C1 [Fanfani, Alessandra; Bonacorsi, Daniele; Codispoti, Giuseppe; Grandi, Claudio] Ist Nazl Fis Nucl, I-40127 Bologna, Italy. [Fanfani, Alessandra; Bonacorsi, Daniele; Codispoti, Giuseppe; Grandi, Claudio] Univ Bologna, I-40127 Bologna, Italy. [Afaq, Anzar; Bauerdick, Lothar; Dykstra, David; Evans, Dave; Fisk, Ian; Guo, Yuyi; Huang, Chih-Hao; Lueking, Lee; Mcbride, Patricia; Rossman, Paul; Sekhri, Vijay; Vaandering, Eric; Wicklund, Eric] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Sanches, Jose Afonso; Sampaio, Patricia Bittencourt] Univ Rio De Janeiro UERJ, Rio De Janeiro, Brazil. [Andreeva, Julia; Calloni, Marco; Magini, Nicolo; Miccio, Vincenzo; Saiz, Pablo; Sciaba, Andrea; Spiga, Daniele] CERN, CH-1211 Geneva 23, Switzerland. [Bagliesi, Giusepppe] Pisa INFN, Pisa, Italy. [Belforte, Stefano; Kavka, Carlos] Trieste INFN, Trieste, Italy. [Bloom, Ken] Univ Nebraska, Lincoln, NE USA. [Blumenfeld, Barry] Johns Hopkins Univ, Baltimore, MD USA. [Brew, Chris] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Cesini, Daniele; Dongiovanni, Danilo; Magini, Nicolo; Miccio, Vincenzo] INFN CNAF, Bologna, Italy. [Cinquilli, Mattia; Riahi, Hassen; Vedaee, Aresh] Perugia INFN, Perugia, Italy. [D'Hondt, Jorgen; Maes, Joris; Van Mulders, Petra; Villella, Ilaria] Brussel Univ, Brussels, Belgium. [Dong, Liang] Chinese Acad Sci, Inst High Energy Phys, Acad Sinica, Beijing, Peoples R China. [Donvito, Giacinto] Ist Nazl Fis Nucl, I-70126 Bari, Italy. [Donvito, Giacinto] Univ Bari, Bari, Italy. [Edelmann, Erik; Happonen, Kalle; Klem, Jukka; Koivumaki, Jesper; Lassila-Perini, Kati; Linden, Tomas] Helsinki Inst Phys, Helsinki, Finland. [Egeland, Ricky] Univ Minnesota, St Paul, MN USA. [Elmer, Peter; Wildish, Tony] Princeton Univ, Princeton, NJ 08544 USA. [Eulisse, Giulio; Tuura, Lassi] Northeastern Univ, Boston, MA 02115 USA. [Fanzago, Federica] Padova INFN, Padua, Italy. [Farina, Fabio] Milano Bicocca INFN, Milan, Italy. [Feichtinger, Derek] Paul Scherrer Inst, Villigen, Switzerland. [Flix, Josep; Hernandez, Jose M.] CIEMAT, E-28040 Madrid, Spain. [Flix, Josep] PIC, Barcelona, Spain. [Kang, Kejing] Peking Univ, Beijing, Peoples R China. [Karavakis, Edward; Khan, Akram] Brunel Univ, London, England. [Kasemann, Matthias; Wissing, Christoph] DESY, D-2000 Hamburg, Germany. [Kim, Bockjoo] Univ Florida, Gainesville, FL USA. [Kress, Thomas; Kreuzer, Peter] Rhein Westfal TH Aachen, Aachen, Germany. [Kurca, Tibor] Inst Phys Nucl, Villeurbanne, France. [Kuznetsov, Valentin; Riley, Daniel] Cornell Univ, Ithaca, NY USA. [Lacaprara, Stefano] Legnaro INFN, Legnaro, Italy. [Letts, James; Padhi, Sanjay; Pi, Haifeng; Wuerthwein, Frank] Univ Calif San Diego, La Jolla, CA 92093 USA. [Maier, Gerhild] Univ Linz, A-4040 Linz, Austria. [Metson, Simon] Univ Bristol, Bristol, Avon, England. [Sartirana, Andrea] Ecole Polytech, F-75230 Paris, France. [Vanelderen, Lukas] Univ Ghent, B-9000 Ghent, Belgium. RP Fanfani, A (reprint author), Ist Nazl Fis Nucl, Viale Berti Pichat 6-2, I-40127 Bologna, Italy. EM fanfani@bo.infn.it RI Codispoti, Giuseppe/F-6574-2014; Grandi, Claudio/B-5654-2015; Flix, Josep/G-5414-2012; Hernandez Calama, Jose Maria/H-9127-2015; OI Codispoti, Giuseppe/0000-0003-0217-7021; Grandi, Claudio/0000-0001-5998-3070; Flix, Josep/0000-0003-2688-8047; Kasemann, Matthias/0000-0002-0429-2448; Hernandez Calama, Jose Maria/0000-0001-6436-7547; Donvito, Giacinto/0000-0002-0628-1080; Karavakis, Edward/0000-0002-5729-5167 FU CERN; CMS Institutes; European Commission [INFSO-RI-222667] FX We thank the technical and administrative staff of CERN and CMS Institutes, Tier-1 and Tier-2 centres and acknowledge their support. This work is co-funded by the European Commission through the EGEE-III project (www.eu-egee.org), contract number INFSO-RI-222667, and the results produced made use of the EGEE Grid infrastructure. NR 32 TC 7 Z9 7 U1 0 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-7873 EI 1572-9184 J9 J GRID COMPUT JI J. Comput. PD JUN PY 2010 VL 8 IS 2 SI SI BP 159 EP 179 DI 10.1007/s10723-010-9152-1 PG 21 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA 595IC UT WOS:000277602900002 ER PT J AU Bonnema, E Pless, S Doebber, I AF Bonnema, Eric Pless, Shanti Doebber, Ian TI Advanced Energy Design Guide for Small Hospitals and Healthcare Facilities SO JOURNAL OF HEALTHCARE ENGINEERING LA English DT Article DE 30% energy savings; high performance buildings; energy efficiency; Advanced Energy Design Guide; small healthcare facilities AB The Advanced Energy Design Guide for Small Hospitals and Healthcare Facilities (AEDG-SHC) was recently completed. It is the sixth document in a series of guides designed to achieve 30% savings over the minimum code requirements of ANSI/ASHRAE/IESNA Standard 90.1-1999. The guide [1] is available for print purchase or as a free download from http://www.ashrae.org/aedg and provides user-friendly assistance and recommendations for the building design, construction, and owner communities to achieve energy savings. Included in the guide are prescriptive recommendations for quality assurance and commissioning; design of the building envelope; fenestration; lighting systems (including electric lighting and daylighting); heating, ventilation, and air-conditioning (HVAC) systems; building automation and controls; outside air (OA) treatment; and service water heating (SWH). The guide educates, provides practical recommendations for exceeding code minimums, and provides leadership to help design teams and owners produce higher efficiency commercial buildings. C1 [Bonnema, Eric; Pless, Shanti; Doebber, Ian] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bonnema, E (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM eric.bonnema@nrel.gov FU U.S. Department of Energy; DOE through Drury Crawley; Pat LeDonne of the Building Technologies Program FX This article was prepared by the National Renewable Energy Laboratory, operated by the Alliance for Sustainable Energy LLC, under the funding of the U.S. Department of Energy."; The authors would like to thank all the members of the PC for their diligence, creativity, and willingness to support the creation of the guide. This project would not have been possible without financial contributions from DOE, through Drury Crawley and Pat LeDonne of the Building Technologies Program. Additional thanks to the ASHRAE staff, whose direction, guidance, organizational skills, and dedication enabled timely completion of the guide. NR 13 TC 3 Z9 3 U1 0 U2 8 PU MULTI-SCIENCE PUBL CO LTD PI BRENTWOOD PA 5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND SN 2040-2295 J9 J HEALTHC ENG JI J. Healthc. Eng. PD JUN PY 2010 VL 1 IS 2 BP 277 EP 295 DI 10.1260/2040-2295.1.2.277 PG 19 WC Health Care Sciences & Services SC Health Care Sciences & Services GA V26LQ UT WOS:000208547500008 ER PT J AU Abramowicz, H Abt, I Adamczyk, L Adamus, M Antonelli, S Antonioli, P Antonov, A Arneodo, M Aushev, V Aushev, Y Bachynska, O Bamberger, A Barakbaev, AN Barbagli, G Bari, G Barreiro, F Bartsch, D Basile, M Behnke, O Behr, J Behrens, U Bellagamba, L Bertolin, A Bhadra, S Bindi, M Blohm, C Bold, T Boos, EG Borodin, M Borras, K Boscherini, D Bot, D Boutle, SK Brock, I Brownson, E Brugnera, R Brummer, N Bruni, A Bruni, G Brzozowska, B Bussey, PJ Butterworth, JM Bylsma, B Caldwell, A Capua, M Carlin, R Catterall, CD Chekanov, S Chwastowski, J Ciborowski, J Ciesielski, R Cifarelli, L Cindolo, F Contin, A Cooper-Sarkar, AM Coppola, N Corradi, M Corriveau, F Costa, M D'Agostini, G Dal Corso, F de Favereau, J del Peso, J Dementiev, RK De Pasquale, S Derrick, M Devenish, RCE Dobur, D Dolgoshein, BA Doyle, AT Drugakov, V Durkin, LS Dusini, S Eisenberg, Y Ermolov, PF Eskreys, A Fang, S Fazio, S Ferrando, J Ferrero, MI Figiel, J Forrest, M Fourletov, S Galas, A Gallo, E Garfagnini, A Geiser, A Gialas, I Gladilin, LK Gladkov, D Glasman, C Gogota, O Golubkov, YA Gottlicher, P Grabowska-Bold, I Grebenyuk, J Gregor, I Grigorescu, G Grzelak, G Gwenlan, C Haas, T Hain, W Hamatsu, R Hart, JC Hartmann, H Hartner, G Hilger, E Hochman, D Holm, U Hori, R Horton, K Huttmann, A Ibrahim, ZA Iga, Y Ingbir, R Ishitsuka, M Jakob, HP Januschek, F Jimenez, M Jones, TW Jungst, M Kadenko, I Kahle, B Kamaluddin, B Kananov, S Kanno, T Karshon, U Karstens, F Katkov, II Kaur, M Kaur, P Keramidas, A Khein, LA Kim, JY Kisielewska, D Kitamura, S Klanner, R Klein, U Koffeman, E Kollar, D Kooijman, P Korol, I Kotanski, A Kotz, U Kowalski, H Kulinski, P Kuprash, O Kuze, M Kuzmin, VA Lee, A Levchenko, BB Levy, A Libov, V Limentani, S Ling, TY Lisovyi, M Lohmann, W Lohr, B Lohrmann, E Loizides, JH Long, KR Longhin, A Lontkovskyi, D Lukasik, J Lukina, OY Luzniak, P Maeda, J Magill, S Makarenko, I Malka, J Mankel, R Margotti, A Marini, G Martin, JF Mastroberardino, A Matsumoto, T Mattingly, MCK Idris, FM Monaco, V Montanari, A Morris, JD Musgrave, B Nagano, K Namsoo, T Nania, R Nicholass, D Nigro, A Ning, Y Noor, U Notz, D Nowak, RJ Oh, BY Okazaki, N Oliver, K Olkiewicz, K Ota, O Papageorgiu, K Paul, E Pawlak, JM Pawlik, B Pelfer, PG Pellegrino, A Perlanski, W Perrey, H Piotrzkowski, K Plucinski, P Pokrovskiy, NS Polini, A Proskuryakov, AS Raval, A Reeder, DD Reisert, B Ren, Z Ri, YD Robertson, A Roloff, P Ron, E Rubinsky, I Ruspa, M Sacchi, R Salii, A Samson, U Sartorelli, G Savin, AA Saxon, DH Schioppa, M Schleper, P Schmidke, WB Schonberg, V Schwartz, J Sciulli, F Shcheglova, LM Shehzadi, R Shimizu, S Singh, I Skillicorn, IO Slominski, W Smith, WH Sola, V Solano, A Solomin, A Son, D Sosnovtsev, V Spiridonov, A Stadie, H Stanco, L Stern, A Stewart, TP Stifutkin, A Stopa, P Suchkov, S Susinno, G Suszycki, L Sztuk, J Szuba, D Szuba, J Tapper, AD Tassi, E Terron, J Theedt, T Tiecke, H Tokushuku, K Tomalak, O Tomaszewska, J Tsurugai, T Turcato, M Tymieniecka, T Vazquez, M Verbytskyi, A Viazlo, V Vlasov, NN Volynets, O Walczak, R Abdullah, WATW Whitmore, JJ Whyte, J Wing, M Wlasenko, M Wolf, G Wolfe, H Wrona, K Yamada, S Yamazaki, Y Yoshida, R Youngman, C Zarnecki, AF Zenaiev, O Zhautykov, BO Zhmak, N Zhou, C Zichichi, A Zolko, M Zotkin, DS AF Abramowicz, H. Abt, I. Adamczyk, L. Adamus, M. Antonelli, S. Antonioli, P. Antonov, A. Arneodo, M. Aushev, V. Aushev, Y. Bachynska, O. Bamberger, A. Barakbaev, A. N. Barbagli, G. Bari, G. Barreiro, F. Bartsch, D. Basile, M. Behnke, O. Behr, J. Behrens, U. Bellagamba, L. Bertolin, A. Bhadra, S. Bindi, M. Blohm, C. Bold, T. Boos, E. G. Borodin, M. Borras, K. Boscherini, D. Bot, D. Boutle, S. K. Brock, I. Brownson, E. Brugnera, R. Bruemmer, N. Bruni, A. Bruni, G. Brzozowska, B. Bussey, P. J. Butterworth, J. M. Bylsma, B. Caldwell, A. Capua, M. Carlin, R. Catterall, C. D. Chekanov, S. Chwastowski, J. Ciborowski, J. Ciesielski, R. Cifarelli, L. Cindolo, F. Contin, A. Cooper-Sarkar, A. M. Coppola, N. Corradi, M. Corriveau, F. Costa, M. D'Agostini, G. Dal Corso, F. de Favereau, J. del Peso, J. Dementiev, R. K. De Pasquale, S. Derrick, M. Devenish, R. C. E. Dobur, D. Dolgoshein, B. A. Doyle, A. T. Drugakov, V. Durkin, L. S. Dusini, S. Eisenberg, Y. Ermolov, P. F. Eskreys, A. Fang, S. Fazio, S. Ferrando, J. Ferrero, M. I. Figiel, J. Forrest, M. Fourletov, S. Galas, A. Gallo, E. Garfagnini, A. Geiser, A. Gialas, I. Gladilin, L. K. Gladkov, D. Glasman, C. Gogota, O. Golubkov, Y. A. Goettlicher, P. Grabowska-Bold, I. Grebenyuk, J. Gregor, I. Grigorescu, G. Grzelak, G. Gwenlan, C. Haas, T. Hain, W. Hamatsu, R. Hart, J. C. Hartmann, H. Hartner, G. Hilger, E. Hochman, D. Holm, U. Hori, R. Horton, K. Huettmann, A. Ibrahim, Z. A. Iga, Y. Ingbir, R. Ishitsuka, M. Jakob, H. -P. Januschek, F. Jimenez, M. Jones, T. W. Juengst, M. Kadenko, I. Kahle, B. Kamaluddin, B. Kananov, S. Kanno, T. Karshon, U. Karstens, F. Katkov, I. I. Kaur, M. Kaur, P. Keramidas, A. Khein, L. A. Kim, J. Y. Kisielewska, D. Kitamura, S. Klanner, R. Klein, U. Koffeman, E. Kollar, D. Kooijman, P. Korol, I. Kotanski, A. Koetz, U. Kowalski, H. Kulinski, P. Kuprash, O. Kuze, M. Kuzmin, V. A. Lee, A. Levchenko, B. B. Levy, A. Libov, V. Limentani, S. Ling, T. Y. Lisovyi, M. Lohmann, W. Loehr, B. Lohrmann, E. Loizides, J. H. Long, K. R. Longhin, A. Lontkovskyi, D. Lukasik, J. Lukina, O. Y. Luzniak, P. Maeda, J. Magill, S. Makarenko, I. Malka, J. Mankel, R. Margotti, A. Marini, G. Martin, J. F. Mastroberardino, A. Matsumoto, T. Mattingly, M. C. K. Idris, F. Mohamad Monaco, V. Montanari, A. Morris, J. D. Musgrave, B. Nagano, K. Namsoo, T. Nania, R. Nicholass, D. Nigro, A. Ning, Y. Noor, U. Notz, D. Nowak, R. J. Oh, B. Y. Okazaki, N. Oliver, K. Olkiewicz, K. Ota, O. Papageorgiu, K. Paul, E. Pawlak, J. M. Pawlik, B. Pelfer, P. G. Pellegrino, A. Perlanski, W. Perrey, H. Piotrzkowski, K. Plucinski, P. Pokrovskiy, N. S. Polini, A. Proskuryakov, A. S. Raval, A. Reeder, D. D. Reisert, B. Ren, Z. Ri, Y. D. Robertson, A. Roloff, P. Ron, E. Rubinsky, I. Ruspa, M. Sacchi, R. Salii, A. Samson, U. Sartorelli, G. Savin, A. A. Saxon, D. H. Schioppa, M. Schleper, P. Schmidke, W. B. Schonberg, V. Schwartz, J. Sciulli, F. Shcheglova, L. M. Shehzadi, R. Shimizu, S. Singh, I. Skillicorn, I. O. Slominski, W. Smith, W. H. Sola, V. Solano, A. Solomin, A. Son, D. Sosnovtsev, V. Spiridonov, A. Stadie, H. Stanco, L. Stern, A. Stewart, T. P. Stifutkin, A. Stopa, P. Suchkov, S. Susinno, G. Suszycki, L. Sztuk, J. Szuba, D. Szuba, J. Tapper, A. D. Tassi, E. Terron, J. Theedt, T. Tiecke, H. Tokushuku, K. Tomalak, O. Tomaszewska, J. Tsurugai, T. Turcato, M. Tymieniecka, T. Vazquez, M. Verbytskyi, A. Viazlo, V. Vlasov, N. N. Volynets, O. Walczak, R. Abdullah, W. A. T. Wan Whitmore, J. J. Whyte, J. Wing, M. Wlasenko, M. Wolf, G. Wolfe, H. Wrona, K. Yamada, S. Yamazaki, Y. Yoshida, R. Youngman, C. Zarnecki, A. F. Zenaiev, O. Zhautykov, B. O. Zhmak, N. Zhou, C. Zichichi, A. Zolko, M. Zotkin, D. S. CA ZEUS Collaboration TI Scaled momentum spectra in deep inelastic scattering at HERA SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Lepton-Nucleon Scattering ID CENTRAL TRACKING DETECTOR; ZEUS BARREL CALORIMETER; MONTE-CARLO GENERATOR; FRAGMENTATION FUNCTIONS; SCALING VIOLATIONS; E+E-ANNIHILATION; QCD CASCADES; BREIT FRAME; PARTICLE-PRODUCTION; REAR CALORIMETER AB Charged particle production has been studied in neutral current deep inelastic ep scattering with the ZEUS detector at HERA using an integrated luminosity of 0.44 fb(-1). Distributions of scaled momenta in the Breit frame are presented for particles in the current fragmentation region. The evolution of these spectra with the photon virtuality, Q(2), is described in the kinematic region 10 < Q(2) < 41000 Ge V-2. Next-to-leading-order and modified leading-log-approximation QCD calculations as well as predictions from Monte Carlo models are compared to the data. The results are also compared to e(+)e(-) annihilation data. The dependences of the pseudorapidity distribution of the particles on Q(2) and on the energy in the gamma p system, W, are presented and interpreted in the context of the hypothesis of limiting fragmentation. C1 [Abramowicz, H.; Ingbir, R.; Kananov, S.; Levy, A.; Stern, A.] Tel Aviv Univ, Sch Phys, Raymond & Beverly Sackler Fac Exact Sci, Tel Aviv, Israel. [Chekanov, S.; Derrick, M.; Magill, S.; Musgrave, B.; Nicholass, D.; Yoshida, R.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mattingly, M. C. K.] Andrews Univ, Berrien Springs, MI 49104 USA. [Antonioli, P.; Bari, G.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Cindolo, F.; Corradi, M.; 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.; Sartorelli, G.; Zichichi, A.] Univ Bologna, Bologna, Italy. [Antonelli, S.; Basile, M.; Bindi, M.; Cifarelli, L.; Contin, A.; De Pasquale, S.; Sartorelli, G.; Zichichi, A.] Ist Nazl Fis Nucl, I-40126 Bologna, Italy. [Bartsch, D.; Brock, I.; Hartmann, H.; Hilger, E.; Jakob, H. -P.; Juengst, M.; Paul, E.; Schonberg, V.; Shehzadi, R.] Univ Bonn, Inst Phys, D-5300 Bonn, Germany. [Morris, J. D.; Solomin, A.] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. [Kaur, M.; Kaur, P.; Singh, I.] Panjab Univ, Dept Phys, Chandigarh 160014, India. [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. [Kim, J. Y.] Chonnam Natl Univ, Kwangju, South Korea. [Ibrahim, Z. A.; Kamaluddin, B.; Idris, F. Mohamad; Abdullah, W. A. T. Wan] Univ Malaya, Kuala Lumpur 50603, Malaysia. [Ning, Y.; Ren, Z.; Sciulli, F.] Columbia Univ, Nevis Labs, Irvington, NY 10027 USA. [Chwastowski, J.; Eskreys, A.; Figiel, J.; Galas, A.; Olkiewicz, K.; Pawlik, B.; Stopa, P.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Adamczyk, L.; Bold, T.; Grabowska-Bold, I.; Kisielewska, D.; Lukasik, J.; Suszycki, L.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Kotanski, A.; Slominski, W.] Jagiellonian Univ, Dept Phys, Krakow, Poland. [Bachynska, O.; Behnke, O.; Behr, J.; Behrens, U.; Blohm, C.; Borras, K.; Bot, D.; Ciesielski, R.; Coppola, N.; Fang, S.; Geiser, A.; Goettlicher, P.; Grebenyuk, J.; Gregor, I.; Haas, T.; Hain, W.; Huettmann, A.; Januschek, F.; Kahle, B.; Katkov, I. I.; Klein, U.; Koetz, U.; Kowalski, H.; Libov, V.; Lisovyi, M.; Loehr, B.; Mankel, R.; Montanari, A.; Namsoo, T.; Notz, D.; Raval, A.; Roloff, P.; Rubinsky, I.; Spiridonov, A.; Szuba, D.; Szuba, J.; Theedt, T.; Tomaszewska, J.; Verbytskyi, A.; Wolf, G.; Wrona, K.; Youngman, C.] Deutsch Elektronen Synchrotron DESY, Hamburg, Germany. [Drugakov, V.; Lohmann, W.] Deutsch Elektronen Synchrotron DESY, Zeuthen, Germany. [Barbagli, G.; Gallo, E.] Ist Nazl Fis Nucl, I-50125 Florence, Italy. [Pelfer, P. G.] Univ Florence, Florence, Italy. [Pelfer, P. G.] Ist Nazl Fis Nucl, I-50125 Florence, Italy. [Bamberger, A.; Dobur, D.; Karstens, F.; Vlasov, N. N.] Univ Freiburg, Fak Phys, D-7800 Freiburg, Germany. [Bussey, P. J.; Doyle, A. T.; Forrest, M.; Saxon, D. H.; Skillicorn, I. O.] Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. [Gialas, I.; Papageorgiu, K.] Univ Aegean, Dept Engn Management & Finance, Chios, Greece. [Holm, U.; Klanner, R.; Lohrmann, E.; Perrey, H.; Schleper, P.; Stadie, H.; Sztuk, J.; Turcato, M.] Univ Hamburg, Inst Exp Phys, Hamburg, Germany. [Long, K. R.; Tapper, A. D.] Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. [Matsumoto, T.; Nagano, K.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.] KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan. [Barakbaev, A. N.; Boos, E. G.; Pokrovskiy, N. S.; Zhautykov, B. O.] Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. [Aushev, V.; Aushev, Y.; Borodin, M.; Gogota, O.; Kadenko, I.; Korol, I.; Kuprash, O.; Lontkovskyi, D.; Makarenko, I.; Salii, A.; Tomalak, O.; Viazlo, V.; Volynets, O.; Zenaiev, O.; Zhmak, N.; Zolko, M.] Natl Acad Sci Ukraine, Inst Nucl Res, Kiev, Ukraine. [Aushev, V.; Aushev, Y.; Borodin, M.; Gogota, O.; Kadenko, I.; Korol, I.; Kuprash, O.; Lontkovskyi, D.; Makarenko, I.; Salii, A.; Tomalak, O.; Viazlo, V.; Volynets, O.; Zenaiev, O.; Zhmak, N.; Zolko, M.] Kiev Natl Univ, Kiev, Ukraine. [Son, D.] Kyungpook Natl Univ, Ctr High Energy Phys, Taegu, South Korea. [de Favereau, J.; Piotrzkowski, K.] Catholic Univ Louvain, Inst Phys Nucl, B-1348 Louvain, Belgium. [Barreiro, F.; del Peso, J.; Glasman, C.; Jimenez, M.; Ron, E.; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. [Corriveau, F.; Schwartz, J.; Zhou, C.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Tsurugai, T.] Meiji Gakuin Univ, Fac Gen Educ, Yokohama, Kanagawa, Japan. [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, Y. A.; Khein, L. A.; Kuzmin, V. A.; Levchenko, B. B.; Lukina, O. Y.; Proskuryakov, A. S.; Shcheglova, L. M.; Zotkin, D. S.] Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow, Russia. [Abt, I.; Caldwell, A.; Kollar, D.; Reisert, B.; Schmidke, W. B.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Grigorescu, G.; Keramidas, A.; Koffeman, E.; Kooijman, P.; Pellegrino, A.; Tiecke, H.; Vazquez, M.] NIKHEF H, NL-1009 DB Amsterdam, Netherlands. [Grigorescu, G.; Keramidas, A.; Koffeman, E.; Kooijman, P.; Pellegrino, A.; Tiecke, H.; Vazquez, M.] Univ Amsterdam, Amsterdam, Netherlands. [Bruemmer, N.; Bylsma, B.; Durkin, L. S.; Lee, A.; Ling, T. Y.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Cooper-Sarkar, A. M.; Devenish, R. C. E.; Ferrando, J.; 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 Padua, Dipartimento Fis, Padua, Italy. [Brugnera, R.; Carlin, R.; Garfagnini, A.; Limentani, S.] Ist Nazl Fis Nucl, Padua, Italy. [Oh, B. Y.; Whitmore, J. J.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Iga, Y.] Polytech Univ, Sagamihara, Kanagawa, Japan. [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. [Hart, J. C.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [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.] Univ Turin, Turin, Italy. [Costa, M.; Ferrero, M. I.; Monaco, V.; Sacchi, R.; Sola, V.; Solano, A.] Ist Nazl Fis Nucl, I-10125 Turin, Italy. [Arneodo, M.; Ruspa, M.] Univ Piemonte Orientale, Turin, Italy. [Arneodo, M.; Ruspa, M.] Ist Nazl Fis Nucl, I-10125 Turin, Italy. [Fourletov, S.; Martin, J. F.; Stewart, T. P.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Boutle, S. K.; Butterworth, J. M.; Jones, T. W.; Loizides, J. H.; Wing, M.] UCL, Dept Phys & Astron, London, England. [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. [Eisenberg, Y.; Hochman, D.; Karshon, U.] Weizmann Inst Sci, Dept Particle Phys, Rehovot, Israel. [Brownson, E.; Reeder, D. D.; Savin, A. A.; Smith, W. H.; Wolfe, H.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Bhadra, S.; Catterall, C. D.; Hartner, G.; Noor, U.; Whyte, J.] York Univ, Dept Phys, N York, ON M3J 1P3, Canada. RP Abramowicz, H (reprint author), Tel Aviv Univ, Sch Phys, Raymond & Beverly Sackler Fac Exact Sci, Tel Aviv, Israel. RI dusini, stefano/J-3686-2012; Capua, Marcella/A-8549-2015; Ferrando, James/A-9192-2012; Doyle, Anthony/C-5889-2009; Fazio, Salvatore /G-5156-2010; Proskuryakov, Alexander/J-6166-2012; Levchenko, B./D-9752-2012; Dementiev, Roman/K-7201-2012; Gladilin, Leonid/B-5226-2011; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Tassi, Enrico/K-3958-2015; Suchkov, Sergey/M-6671-2015; Solomin, Anatoly/C-3072-2016; De Pasquale, Salvatore/B-9165-2008 OI dusini, stefano/0000-0002-1128-0664; Capua, Marcella/0000-0002-2443-6525; Longhin, Andrea/0000-0001-9103-9936; Raval, Amita/0000-0003-0164-4337; Ferrando, James/0000-0002-1007-7816; Doyle, Anthony/0000-0001-6322-6195; Gladilin, Leonid/0000-0001-9422-8636; De Pasquale, Salvatore/0000-0001-9236-0748 FU DESY directorate FX We appreciate the contributions to the construction and maintenance of the ZEUS detector of many people who are not listed as authors. The HERA machine group and the DESY computing staff are especially acknowledged for their success in providing excellent operation of the collider and the data analysis environment. We thank the DESY directorate for their strong support and encouragement. We thank W. Khoze, W. Ochs, R. Sassot, A. Bialas and M. Jezabek for fruitful discussions. We especially would like to thank S. Albino for providing the QCD calculations and for instructive discussions. NR 74 TC 5 Z9 5 U1 0 U2 6 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 JUN PY 2010 IS 6 AR 009 DI 10.1007/JHEP06(2010)009 PG 42 WC Physics, Particles & Fields SC Physics GA 622AP UT WOS:000279630700009 ER PT J AU Airapetian, A Akopov, N Akopov, Z Aschenauer, EC Augustyniak, W Avakian, R Avetissian, A Avetisyan, E Ball, B Belostotski, S Bianchi, N Blok, HP Bottcher, H Borissov, A Bowles, J Brodski, I Bryzgalov, V Burns, J Capiluppi, M Capitani, GP Cisbani, E Ciullo, G Contalbrigo, M Dalpiaz, PF Deconinck, W De Leo, R De Nardo, L De Sanctis, E Diefenthaler, M Di Nezza, P Duren, M Ehrenfried, M Elbakian, G Ellinghaus, F Fabbri, R Fantoni, A Felawka, L Frullani, S Gabbert, D Gapienko, G Gapienko, V Garibaldi, F Gavrilov, G Gharibyan, V Giordano, F Gliske, S Golembiovskaya, M Hadjidakis, C Hartig, M Hasch, D Hill, G Hillenbrand, A Hoek, M Holler, Y Hristova, I Imazu, Y Ivanilov, A Izotov, A Jackson, H Jo, HS Joosten, S Kaiser, R Karyan, G Keri, T Kinney, E Kisselev, A Kobayashi, N Korotkov, V Kozlov, V Kravchenko, P Krivokhijine, VG Lagamba, L Lamb, R Lapikas, L Lehmann, I Lenisa, P Linden-Levy, LA Ruiz, AL Lorenzon, W Lu, XG Lu, XR Ma, BQ Mahon, D Makins, NCR Manaenkov, SI Manfre, L Mao, Y Marianski, B de la Ossa, AM Marukyan, H Miller, CA Miyachi, Y Movsisyan, A Muccifora, V Murray, M Mussgiller, A Nappi, E Naryshkin, Y Nass, A Negodaev, M Nowak, WD Pappalardo, LL Perez-Benito, R Pickert, N Raithel, M Reimer, PE Reolon, AR Riedl, C Rith, K Rosner, G Rostomyan, A Rubin, J Ryckbosch, D Salomatin, Y Sanftl, F Schafer, A Schnell, G Schuler, KP Seitz, B Shibata, TA Shutov, V Stancari, M Statera, M Steffens, E Steijger, JJM Stenzel, H Stewart, J Stinzing, F Taroian, S Terkulov, A Trzcinski, A Tytgat, M Vandenbroucke, A van der Nat, PB van Haarlem, Y Van Hulse, C Veretennikov, D Vikhrov, V Vilardi, I Vogel, C Wang, S Yaschenko, S Ye, H Ye, Z Yen, S Yu, W Zeiler, D Zihlmann, B Zupranski, P AF Airapetian, A. Akopov, N. Akopov, Z. Aschenauer, E. C. Augustyniak, W. Avakian, R. Avetissian, A. Avetisyan, E. Ball, B. Belostotski, S. Bianchi, N. Blok, H. P. Boettcher, H. Borissov, A. Bowles, J. Brodski, I. Bryzgalov, V. Burns, J. Capiluppi, M. Capitani, G. P. Cisbani, E. Ciullo, G. Contalbrigo, M. Dalpiaz, P. F. Deconinck, W. De Leo, R. De Nardo, L. De Sanctis, E. Diefenthaler, M. Di Nezza, P. Dueren, M. Ehrenfried, M. Elbakian, G. Ellinghaus, F. Fabbri, R. Fantoni, A. Felawka, L. Frullani, S. Gabbert, D. Gapienko, G. Gapienko, V. Garibaldi, F. Gavrilov, G. Gharibyan, V. Giordano, F. Gliske, S. Golembiovskaya, M. Hadjidakis, C. Hartig, M. Hasch, D. Hill, G. Hillenbrand, A. Hoek, M. Holler, Y. Hristova, I. Imazu, Y. Ivanilov, A. Izotov, A. Jackson, H. E. Jo, H. S. Joosten, S. Kaiser, R. Karyan, G. Keri, T. Kinney, E. Kisselev, A. Kobayashi, N. Korotkov, V. Kozlov, V. Kravchenko, P. Krivokhijine, V. G. Lagamba, L. Lamb, R. Lapikas, L. Lehmann, I. Lenisa, P. Linden-Levy, L. A. Ruiz, A. Lopez Lorenzon, W. Lu, X. -G. Lu, X. -R. Ma, B. -Q. Mahon, D. Makins, N. C. R. Manaenkov, S. I. Manfre, L. Mao, Y. Marianski, B. de la Ossa, A. Martinez Marukyan, H. Miller, C. A. Miyachi, Y. Movsisyan, A. Muccifora, V. Murray, M. Mussgiller, A. Nappi, E. Naryshkin, Y. Nass, A. Negodaev, M. Nowak, W. -D. Pappalardo, L. L. Perez-Benito, R. Pickert, N. Raithel, M. Reimer, P. E. Reolon, A. R. Riedl, C. Rith, K. Rosner, G. Rostomyan, A. Rubin, J. Ryckbosch, D. Salomatin, Y. Sanftl, F. Schafer, A. Schnell, G. Schueler, K. P. Seitz, B. Shibata, T. -A. Shutov, V. Stancari, M. Statera, M. Steffens, E. Steijger, J. J. M. Stenzel, H. Stewart, J. Stinzing, F. Taroian, S. Terkulov, A. Trzcinski, A. Tytgat, M. Vandenbroucke, A. van der Nat, P. B. van Haarlem, Y. Van Hulse, C. Veretennikov, D. Vikhrov, V. Vilardi, I. Vogel, C. Wang, S. Yaschenko, S. Ye, H. Ye, Z. Yen, S. Yu, W. Zeiler, D. Zihlmann, B. Zupranski, P. CA Hermes Collaboration TI Exclusive leptoproduction of real photons on a longitudinally polarised hydrogen target SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Lepton-Nucleon Scattering ID VIRTUAL COMPTON-SCATTERING; FORWARD PARTON DISTRIBUTIONS; ELECTROPRODUCTION; ASYMMETRIES; NUCLEON; REGION AB Polarisation asymmetries are measured for the hard exclusive leptoproduction of real photons from a longitudinally polarised hydrogen target. These asymmetries arise from the deeply virtual Compton scattering and Bethe-Heitler processes. From the data are extracted two asymmetries in the azimuthal distribution of produced real photons about the direction of the exchanged virtual photon: A(UL) with respect to the target polarisation and A(LL) with respect to the product of the beam and target polarisations. Results for both asymmetries are compared to the predictions from a generalised parton distribution model. The sin phi and cos(0 phi) amplitudes observed respectively for the A(UL) and A(LL) asymmetries are compatible with the sizeable predictions from the model. Unexpectedly, a sin(2 phi) modulation in the A(UL) asymmetry with a magnitude similar to that of the sin phi modulation is observed. C1 [Airapetian, A.; Brodski, I.; Dueren, M.; Ehrenfried, M.; Keri, T.; Perez-Benito, R.; Stenzel, H.; Yu, W.] Univ Giessen, Inst Phys, D-35392 Giessen, Germany. [Aschenauer, E. C.; Jackson, H. E.; Reimer, P. E.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Deconinck, W.; Lagamba, L.; Nappi, E.; Vilardi, I.] Ist Nazl Fis Nucl, I-70124 Bari, Italy. [Ellinghaus, F.; Ma, B. -Q.; Mao, Y.; Wang, S.; Ye, H.] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. [Ellinghaus, F.; Hartig, M.; Kinney, E.; de la Ossa, A. Martinez] Univ Colorado, Nucl Phys Lab, Boulder, CO 80309 USA. [Akopov, Z.; Avetisyan, E.; Borissov, A.; Deconinck, W.; De Nardo, L.; Gavrilov, G.; Giordano, F.; Hartig, M.; Holler, Y.; Mussgiller, A.; Rostomyan, A.; Schueler, K. P.; Ye, Z.; Zihlmann, B.] DESY, D-22603 Hamburg, Germany. [Aschenauer, E. C.; Boettcher, H.; Fabbri, R.; Gabbert, D.; Golembiovskaya, M.; Hillenbrand, A.; Hristova, I.; Lu, X. -G.; Negodaev, M.; Nowak, W. -D.; Riedl, C.; Schnell, G.; Stewart, J.; Yaschenko, S.] DESY, D-15738 Zeuthen, Germany. [Krivokhijine, V. G.; Shutov, V.] Joint Inst Nucl Res, Dubna 141980, Russia. [Diefenthaler, M.; Mussgiller, A.; Nass, A.; Pickert, N.; Raithel, M.; Rith, K.; Steffens, E.; Stinzing, F.; Vogel, C.; Yaschenko, S.; Zeiler, D.] Univ Erlangen Nurnberg, Inst Phys, D-91058 Erlangen, Germany. [Capiluppi, M.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Giordano, F.; Lenisa, P.; Pappalardo, L. L.; Stancari, M.; Statera, M.] Univ Ferrara, Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy. [Capiluppi, M.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Giordano, F.; Lenisa, P.; Pappalardo, L. L.; Stancari, M.; Statera, M.] Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. [Bianchi, N.; Capitani, G. P.; De Sanctis, E.; Di Nezza, P.; Fantoni, A.; Hadjidakis, C.; Hasch, D.; Muccifora, V.; Reolon, A. R.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [De Nardo, L.; Gabbert, D.; Jo, H. S.; Joosten, S.; Ruiz, A. Lopez; Ryckbosch, D.; Schnell, G.; Tytgat, M.; Vandenbroucke, A.; van Haarlem, Y.; Van Hulse, C.] Univ Ghent, Dept Subat & Radiat Phys, B-9000 Ghent, Belgium. [Bowles, J.; Burns, J.; Hill, G.; Hoek, M.; Kaiser, R.; Keri, T.; Lehmann, I.; Mahon, D.; Murray, M.; Rosner, G.; Seitz, B.] Univ Glasgow, Dept Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland. [Diefenthaler, M.; Joosten, S.; Lamb, R.; Linden-Levy, L. A.; Makins, N. C. R.; Rubin, J.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Airapetian, A.; Ball, B.; Gliske, S.; Lorenzon, W.] Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. [Kozlov, V.; Terkulov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Blok, H. P.; Lapikas, L.; Steijger, J. J. M.; van der Nat, P. B.] Natl Inst Subat Phys Nikhef, NL-1009 DB Amsterdam, Netherlands. [Belostotski, S.; Gavrilov, G.; Izotov, A.; Kisselev, A.; Kravchenko, P.; Manaenkov, S. I.; Naryshkin, Y.; Veretennikov, D.; Vikhrov, V.] Petersburg Nucl Phys Inst, Gatchina 188300, Russia. [Bryzgalov, V.; Gapienko, G.; Gapienko, V.; Ivanilov, A.; Korotkov, V.; Salomatin, Y.] Inst High Energy Phys, Protvino 142281, Moscow Region, Russia. [Sanftl, F.; Schafer, A.] Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. [Cisbani, E.; Frullani, S.; Garibaldi, F.; Manfre, L.] Ist Nazl Fis Nucl, Ist Super Sanita, Sez Roma 1, Grp Sanita & Phys Lab, I-00161 Rome, Italy. [Felawka, L.; Gavrilov, G.; Miller, C. A.; Yen, S.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Imazu, Y.; Kobayashi, N.; Lu, X. -R.; Miyachi, Y.; Shibata, T. -A.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [Blok, H. P.] Vrije Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. [Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P.] Andrzej Soltan Inst Nucl Studies, PL-00689 Warsaw, Poland. [Akopov, N.; Avakian, R.; Avetissian, A.; Elbakian, G.; Gharibyan, V.; Karyan, G.; Marukyan, H.; Movsisyan, A.; Taroian, S.] Yerevan Phys Inst, Yerevan 375036, Armenia. RP Airapetian, A (reprint author), Univ Giessen, Inst Phys, D-35392 Giessen, Germany. RI Cisbani, Evaristo/C-9249-2011; Deconinck, Wouter/F-4054-2012; Gavrilov, Gennady/C-6260-2013; Reimer, Paul/E-2223-2013; Negodaev, Mikhail/A-7026-2014; Taroian, Sarkis/E-1668-2014; Kozlov, Valentin/M-8000-2015; Terkulov, Adel/M-8581-2015 OI Cisbani, Evaristo/0000-0002-6774-8473; FU DESY management; FWO-Flanders; IWT, Belgium; Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China; Alexander von Humboldt Stiftung; German Bundesministerium fur Bildung und Forschung (BMBF); Deutsche Forschungsgemeinschaft (DFG); Italian Istituto Nazionale di Fisica Nucleare (INFN); MEXT; JSPS; G-COE of Japan; Dutch Foundation for Fundamenteel Onderzoek der Materie (FOM); U.K. Engineering and Physical Sciences Research Council; Science and Technology Facilities Council; Scottish Universities Physics Alliance; U.S. Department of Energy (DOE); National Science Foundation (NSF); Russian Academy of Science; Russian Federal Agency for Science and Innovations; Ministry of Economy; Ministry of Education and Science of Armenia FX We gratefully acknowledge the DESY management for its support and the staff at DESY and the collaborating institutions for their significant effort. This work was supported by the FWO-Flanders and IWT, Belgium; the Natural Sciences and Engineering Research Council of Canada; the National Natural Science Foundation of China; the Alexander von Humboldt Stiftung; the German Bundesministerium fur Bildung und Forschung (BMBF); the Deutsche Forschungsgemeinschaft (DFG); the Italian Istituto Nazionale di Fisica Nucleare (INFN); the MEXT, JSPS, and G-COE of Japan; the Dutch Foundation for Fundamenteel Onderzoek der Materie (FOM); the U.K. Engineering and Physical Sciences Research Council, the Science and Technology Facilities Council, and the Scottish Universities Physics Alliance; the U.S. Department of Energy (DOE) and the National Science Foundation (NSF); the Russian Academy of Science and the Russian Federal Agency for Science and Innovations; and the Ministry of Economy and the Ministry of Education and Science of Armenia. NR 33 TC 31 Z9 31 U1 1 U2 6 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 JUN PY 2010 IS 6 AR 019 DI 10.1007/JHEP06(2010)019 PG 19 WC Physics, Particles & Fields SC Physics GA 622AP UT WOS:000279630700019 ER PT J AU Avsar, E Stasto, AM AF Avsar, Emil Stasto, Anna M. TI Non-linear evolution in CCFM: the interplay between coherence and saturation SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Deep Inelastic Scattering; QCD ID COLOR GLASS CONDENSATE; INITIAL-STATE RADIATION; GLUON DISTRIBUTION-FUNCTIONS; SMALL-X EVOLUTION; BFKL EQUATION; RENORMALIZATION-GROUP; FINAL-STATES; LARGE NUCLEI; QCD; RESUMMATION AB We solve the CCFM equation numerically in the presence of a boundary condition which effectively incorporates the non-linear dynamics. We retain the full dependence of the unintegrated gluon distribution on the coherence scale, and extract the saturation momentum. The resulting saturation scale is a function of both rapidity and the coherence momentum. In Deep Inelastic Scattering this will lead to a dependence of the saturation scale on the photon virtuality in addition to the usual x(Bj) dependence. At asymptotic energies the interplay between the perturbative non-linear physics, and that of the QCD coherence, leads to an interesting and novel dynamics where the saturation momentum itself eventually saturates. We also investigate various implementations of the "non-Sudakov" form factor. It is shown that the non-linear dynamics leads to almost identical results for different form factors. Finally, different choices of the scale of the running coupling are analyzed and implications for the phenomenology are discussed. C1 [Avsar, Emil; Stasto, Anna M.] Penn State Univ, Davey Lab 104, University Pk, PA 16802 USA. [Stasto, Anna M.] Brookhaven Natl Lab, RIKEN Ctr, Upton, NY 11973 USA. [Stasto, Anna M.] Polish Acad Sci, Inst Nucl Phys, Krakow, Poland. RP Avsar, E (reprint author), Penn State Univ, Davey Lab 104, University Pk, PA 16802 USA. EM eavsar@phys.psu.edu; astasto@phys.psu.edu FU U.S. D.O.E. [DE-FG02-90-ER-40577, DE-SC0002145]; MNiSW [N202 249235]; Sloan Foundation FX This work is partially supported by U.S. D.O.E. grant number DE-FG02-90-ER-40577, U.S. D.O.E. OJI grant number DE-SC0002145 and MNiSW grant number N202 249235. A.M.S. is also supported by the Sloan Foundation. NR 59 TC 8 Z9 8 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 JUN PY 2010 IS 6 AR 112 DI 10.1007/JHEP06(2010)112 PG 37 WC Physics, Particles & Fields SC Physics GA 622AQ UT WOS:000279630800059 ER PT J AU Cheung, C AF Cheung, Clifford TI Axion protection from flavor SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Gauge Symmetry; Global Symmetries; Quark Masses and SM Parameters; QCD ID RADIATIVE FERMION MASSES; TOP-QUARK MASS; CP CONSERVATION; GAUGE-SYMMETRY; BARYON NUMBER; BLACK HOLES; HIERARCHY; VIOLATION; GRAVITY; NONEXISTENCE AB The QCD axion fails to solve the strong CP problem unless all explicit PQ violating, Planck-suppressed, dimension n < 10 operators are forbidden or have exponentially small coefficients. We show that all theories with a QCD axion contain an irreducible source of explicit PQ violation which is proportional to the determinant of the Yukawa interaction matrix of colored fermions. Generically, this contribution is of low operator dimension and will drastically destabilize the axion potential, so its suppression is a necessary condition for solving the strong CP problem. We propose a mechanism whereby the PQ symmetry is kept exact up to n = 12 with the help of the very same flavor symmetries which generate the hierarchical quark masses and mixings of the SM. This "axion flavor protection" is straightforwardly realized in theories which employ radiative fermion mass generation and grand unification. A universal feature of this construction is that the heavy quark Yukawa couplings are generated at the PQ breaking scale. C1 [Cheung, Clifford] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Cheung, Clifford] Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Cheung, C (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM clifford.cheung@berkeley.edu FU National Science Foundation [PHY-0555661] FX It is a pleasure to thank M. Dine and K. S. Babu for helpful discussions and comments on the draft. We especially thank J. Thaler for many helpful discussions and comments, as well as collaboration at the early stages of this work. The work of C.C. was supported by the National Science Foundation under grant PHY-0555661. NR 46 TC 6 Z9 6 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 JUN PY 2010 IS 6 AR 074 DI 10.1007/JHEP06(2010)074 PG 16 WC Physics, Particles & Fields SC Physics GA 622AQ UT WOS:000279630800021 ER PT J AU Hook, A Wacker, JG AF Hook, Anson Wacker, Jay G. TI Collective quartics from simple groups SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Higgs Physics; Beyond Standard Model ID COMPOSITE HIGGS-MODEL; VACUUM MISALIGNMENT; SYMMETRY-BREAKING; SU(2) AB This article classifies Little Higgs models that have collective quartic couplings. There are two classes of collective quartics. Special Cosets and Special Quartics. After taking into account dangerous singlets, the smallest Special Coset models are SU(5)/SO(5) and SU(6)/Sp(6). The smallest Special Quartic model is SU(5)/SU(3) x SU(2) x U(1) and has not previously been considered as a candidate Little Higgs model C1 [Hook, Anson; Wacker, Jay G.] Stanford Linear Accelerator Ctr, Theory Grp, Menlo Pk, CA 94025 USA. RP Hook, A (reprint author), Stanford Linear Accelerator Ctr, Theory Grp, Menlo Pk, CA 94025 USA. EM hook@stanford.edu; jgwacker@stanford.edu FU US DOE [DE-AC02-76SF00515]; Stanford Institute for Theoretical Physics FX We thank Martin Schmaltz, Takemichi Okui and Jesse Thaler for useful discussions. We thank Daniele Alves, Kassa Betre, and Eder Izaguirre and especially Mariangela Lisanti for useful comments on the draft. JGW would like to thank Josephine Suh for early collaboration on this work. AH and JGW are supported by the US DOE under contract number DE-AC02-76SF00515 and receive partial support from the Stanford Institute for Theoretical Physics. JGW is partially supported by the US DOE's Outstanding Junior Investigator Award. JGW thanks the Galileo Galilei Institute for their hospitality during the later stages of this work. NR 52 TC 3 Z9 3 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 JUN PY 2010 IS 6 AR 041 DI 10.1007/JHEP06(2010)041 PG 20 WC Physics, Particles & Fields SC Physics GA 622AP UT WOS:000279630700041 ER PT J AU Lehner, C Hashimoto, S Wettig, T AF Lehner, Christoph Hashimoto, Shoji Wettig, Tilo TI The epsilon expansion at next-to-next-to-leading order with small imaginary chemical potential SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Lattice QCD; Chiral Lagrangians ID CHIRAL PERTURBATION-THEORY; ONE-LOOP; SYMMETRY; QCD AB We discuss chiral perturbation theory for two and three quark flavors in the epsilon expansion at next-to-next-to-leading order (NNLO) including a small imaginary chemical potential We calculate finite-volume corrections to the low-energy constants Sigma and F and determine the non-universal modifications of the theory, i.e., modifications that cannot be mapped to random matrix theory (RMT) In the special case of two quark flavors in an asymmetric box we discuss how to minimize the finite-volume corrections and non-universal modifications by an optimal choice of the lattice geometry. Furthermore we provide a detailed calculation of a special version of the massless sunset diagram at finite volume. C1 [Lehner, Christoph; Wettig, Tilo] Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. [Lehner, Christoph] Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. [Hashimoto, Shoji] High Energy Accelerator Res Org, Tsukuba, Ibaraki 305080, Japan. RP Lehner, C (reprint author), Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. EM clehner@quark.phy.bnl.gov; shoji.hashimoto@kek.jp OI Lehner, Christoph/0000-0002-3584-4567 NR 26 TC 9 Z9 9 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 JUN PY 2010 IS 6 AR 028 DI 10.1007/JHEP06(2010)028 PG 24 WC Physics, Particles & Fields SC Physics GA 622AP UT WOS:000279630700028 ER PT J AU Ferguson, IM Dracup, JA Duffy, PB Pegion, P Schubert, S AF Ferguson, Ian M. Dracup, John A. Duffy, Philip B. Pegion, Philip Schubert, Siegfried TI Influence of SST Forcing on Stochastic Characteristics of Simulated Precipitation and Drought SO JOURNAL OF HYDROMETEOROLOGY LA English DT Article ID SEA-SURFACE TEMPERATURE; MOISTURE-RAINFALL FEEDBACK; NINO-SOUTHERN OSCILLATION; WESTERN UNITED-STATES; LONG-TERM DROUGHT; US GREAT-PLAINS; SOIL-MOISTURE; SEASONAL PREDICTION; GCM SIMULATIONS; NORTH-AMERICA AB Recent studies demonstrate that ocean-atmosphere forcing by persistent sea surface temperature (SST) anomalies is a primary driver of seasonal-to-interannual hydroclimatic variability, including drought events. Other studies, however, conclude that although SST anomalies influence the timing of drought events, their duration and magnitude over continental regions is largely governed by land-atmosphere feedbacks. Here the authors evaluate the direct influence of SST anomalies on the stochastic characteristics of precipitation and drought in two ensembles of AGCM simulations forced with observed (interannually varying) monthly SST and their climatological annual cycle, respectively. Results demonstrate that ocean-atmosphere forcing contributes to the magnitude and persistence of simulated seasonal precipitation anomalies throughout the tropics but over few mid- and high-latitude regions. Significant autocorrelation of simulated seasonal anomalies over oceans is directly forced by persistent SST anomalies; over land, SST anomalies are shown to enhance autocorrelation associated with land-atmosphere feedbacks. SST anomalies are shown to have no significant influence on simulated drought frequency, duration, or magnitude over most midlatitude land regions. Results suggest that severe and sustained drought events may occur in the absence of persistent SST forcing and support recent conclusions that ocean-atmosphere forcing primarily influences the timing of drought events, while duration and magnitude are governed by other mechanisms such as land-atmosphere feedbacks. Further analysis is needed to assess the potential model dependence of results and to quantify the relative contribution of land-atmosphere feedbacks to the long-term stochastic characteristics of precipitation and drought. C1 [Ferguson, Ian M.] Colorado Sch Mines, Dept Geol & Geol Engn, Golden, CO 80401 USA. [Dracup, John A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Duffy, Philip B.] Climate Cent Inc, Palo Alto, CA USA. [Duffy, Philip B.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Pegion, Philip; Schubert, Siegfried] NASA, Goddard Space Flight Ctr, Global Modeling & Assimilat Off, Greenbelt, MD 20771 USA. RP Ferguson, IM (reprint author), Colorado Sch Mines, Dept Geol & Geol Engn, Golden, CO 80401 USA. EM imfergus@mines.edu RI Pegion, Philip/E-5247-2012 NR 70 TC 6 Z9 6 U1 0 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1525-755X EI 1525-7541 J9 J HYDROMETEOROL JI J. Hydrometeorol. PD JUN PY 2010 VL 11 IS 3 BP 754 EP 769 DI 10.1175/2009JHM1132.1 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 618PI UT WOS:000279367700011 ER PT J AU Gourley, JJ Giangrande, SE Hong, Y Flamig, ZL Schuur, T Vrugt, JA AF Gourley, Jonathan J. Giangrande, Scott E. Hong, Yang Flamig, Zachary L. Schuur, Terry Vrugt, Jasper A. TI Impacts of Polarimetric Radar Observations on Hydrologic Simulation SO JOURNAL OF HYDROMETEOROLOGY LA English DT Article ID DUAL-POLARIZATION RADAR; FLASH-FLOOD; HYDROMETEOR CLASSIFICATION; RAINFALL ESTIMATION; UNITED-STATES; FORT-COLLINS; CALIBRATION; PRECIPITATION; WSR-88D; PREDICTION AB Rainfall estimated from the polarimetric prototype of the Weather Surveillance Radar-1988 Doppler [WSR-88D (KOUN)] was evaluated using a dense Micronet rain gauge network for nine events on the Ft. Cobb research watershed in Oklahoma. The operation of KOUN and its upgrade to dual polarization was completed by the National Severe Storms Laboratory. Storm events included an extreme rainfall case from Tropical Storm Erin that had a 100-yr return interval. Comparisons with collocated Micronet rain gauge measurements indicated all six rainfall algorithms that used polarimetric observations had lower root-mean-squared errors and higher Pearson correlation coefficients than the conventional algorithm that used reflectivity factor alone when considering all events combined. The reflectivity based relation R(Z) was the least biased with an event-combined normalized bias of -9%. The bias for R(Z), however, was found to vary significantly from case to case and as a function of rainfall intensity. This variability was attributed to different drop size distributions (DSDs) and the presence of hail. The synthetic polarimetric algorithm R(syn) had a large normalized bias of -31%, but this bias was found to be stationary. To evaluate whether polarimetric radar observations improve discharge simulation, recent advances in Markov Chain Monte Carlo simulation using the Hydrology Laboratory Research Distributed Hydrologic Model (HL-RDHM) were used. This Bayesian approach infers the posterior probability density function of model parameters and output predictions, which allows us to quantify HL-RDHM uncertainty. Hydrologic simulations were compared to observed streamflow and also to simulations forced by rain gauge inputs. The hydrologic evaluation indicated that all polarimetric rainfall estimators outperformed the conventional R(Z) algorithm, but only after their long-term biases were identified and corrected. C1 [Giangrande, Scott E.] McGill Univ, Dept Atmospher & Ocean Sci, Montreal, PQ, Canada. [Hong, Yang] Univ Oklahoma, Dept Civil Engn & Environm Sci, Norman, OK 73019 USA. [Gourley, Jonathan J.; Flamig, Zachary L.; Schuur, Terry] Univ Oklahoma, NOAA, Natl Severe Storms Lab, Norman, OK 73019 USA. [Flamig, Zachary L.; Schuur, Terry] Univ Oklahoma, Cooperat Inst Mesoscale Meteorol Studies, Norman, OK 73019 USA. [Vrugt, Jasper A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Gourley, JJ (reprint author), Natl Weather Ctr, 120 David L Boren Blvd, Norman, OK 73072 USA. EM jj.gourley@noaa.gov RI Hong, Yang/D-5132-2009; Vrugt, Jasper/C-3660-2008; Gourley, Jonathan/C-7929-2016; Giangrande, Scott/I-4089-2016 OI Hong, Yang/0000-0001-8720-242X; Gourley, Jonathan/0000-0001-7363-3755; Giangrande, Scott/0000-0002-8119-8199 FU NOAA/Office of Oceanic and Atmospheric Research under NOAA-University of Oklahoma [NA17RJ1227]; U.S. Department of Commerce; NSSL; University of Oklahoma; McGill University; Los Alamos National Laboratory postdoctoral program FX Funding was provided by NOAA/Office of Oceanic and Atmospheric Research under NOAA-University of Oklahoma Cooperative Agreement NA17RJ1227, U.S. Department of Commerce. Support from NSSL and University of Oklahoma Cooperative Institute for Mesoscale Meteorological Studies personnel who maintain and operate the KOUN WSR-88D polarimetric radar is gratefully acknowledged. The second author would like to acknowledge the support of Isztar Zawadzki and Pavlos Kollias at McGill University. The last author is supported by a J. Robert Oppenheimer Fellowship from the Los Alamos National Laboratory postdoctoral program. Computer resources for the calibration of the model were made available from the University of Oklahoma's Supercomputing Center for Education and Research (OSCER). NR 48 TC 15 Z9 15 U1 1 U2 6 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1525-755X J9 J HYDROMETEOROL JI J. Hydrometeorol. PD JUN PY 2010 VL 11 IS 3 BP 781 EP 796 DI 10.1175/2010JHM1218.1 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 618PI UT WOS:000279367700013 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Mossolov, V Shumeiko, N De Wolf, EA Ochesanu, S Roland, B Van Haevermaet, H Van Mechelen, P Blyweert, S Damgov, J Dimitrov, L Genchev, V Piperov, S Vankov, I Roinishvili, V Borras, K Campbell, A Jung, H Katkov, I Knutsson, A Sen, N Panagiotis, K Panagiotou, A Theodoros, M Aranyi, A Bencze, G Boldizsar, L Horvath, D Vesztergombi, G Bansal, S Beri, SB Jindal, M Kaur, M Kohli, JM Mehta, MZ Nishu, N Saini, LK Singh, A Singh, JB Aziz, T Gurtu, A Maity, M Majumder, D Majumder, G Mazumdar, K Saha, A Sudhakar, K Banerjee, S Dugad, S Mondal, NK Arfaei, H Bakhshiansohi, H Najafabadi, MM Mehdiabadi, SP Penzo, A Bunin, P Finger, M Finger, M Golutvin, I Smirnov, V Vishnevskiy, A Volodko, A Zarubin, A Andreev, Y Kirsanov, M Pashenkov, A Toropin, A Troitsky, S Epshteyn, V Gavrilov, V Ilina, N Kaftanov, V Kossov, M Krokhotin, A Kuleshov, S Oulianov, A Safronov, G Semenov, S Shreyber, I Stolin, V Vlasov, E Zhokin, A Demianov, A Ershov, A Gribushin, A Klyukhin, V Kodolova, O Lokhtin, I Obraztsov, S Petrushanko, S Proskuryakov, A Sarycheva, L Savrin, V Vardanyan, I Dremin, I Kirakosyan, M Konovalova, N Vinogradov, A Krychkine, V Petrov, V Ryutin, R Slabospitsky, S Sobol, A Sytine, A Tourtchanovitch, L Volkov, A Adiguzel, A Bakirci, MN Cerci, S Dumanoglu, I Eskut, E Girgis, S Gurpinar, E Karaman, T Topaksu, AK Kurt, P Onengut, G Ozdemir, K Ozturk, S Polatoz, A Sogut, K Tali, B Topakli, H Uzun, D Aliev, T Deniz, M Guler, AM Ocalan, K Serin, M Sever, R Yildirim, E Zeyrek, M Deliomeroglu, M Gulmez, E Halu, A Isildak, B Kaya, M Kaya, O Ozbek, M Sonmez, N Levchuk, L Sorokin, P Clough, A Hazen, E Heering, AH Heister, A St John, J Lawson, P Lazic, D Rohlf, J Sulak, L Wu, S Avetisyan, A Chou, JP Esen, S Kukartsev, G Landsberg, G Narain, M Nguyen, N Tsang, KV Gary, JW Liu, F Nguyen, H Sturdy, J Winn, D Banerjee, S Bhat, PC Binkley, M Chlebana, F Churin, I Cihangir, S Crawford, M Dagenhart, W Demarteau, M Derylo, G Dykstra, D Eartly, DP Elias, JE Elvira, VD Freeman, J Green, D Hahn, A Hanlon, J Harris, RM Kousouris, K Kunori, S Limon, P Newman-Holmes, C Sharma, S Spalding, WJ Vidal, R Whitmore, J Wu, W Ceron, C Gaultney, V Lebolo, LM Linn, S Markowitz, P Martinez, G Bertoldi, M Gleyzer, SV Haas, J Hagopian, S Hagopian, V Jenkins, M Sekmen, S Baarmand, MM Mermerkaya, H Ralich, R Vodopiyanov, I Garcia-Solis, EJ Akgun, U Albayrak, EA Bilki, B Cankocak, K Clarida, W Duru, F McCliment, E Merlo, JP Mestvirishvili, A Moeller, A Nachtman, J Norbeck, E Onel, Y Ozok, F Schmidt, I Sen, S Yetkin, T Yi, K Grachov, O Murray, M Wood, JS Baden, D Boutemeur, M Eno, SC Ferencek, D Hadley, NJ Kellogg, RG Kirn, M Rossato, K Rumerio, P Santanastasio, F Skuja, A Temple, J Tonjes, MB Ton-War, SC Twedt, E Cole, P Cushman, P Dudero, PR Klapoetke, K Mans, J Cremaldi, LM Godang, R Kroeger, R Rahmat, R Sanders, DA Anastassov, A Ofierzynski, RA Pozdnyakov, A Velasco, M Won, S Karmgard, DJ Ruchti, R Warchol, J Ziegler, J Adam, N Berry, E Gerbaudo, D Halyo, V Hunt, A Jones, J Laird, E Pegna, DL Marlow, D Medvedeva, T Mooney, M Olsen, J Tully, C Werner, JS Zuranski, A Barnes, VE Laasanen, AT Sedov, A Bodek, A Chung, YS de Barbaro, P Garcia-Bellido, A Han, J Harel, A Miner, DC Vishnevskiy, D Zielinski, M Bhatti, A Goulianos, K Yan, M Gurrola, A Kamon, T Sengupta, S Toback, D Weinberger, M Akchurin, N Jeong, C Lee, SW Popescu, S Roh, Y Sill, A Volobouev, I Wigmans, R Yazgan, E AF Chatrchyan, S. Khachatryan, V. Sirunyan, A. M. Mossolov, V. Shumeiko, N. De Wolf, E. A. Ochesanu, S. Roland, B. Van Haevermaet, H. Van Mechelen, P. Blyweert, Stijn Damgov, J. Dimitrov, L. Genchev, V. Piperov, S. Vankov, I. Roinishvili, V. Borras, K. Campbell, A. Jung, H. Katkov, I. Knutsson, A. Sen, N. Panagiotis, K. Panagiotou, A. Theodoros, M. Aranyi, A. Bencze, G. Boldizsar, L. Horvath, D. Vesztergombi, G. Bansal, S. Beri, S. B. Jindal, M. Kaur, M. Kohli, J. M. Mehta, M. Z. Nishu, N. Saini, L. K. Singh, A. Singh, J. B. Aziz, T. Gurtu, A. Maity, M. Majumder, D. Majumder, G. Mazumdar, K. Saha, A. Sudhakar, K. Banerjee, S. Dugad, S. Mondal, N. K. Arfaei, H. Bakhshiansohi, H. Najafabadi, M. Mohammadi Mehdiabadi, S. Paktinat Penzo, A. Bunin, P. Finger, M. Finger, M., Jr. Golutvin, I. Smirnov, V. Vishnevskiy, A. Volodko, A. Zarubin, A. Andreev, Y. Kirsanov, M. Pashenkov, A. Toropin, A. Troitsky, S. Epshteyn, V. Gavrilov, V. Ilina, N. Kaftanov, V. Kossov, M. Krokhotin, A. Kuleshov, S. Oulianov, A. Safronov, G. Semenov, S. Shreyber, I. Stolin, V. Vlasov, E. Zhokin, A. Demianov, A. Ershov, A. Gribushin, A. Klyukhin, V. Kodolova, O. Lokhtin, I. Obraztsov, S. Petrushanko, S. Proskuryakov, A. Sarycheva, L. Savrin, V. Vardanyan, I. Dremin, I. Kirakosyan, M. Konovalova, N. Vinogradov, A. Krychkine, V. Petrov, V. Ryutin, R. Slabospitsky, S. Sobol, A. Sytine, A. Tourtchanovitch, L. Volkov, A. Adiguzel, A. Bakirci, M. N. Cerci, S. Dumanoglu, I. Eskut, E. Girgis, S. Gurpinar, E. Karaman, T. Topaksu, A. Kayis Kurt, P. Onengut, G. Ozdemir, K. Ozturk, S. Polatoz, A. Sogut, K. Tali, B. Topakli, H. Uzun, D. Aliev, T. Deniz, M. Guler, A. M. Ocalan, K. Serin, M. Sever, R. Yildirim, E. Zeyrek, M. Deliomeroglu, M. Gulmez, E. Halu, A. Isildak, B. Kaya, M. Kaya, O. Ozbek, M. Sonmez, N. Levchuk, L. Sorokin, P. Clough, A. Hazen, E. Heering, A. H. Heister, A. St John, J. Lawson, P. Lazic, D. Rohlf, J. Sulak, L. Wu, S. Avetisyan, A. Chou, J. P. Esen, S. Kukartsev, G. Landsberg, G. Narain, M. Nguyen, N. Tsang, K. V. Gary, J. W. Liu, F. Nguyen, H. Sturdy, J. Winn, D. Banerjee, S. Bhat, P. C. Binkley, M. Chlebana, F. Churin, I. Cihangir, S. Crawford, M. Dagenhart, W. Demarteau, M. Derylo, G. Dykstra, D. Eartly, D. P. Elias, J. E. Elvira, V. D. Freeman, J. Green, D. Hahn, A. Hanlon, J. Harris, R. M. Kousouris, K. Kunori, S. Limon, P. Newman-Holmes, C. Sharma, S. Spalding, W. J. Vidal, R. Whitmore, J. Wu, W. Ceron, C. Gaultney, V. Lebolo, L. M. Linn, S. Markowitz, P. Martinez, G. Bertoldi, M. Gleyzer, S. V. Haas, J. Hagopian, S. Hagopian, V. Jenkins, M. Sekmen, S. Baarmand, M. M. Mermerkaya, H. Ralich, R. Vodopiyanov, I. Garcia-Solis, E. J. Akgun, U. Albayrak, E. A. Bilki, B. Cankocak, K. Clarida, W. Duru, F. McCliment, E. Merlo, J. -P. Mestvirishvili, A. Moeller, A. Nachtman, J. Norbeck, E. Onel, Y. Ozok, F. Schmidt, I. Sen, S. Yetkin, T. Yi, K. Grachov, O. Murray, M. Wood, J. S. Baden, D. Boutemeur, M. Eno, S. C. Ferencek, D. Hadley, N. J. Kellogg, R. G. Kirn, M. Rossato, K. Rumerio, P. Santanastasio, F. Skuja, A. Temple, J. Tonjes, M. B. Ton-War, S. C. Twedt, E. Cole, P. Cushman, P. Dudero, P. R. Klapoetke, K. Mans, J. Cremaldi, L. M. Godang, R. Kroeger, R. Rahmat, R. Sanders, D. A. Anastassov, A. Ofierzynski, R. A. Pozdnyakov, A. Velasco, M. Won, S. Karmgard, D. J. Ruchti, R. Warchol, J. Ziegler, J. Adam, N. Berry, E. Gerbaudo, D. Halyo, V. Hunt, A. Jones, J. Laird, E. Pegna, D. Lopes Marlow, D. Medvedeva, T. Mooney, M. Olsen, J. Tully, C. Werner, J. S. Zuranski, A. Barnes, V. E. Laasanen, A. T. Sedov, A. Bodek, A. Chung, Y. S. de Barbaro, P. Garcia-Bellido, A. Han, J. Harel, A. Miner, D. C. Vishnevskiy, D. Zielinski, M. Bhatti, A. Goulianos, K. Yan, M. Gurrola, A. Kamon, T. Sengupta, S. Toback, D. Weinberger, M. Akchurin, N. Jeong, C. Lee, S. W. Popescu, S. Roh, Y. Sill, A. Volobouev, I. Wigmans, R. Yazgan, E. CA CMS HCAL Collaboration TI Study of various photomultiplier tubes with muon beams and Cerenkov light produced in electron showers SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Cherenkov detectors; Calorimeters; Photon detectors for UV, visible and IR photons (vacuum) (photomultipliers, HPDs, others); Cherenkov and transition radiation ID CMS-HF; CALORIMETER; DESIGN AB The PMTs of the CMS Hadron Forward calorimeter were found to generate a large size signal when their windows were traversed by energetic charged particles. This signal, which is due to. Cerenkov light production at the PMT window, could interfere with the calorimeter signal and mislead the measurements. In order to find a viable solution to this problem, the response of four different types of PMTs to muons traversing their windows at different orientations is measured at the H2 beam-line at CERN. Certain kinds of PMTs with thinner windows show significantly lower response to direct muon incidence. For the four anode PMT, a simple and powerful algorithm to identify such events and recover the PMT signal using the signals of the quadrants without window hits is also presented. For the measurement of PMT responses to. Cerenkov light, the Hadron Forward calorimeter signal was mimicked by two different setups in electron beams and the PMT performances were compared with each other. Superior performance of particular PMTs was observed. C1 [Akgun, U.; Albayrak, E. A.; Bilki, B.; Cankocak, K.; Clarida, W.; Duru, F.; McCliment, E.; Merlo, J. -P.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Norbeck, E.; Onel, Y.; Ozok, F.; Schmidt, I.; Sen, S.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA 52242 USA. [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Mossolov, V.; Shumeiko, N.] Natl Ctr Particle & High Energy Phys, Minsk, Byelarus. [De Wolf, E. A.; Ochesanu, S.; Roland, B.; Van Haevermaet, H.; Van Mechelen, P.] Univ Antwerp, B-2020 Antwerp, Belgium. [Blyweert, Stijn] Vrije Univ Brussel, B-1050 Brussels, Belgium. [Damgov, J.; Dimitrov, L.; Genchev, V.; Piperov, S.; Vankov, I.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Roinishvili, V.] Georgian Acad Sci, E Andronikashvili Inst Phys, GE-380060 Tbilisi, Rep of Georgia. [Borras, K.; Campbell, A.; Jung, H.; Katkov, I.; Knutsson, A.; Sen, N.] DESY, Hamburg, Germany. [Panagiotis, K.; Panagiotou, A.; Theodoros, M.] Univ Athens, Athens, Greece. [Aranyi, A.; Bencze, G.; Boldizsar, L.; Horvath, D.; Vesztergombi, G.] KFKI Res Inst Particle & Nucl Phys, Budapest, Hungary. [Bansal, S.; Beri, S. B.; Jindal, M.; Kaur, M.; Kohli, J. M.; Mehta, M. Z.; Nishu, N.; Saini, L. K.; Singh, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Aziz, T.; Gurtu, A.; Maity, M.; Majumder, D.; Majumder, G.; Mazumdar, K.; Saha, A.; Sudhakar, K.] Tata Inst Fundamental Res EHEP, Mumbai, Maharashtra, India. [Banerjee, S.; Dugad, S.; Mondal, N. K.] Tata Inst Fundamental Res HECR, Bombay, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Najafabadi, M. Mohammadi; Mehdiabadi, S. Paktinat] Inst Studies Theoret Phys & Math IPM, Tehran, Iran. [Penzo, A.] Univ Trieste, INFN Sez Trieste, Trieste, Italy. [Bunin, P.; Finger, M.; Finger, M., Jr.; Golutvin, I.; Smirnov, V.; Vishnevskiy, A.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Andreev, Y.; Kirsanov, M.; Pashenkov, A.; Toropin, A.; Troitsky, S.] Russian Acad Sci, Inst Nucl Res, Moscow, Russia. [Epshteyn, V.; Gavrilov, V.; Ilina, N.; Kaftanov, V.; Kossov, M.; Krokhotin, A.; Kuleshov, S.; Oulianov, A.; Safronov, G.; Semenov, S.; Shreyber, I.; Stolin, V.; Vlasov, E.; Zhokin, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Demianov, A.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Obraztsov, S.; Petrushanko, S.; Proskuryakov, A.; Sarycheva, L.; Savrin, V.; Vardanyan, I.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Dremin, I.; Kirakosyan, M.; Konovalova, N.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Krychkine, V.; Petrov, V.; Ryutin, R.; Slabospitsky, S.; Sobol, A.; Sytine, A.; Tourtchanovitch, L.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gurpinar, E.; Karaman, T.; Topaksu, A. Kayis; Kurt, P.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Tali, B.; Topakli, H.; Uzun, D.] Cukurova Univ, Adana, Turkey. [Aliev, T.; Deniz, M.; Guler, A. M.; Ocalan, K.; Serin, M.; Sever, R.; Yildirim, E.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. 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M.; Godang, R.; Kroeger, R.; Rahmat, R.; Sanders, D. A.] Univ Mississippi, University, MS 38677 USA. [Anastassov, A.; Ofierzynski, R. A.; Pozdnyakov, A.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Karmgard, D. J.; Ruchti, R.; Warchol, J.; Ziegler, J.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Adam, N.; Berry, E.; Gerbaudo, D.; Halyo, V.; Hunt, A.; Jones, J.; Laird, E.; Pegna, D. Lopes; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Tully, C.; Werner, J. S.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Barnes, V. E.; Laasanen, A. T.; Sedov, A.] Purdue Univ, W Lafayette, IN 47907 USA. [Bodek, A.; Chung, Y. S.; de Barbaro, P.; Garcia-Bellido, A.; Han, J.; Harel, A.; Miner, D. C.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Goulianos, K.; Yan, M.] Rockefeller Univ, New York, NY 10021 USA. [Gurrola, A.; Kamon, T.; Sengupta, S.; Toback, D.; Weinberger, M.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Jeong, C.; Lee, S. W.; Popescu, S.; Roh, Y.; Sill, A.; Volobouev, I.; Wigmans, R.; Yazgan, E.] Texas Tech Univ, Lubbock, TX 79409 USA. [Panagiotou, A.; Bencze, G.; Kossov, M.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Horvath, D.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Sogut, K.] Mersin Univ, Mersin, Turkey. [Kaya, M.; Kaya, O.] Kafkas Univ, Kars, Turkey. [Sonmez, N.] Ege Univ, Izmir, Turkey. [Cankocak, K.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Boutemeur, M.] Univ Savoie, Polytech Annecy, Le Bourget Du Lac, France. RP Bilki, B (reprint author), Univ Iowa, Iowa City, IA 52242 USA. EM Burak.Bilki@cern.ch RI Gribushin, Andrei/J-4225-2012; Sen, Sercan/C-6473-2014; Dremin, Igor/K-8053-2015; Vinogradov, Alexander/M-5331-2015; Gulmez, Erhan/P-9518-2015; Ozdemir, Kadri/P-8058-2014; Konovalova, Nina/D-3882-2014; Kirakosyan, Martin/N-2701-2015; Yazgan, Efe/C-4521-2014; Gerbaudo, Davide/J-4536-2012; Horvath, Dezso/A-4009-2011; Lokhtin, Igor/D-7004-2012; Kodolova, Olga/D-7158-2012; Demianov, Andrei/E-4565-2012; Klyukhin, Vyacheslav/D-6850-2012; Petrushanko, Sergey/D-6880-2012; Proskuryakov, Alexander/J-6166-2012; Vardanyan, Irina/K-7981-2012; Kuleshov, Sergey/D-9940-2013; Troitsky, Sergey/C-1377-2014; Marlow, Daniel/C-9132-2014; OI Sen, Sercan/0000-0001-7325-1087; Gulmez, Erhan/0000-0002-6353-518X; Ozdemir, Kadri/0000-0002-0103-1488; Yazgan, Efe/0000-0001-5732-7950; Gerbaudo, Davide/0000-0002-4463-0878; Landsberg, Greg/0000-0002-4184-9380; Toback, David/0000-0003-3457-4144; Klyukhin, Vyacheslav/0000-0002-8577-6531; Kuleshov, Sergey/0000-0002-3065-326X; Troitsky, Sergey/0000-0001-6917-6600; Mertzimekis, Theo/0000-0001-9191-7903 FU U.S. Department of Energy; U.S. National Science Foundation; RMKI-KFKI (Hungary); Russian Ministry of Education and Science; Russian State Committee for Atomic Energy; Scientific and Technical Research Council of Turkey (TUBITAK); Turkish Atomic Energy Agency (TAEK); Bogazici University FX This project was carried out with financial support from U.S. Department of Energy, U.S. National Science Foundation, RMKI-KFKI (Hungary), Russian Ministry of Education and Science, Russian State Committee for Atomic Energy, Scientific and Technical Research Council of Turkey (TUBITAK), Turkish Atomic Energy Agency (TAEK) and Bogazici University Research Fund. NR 9 TC 3 Z9 3 U1 1 U2 21 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JUN PY 2010 VL 5 AR P06002 DI 10.1088/1748-0221/5/06/P06002 PG 20 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 633SU UT WOS:000280526600006 ER PT J AU Cooper, WE AF Cooper, W. E. TI The design of stable, low-mass support and cooling structures SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT Workshop on Intelligent Trackers CY FEB 03-05, 2010 CL Lawrence Berkeley Natl Lab, Berkeley, CA HO Lawrence Berkeley Natl Lab DE Particle tracking detectors; Detector design and construction technologies and materials; Detector grounding; Detector cooling and thermo-stabilization AB Designs of stable, low-mass support and cooling structures for intelligent trackers should take into account the additional power dissipation associated with local trigger generation, high speed communications, and power delivery, as well as the spatial distributions of heat sources. For many applications, a modular design can alleviate cooling and support issues and allow parallel fabrication at multiple locations. A proposed design for CMS phase 2 upgrade track trigger formation will be used to illustrate the extent to which design requirements are specific to intelligent tracking, ways in which those design requirements might be met, and implications for local tracker geometry, material selection, structural stability, and the material budget. C1 Fermilab Natl Accelerator Lab, Batavia, IL USA. RP Cooper, WE (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL USA. EM Cooper@fnal.go NR 1 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JUN PY 2010 VL 5 AR C06003 DI 10.1088/1748-0221/5/06/C06003 PG 7 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 633SU UT WOS:000280526600009 ER PT J AU Zylstra, AB Constantin, C Everson, ET Schaeffer, D Kugland, NL Pribyl, P Niemann, C AF Zylstra, A. B. Constantin, C. Everson, E. T. Schaeffer, D. Kugland, N. L. Pribyl, P. Niemann, C. TI Ion velocity distribution measurements in a magnetized laser plasma expansion SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Plasma diagnostics - probes; Plasma diagnostics - charged-particle spectroscopy ID COLLISIONLESS SHOCK; ACCELERATION; ASTROPHYSICS; WAVELENGTHS; ABLATION; DESIGN AB Langmuir probes are used to study the expansion of a laser plasma into a large (17 m long x 0.6 m diameter) ambient magnetized cylindrical plasma. The expansion is either perpendicular or at 45 degrees to the 300-600 G axial background field. One probe geometry allows data collection close to the ablation surface, inside a diamagnetic bubble formed during the laser plasma expansion. We measure expansion velocities of this diamagnetic cavity and the bulk laser plasma. Additionally, we detect fast ions along the axis of the ambient plasma column when the laser plasma expansion is directed at 45 degrees to the background field. We obtain the fast ion velocity distribution by comparing the measured ion gyroradii to those predicted by Monte Carlo simulations of the ion trajectories in an external magnetic field. Experimental measurement of fast ion velocity distributions can help tune the experimental parameters that are required to drive collisionless shock waves through a laboratory plasma. C1 [Zylstra, A. B.; Constantin, C.; Everson, E. T.; Schaeffer, D.; Kugland, N. L.; Pribyl, P.; Niemann, C.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Zylstra, A. B.] Pomona Coll, Claremont, CA 91711 USA. [Kugland, N. L.; Niemann, C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Zylstra, AB (reprint author), MIT, 77 Massachusetts Ave,NW 17-256, Cambridge, MA 02139 USA. EM zylstra@mit.edu NR 24 TC 3 Z9 3 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JUN PY 2010 VL 5 AR P06004 DI 10.1088/1748-0221/5/06/P06004 PG 13 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 633SU UT WOS:000280526600004 ER PT J AU Bielicki, JK Zhang, HY Cortez, Y Zheng, Y Narayanaswami, V Patel, A Johansson, J Azhar, S AF Bielicki, John K. Zhang, Haiyan Cortez, Yuan Zheng, Ying Narayanaswami, Vasanthy Patel, Arti Johansson, Jan Azhar, Salman TI A new HDL mimetic peptide that stimulates cellular cholesterol efflux with high efficiency greatly reduces atherosclerosis in mice SO JOURNAL OF LIPID RESEARCH LA English DT Article DE reverse cholesterol transport; macrophages; amphipathic alpha-helix; high density lipoprotein ID APOLIPOPROTEIN-A-I; HIGH-DENSITY-LIPOPROTEINS; E-DEFICIENT MICE; E-NULL MICE; APOA-I; CORONARY ATHEROSCLEROSIS; AMPHIPATHIC PEPTIDES; LIPID-BINDING; AMINO-ACIDS; REVERSE AB Here, we report the creation of a single-helix peptide (ATI-5261) that stimulates cellular cholesterol efflux with K m molar efficiency approximating native apolipoproteins. Anti-atherosclerosis activity of ATI-5261 was evaluated in LDLR(-/-) and apolipoprotein (apo)E(-/-) mice similar to 5-7 months of age, following 13-18 weeks on a high-fat Western diet (HFWD). Treatment of fat-fed LDLR(-/-) mice with daily intraperitoneal injections of ATI-5261 (30 mg/kg) for 6 weeks reduced atherosclerosis by 30%, as judged by lesion area covering the aorta (7.9 +/- 2 vs. 11.3 +/- 2.5% control, P = 0.011) and lipid-content of aortic sinus plaque (25 +/- 5.8 vs. 33 +/- 4.9% control, P = 0.014). In apoE(-/-) mice, the peptide administered 30 mg/kg ip on alternate days for 6 weeks reduced atherosclerosis by similar to 45% (lesion area = 15 +/- 7 vs. 25 +/- 8% control, P = 0.00016; plaque lipid-content = 20 +/- 6 vs. 32 +/- 8% control, P < 0.0001). Similar reductions in atherosclerosis were achieved using ATI-5261: POPC complexes. Single intraperitoneal injection of ATI-5261 increased reverse cholesterol transport from macrophage foam-cells to feces over 24-48 h. In summary, relatively short-term treatment of mice with the potent cholesterol efflux peptide ATI-5261 reduced substantial atherosclerosis. This was achieved using an L-amino acid peptide, in the presence of severe hypercholesterolemia/HFWD, and did not require daily injections or formulation with phospholipids when administered via intraperitoneal injection.-Bielicki, J. K., H. Zhang, Y. Cortez, Y. Zheng, V. Narayanaswami, A. Patel, J. Johansson, and S. Azhar. A new HDL mimetic peptide that stimulates cellular cholesterol efflux with high efficiency greatly reduces atherosclerosis in mice. J. Lipid Res. 2010. 51: 1496-1503. C1 [Bielicki, John K.; Zheng, Ying] Univ Calif Berkeley, Donner Lab, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhang, Haiyan; Cortez, Yuan; Azhar, Salman] Stanford Univ, Sch Med, GRECC, Vet Adm Palo Alto Hlth Care Syst, Palo Alto, CA 94304 USA. [Narayanaswami, Vasanthy] Childrens Hosp Oakland, Res Inst, Oakland, CA 94609 USA. [Patel, Arti] Calif State Univ Long Beach, Dept Chem & Biochem, Long Beach, CA 90840 USA. [Johansson, Jan] Artery Therapeut Inc, Danville, CA 94526 USA. RP Bielicki, JK (reprint author), Univ Calif Berkeley, Donner Lab, Lawrence Berkeley Natl Lab, MS1-267, Berkeley, CA 94720 USA. EM jkbielicki@lbl.gov FU State of California [17RT-0082, 17RT-0165]; American Heart Association [0755137Y]; National Institutes of Health [R21-HL085791, R01-HL033881, -HL092473]; Merit Review Funding, Office of Research and Development, Department of Veterans Affairs; Artery Therapeutics, Inc. (ATI); United States Department of Energy [DE-AC03-7600098] FX This work was supported by grant 17RT-0082 (J. K. B.) and 17RT-0165 (V. N.) from the Tobacco-Related Disease Research Program of the State of California; American Heart Association 0755137Y (V. N.), National Institutes of Health grants R21-HL085791 (J. K. B.), and R01-HL033881 and -HL092473 (S. A.) and Merit Review Funding, Office of Research and Development, Department of Veterans Affairs. Partial funding (J. K. B. and S. A.) provided by Artery Therapeutics, Inc. (ATI). The work was conducted, in part, at Lawrence Berkeley National Laboratory through the United States Department of Energy under contract DE-AC03-7600098 with the University of California. Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the National Institutes of Health or other granting agencies. NR 43 TC 64 Z9 68 U1 1 U2 13 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0022-2275 J9 J LIPID RES JI J. Lipid Res. PD JUN PY 2010 VL 51 IS 6 BP 1496 EP 1503 DI 10.1194/jlr.M003665 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 594UP UT WOS:000277564700025 PM 20075422 ER PT J AU Yap, MC Kostiuk, MA Martin, DDO Perinpanayagam, MA Hak, PG Siddam, A Majjigapu, JR Rajaiah, G Keller, BO Prescher, JA Wu, P Bertozzi, CR Falck, JR Berthiaume, LG AF Yap, Megan C. Kostiuk, Morris A. Martin, Dale D. O. Perinpanayagam, Maneka A. Hak, Pieter G. Siddam, Anjaiah Majjigapu, Janaki R. Rajaiah, Gurram Keller, Bernd O. Prescher, Jennifer A. Wu, Peng Bertozzi, Carolyn R. Falck, John R. Berthiaume, Luc G. TI Rapid and selective detection of fatty acylated proteins using omega-alkynyl-fatty acids and click chemistry SO JOURNAL OF LIPID RESEARCH LA English DT Article DE myristoylation; palmitoylation; mitochondria; membranes; enzymes ID POSTTRANSLATIONAL N-MYRISTOYLATION; SIGNALING PROTEINS; PALMITOYLATED PROTEINS; MAMMALIAN-CELLS; IN-VIVO; IDENTIFICATION; MYRISTOYLTRANSFERASE; CYCLOADDITION; MITOCHONDRIA; DISCOVERY AB Progress in understanding the biology of protein fatty acylation has been impeded by the lack of rapid direct detection and identification methods. We first report that a synthetic omega-alkynyl-palmitate analog can be readily and specifically incorporated into GAPDH or mitochondrial 3-hydroxyl-3-methylglutaryl-CoA synthase in vitro and reacted with an azido-biotin probe or the fluorogenic probe 3-azido-7-hydroxycoumarin using click chemistry for rapid detection by Western blotting or flat bed fluorescence scanning. The acylated cysteine residues were confirmed by MS. Second, omega-alkynyl-palmitate is preferentially incorporated into transiently expressed H- or N-Ras proteins (but not non-palmitoylated K-Ras), compared with omega-alkynyl-myristate or omega-alkynyl-stearate, via an alkali sensitive thioester bond. Third, omega-alkynyl-myristate is specifically incorporated into endogenous co- and posttranslationally myristoylated proteins. The competitive inhibitors 2-bromopalmitate and 2-hydroxymyristate prevented incorporation of omega-alkynyl-palmitate and omega-alkynyl-myristate into palmitoylated and myristoylated proteins, respectively. Labeling cells with omega-alkynyl-palmitate does not affect membrane association of N-Ras. Furthermore, the palmitoylation of endogenous proteins including H- and N-Ras could be easily detected using omega-alkynyl-palmitate as label in cultured HeLa, Jurkat, and COS-7 cells, and, promisingly, in mice. The omega-alkynyl-myristate and -palmitate analogs used with click chemistry and azido-probes will be invaluable to study protein acylation in vitro, in cells, and in vivo.-Yap, M. C., M. A. Kostiuk, D. D. O. Martin, M. A. Perinpanayagam, P. G. Hak, A. Siddam, J. R. Majjigapu, G. Rajaiah, B. O. Keller, J. A. Prescher, P. Wu, C. R. Bertozzi, J. R. Falck, and L. G. Berthiaume. Rapid and selective detection of fatty acylated proteins using omega-alkynyl-fatty acids and click chemistry. J. Lipid Res. 2010. 51: 1566-1580. C1 [Yap, Megan C.; Kostiuk, Morris A.; Martin, Dale D. O.; Perinpanayagam, Maneka A.; Hak, Pieter G.; Berthiaume, Luc G.] Univ Alberta, Fac Med & Dent, Dept Cell Biol, Edmonton, AB T6G 2H7, Canada. [Siddam, Anjaiah; Majjigapu, Janaki R.; Rajaiah, Gurram; Falck, John R.] Univ Texas SW, Dept Biochem, Dallas, TX 75390 USA. [Keller, Bernd O.] Univ British Columbia, Child & Family Res Inst, Dept Pathol & Lab Med, Vancouver, BC V5Z 4H4, Canada. [Prescher, Jennifer A.; Wu, Peng; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Prescher, Jennifer A.; Wu, Peng; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Mol Cell Biol, Berkeley, CA 94720 USA. [Prescher, Jennifer A.; Wu, Peng; Bertozzi, Carolyn R.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Berthiaume, LG (reprint author), Univ Alberta, Fac Med & Dent, Dept Cell Biol, Edmonton, AB T6G 2H7, Canada. EM Luc.Berthiaume@ualberta.ca RI Martin , Dale /L-6351-2015; OI Keller, Bernd/0000-0002-6154-5173; Berthiaume, Luc/0000-0003-0926-059X FU CIHR [MOP 81248]; AHFMR; Alberta Cancer Research Institute; University of British Columbia's Child & Family Research Institute; Canadian Foundation for Innovation; Michael Smith Foundation for Health Research; National Institutes of Health [GM-58867, GM-31278]; Robert A. Welch Foundation FX This work was funded by CIHR grant MOP 81248 to L.G.B. M.A.K. held a Graduate Scholarship. D.D.O.M. holds a Canada Graduate Scholarships Doctoral Award from CIHR and a Medical Research Studentship Incentive Award from AHFMR. M.A.P. holds an Alberta Cancer Research Institute graduate studentship. B.O.K. received a University of British Columbia's Child & Family Research Institute Establishment Award. Mass spectrometric equipment was funded by the Canadian Foundation for Innovation and the Michael Smith Foundation for Health Research. C.R.B. received funding from the National Institutes of Health (GM-58867) and J.R.F. received funding from the Robert A. Welch Foundation and the National Institutes of Health (GM-31278). Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the National Institutes of Health or other granting agencies. NR 51 TC 55 Z9 55 U1 0 U2 22 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0022-2275 J9 J LIPID RES JI J. Lipid Res. PD JUN PY 2010 VL 51 IS 6 BP 1566 EP 1580 DI 10.1194/jlr.D002790 PG 15 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 594UP UT WOS:000277564700033 PM 20028662 ER PT J AU Blick, T Hugo, H Widodo, E Waltham, M Pinto, C Mani, SA Weinberg, RA Neve, RM Lenburg, ME Thompson, EW AF Blick, Tony Hugo, Honor Widodo, Edwin Waltham, Mark Pinto, Cletus Mani, Sendurai A. Weinberg, Robert A. Neve, Richard M. Lenburg, Marc E. Thompson, Erik W. TI Epithelial Mesenchymal Transition Traits in Human Breast Cancer Cell Lines Parallel the CD44(hi/)CD24(lo/-) Stem Cell Phenotype in Human Breast Cancer SO JOURNAL OF MAMMARY GLAND BIOLOGY AND NEOPLASIA LA English DT Article DE EMT; Basal B; Mesenchymal; Breast cancer; Breast cancer stem cell; CD24 ID DISSEMINATED TUMOR-CELLS; BASEMENT-MEMBRANE INVASIVENESS; CYTOKERATIN-POSITIVE CELLS; E-CADHERIN EXPRESSION; BONE-MARROW; CARCINOMA CELLS; TGF-BETA; EPITHELIOMESENCHYMAL TRANSFORMATION; ADHESION MOLECULE; PROGENITOR CELLS AB We review here the recently emerging relationship between epithelial-mesenchymal transition (EMT) and breast cancer stem cells (BCSC), and provide analyses of published data on human breast cancer cell lines, supporting their utility as a model for the EMT/BCSC state. Genome-wide transcriptional profiling of these cell lines has confirmed the existence of a subgroup with mesenchymal tendencies and enhanced invasive properties ('Basal B'/Mesenchymal), distinct from subgroups with either predominantly luminal ('Luminal') or mixed basal/luminal ('Basal A') features (Neve et al. Cancer Cell, 2006). A literature-derived EMT gene signature has shown specific enrichment within the Basal B subgroup of cell lines, consistent with their over-expression of various EMT transcriptional drivers. Basal B cell lines are found to resemble BCSC, being CD44(high)CD24(low). Moreover, gene products that distinguish Basal B from Basal A and Luminal cell lines (Basal B Discriminators) showed close concordance with those that define BCSC isolated from clinical material, as reported by Shipitsin et al. (Cancer Cell, 2007). CD24 mRNA levels varied across Basal B cell lines, correlating with other Basal B Discriminators. Many gene products correlating with CD24 status in Basal B cell lines were also differentially expressed in isolated BCSC. These findings confirm and extend the importance of the cellular product of the EMT with Basal B cell lines, and illustrate the value of analysing these cell lines for new leads that may improve breast cancer outcomes. Gene products specific to Basal B cell lines may serve as tools for the detection, quantification, and analysis of BCSC/EMT attributes. C1 [Blick, Tony; Hugo, Honor; Waltham, Mark; Pinto, Cletus; Thompson, Erik W.] St Vincents Inst, Invas & Metastasis Unit, Melbourne, Vic 3065, Australia. [Widodo, Edwin; Waltham, Mark; Pinto, Cletus; Thompson, Erik W.] Univ Melbourne, Dept Surg, St Vincents Hosp, Fitzroy, Vic 3065, Australia. [Widodo, Edwin] Brawijaya Univ, Fac Med, E Java 65141, Indonesia. [Mani, Sendurai A.] Univ Texas MD Anderson Canc Ctr, Dept Mol Pathol, Unit 951, Houston, TX 77054 USA. [Weinberg, Robert A.] MIT, Whitehead Inst Biomed Res, Cambridge Ctr 9, Cambridge, MA 02139 USA. [Weinberg, Robert A.] MIT, Dept Biol, Cambridge, MA 02139 USA. [Neve, Richard M.] Genentech Inc, Dept Mol Biol, San Francisco, CA 94080 USA. [Neve, Richard M.; Lenburg, Marc E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94270 USA. [Lenburg, Marc E.] Boston Univ, Sch Med, Dept Pathol & Lab Med, Boston, MA 02118 USA. RP Thompson, EW (reprint author), St Vincents Inst, Invas & Metastasis Unit, 9 Princes St, Melbourne, Vic 3065, Australia. EM rik@svi.edu.au RI Lenburg, Marc/B-8027-2008; Thompson, Erik/A-1425-2009; Mani, Sendurai/A-7244-2009 OI Lenburg, Marc/0000-0002-5760-4708; Thompson, Erik/0000-0002-9723-4924; Mani, Sendurai/0000-0002-5918-4276 FU U.S. Army Medical Research and Materiel Command [BC0213201, BC084667]; Victorian Breast Cancer Research Consortium; Cancer Council Victoria [509295]; National Breast Cancer Foundation (Australia); AUS; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC03-76SF00098]; California Breast Cancer Research Program (CBCRP) [7FB-0027]; V foundations; M. D. Anderson Research Trust; Breast Cancer Research Foundation FX The research effort associated with this article was funded in part by the U.S. Army Medical Research and Materiel Command (BC0213201 and BC084667), the Victorian Breast Cancer Research Consortium, The Cancer Council Victoria (#509295) and the National Breast Cancer Foundation (Australia). TB and EWT were supported in part by the Victorian Breast Cancer Research Consortium. HH is supported by a fellowship from the National Breast Cancer Foundation, Australia. EW is the recipient of an AUS Aid Scholarship. Parts of this work were also supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (Contract DE-AC03-76SF00098) and the California Breast Cancer Research Program (CBCRP) grant #7FB-0027. SAM lab is supported by V foundations V Scholar award and M. D. Anderson Research Trust Fellow award. RAW is supported in part by the Breast Cancer Research Foundation. The authors are grateful to Dr. Kornelia Polyak for providing prepublication data from the Shipitsin et al. study (2007) for comparative analysis. NR 135 TC 149 Z9 153 U1 2 U2 26 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1083-3021 J9 J MAMMARY GLAND BIOL JI J. Mammary Gland Biol. Neoplasia PD JUN PY 2010 VL 15 IS 2 BP 235 EP 252 DI 10.1007/s10911-010-9175-z PG 18 WC Oncology; Endocrinology & Metabolism; Physiology SC Oncology; Endocrinology & Metabolism; Physiology GA 611QR UT WOS:000278835900010 PM 20521089 ER PT J AU Chandross, M Lorenz, CD Stevens, MJ Grest, GS AF Chandross, Michael Lorenz, Christian D. Stevens, Mark J. Grest, Gary S. TI Probe-Tip Induced Damage in Compliant Substrates SO JOURNAL OF MANUFACTURING SCIENCE AND ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; NANOTRIBOLOGY; LITHOGRAPHY; SILICON; OXIDE AB Nanofabrication using arrays of modified atomic force microscopy (AFM) tips can drastically reduce feature sizes and increase data storage densities. Additionally, AFM experiments are valuable tools for characterizing the tribological properties of surfaces. In order to maximize the potential of nanofabrication techniques, it is necessary to understand fully the interactions between AFM tips and substrates, particularly when the latter is compliant and more damage-prone. To address this issue, we have carried out extensive molecular dynamics simulations of the nanotribological properties of self-assembled alkylsilane monolayers (SAMs) on amorphous silica with a realistic model of an AFM tip. Our simulations demonstrate that for fully physisorbed SAMs, even low load contacts can damage the SAM and cause material transfer to the probe tip. This effect, which is commonly ignored, can have a strong effect on the interpretation of experimental measurements. Partial chemisorption of the SAM lowers, but does not remove the possibility of damage. [DOI: 10.1115/1.4001660] C1 [Chandross, Michael; Stevens, Mark J.; Grest, Gary S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Lorenz, Christian D.] Kings Coll London, Dept Mech Engn, Mat Res Grp, London WC2R 2LS, England. RP Chandross, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Lorenz, Christian/A-6996-2017 OI Lorenz, Christian/0000-0003-1028-4804 FU United States Department of Energy's National Nuclear Security Administration FX Sandia is 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 No. DE-AC04-94AL85000. NR 17 TC 9 Z9 9 U1 0 U2 11 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1087-1357 J9 J MANUF SCI E-T ASME JI J. Manuf. Sci. Eng.-Trans. ASME PD JUN PY 2010 VL 132 IS 3 AR 030916 DI 10.1115/1.4001660 PG 4 WC Engineering, Manufacturing; Engineering, Mechanical SC Engineering GA 612HJ UT WOS:000278887100016 ER PT J AU Lewis, JS Gittard, SD Narayan, RJ Berry, CJ Brigmon, RL Ramamurti, R Singh, RN AF Lewis, J. S. Gittard, S. D. Narayan, R. J. Berry, C. J. Brigmon, R. L. Ramamurti, R. Singh, R. N. TI Assessment of Microbial Biofilm Growth on Nanocrystalline Diamond in a Continuous Perfusion Environment SO JOURNAL OF MANUFACTURING SCIENCE AND ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE nanocrystalline diamond; biofilm; chemical vapor deposition; thin films ID PSEUDOMONAS-FLUORESCENS; BACTERIAL BIOFILMS; ESCHERICHIA-COLI; AERUGINOSA; RESISTANCE; SURFACE; AGENTS; SUSCEPTIBILITY; SPECTROSCOPY; ATTACHMENT AB A major concern with medical and dental biomaterials is colonization of these materials with microbial biofilms. One material processed using chemical vapor deposition and other conventional top-down nanomanufacturing technologies that has recently been considered for use in preventing growth of microorganisms is the nanocrystalline diamond. Nanocrystalline diamond coatings have been evaluated for use as coatings on medical implants (e. g., hip prostheses) and surgical tools due to their low coefficient of friction, high corrosion resistance, high hardness, and high wear resistance. In this study, the microstructural properties and microorganism interaction behavior of nanocrystalline diamond coatings were examined. A device for examining microbial biofilms known as a CDC biofilm reactor was used to examine the interaction between a fluorescent microorganism, Pseudomonas fluorescens, and nanocrystalline diamond coatings in a continuous perfusion environment. Biofilm formation was evident on the nanocrystalline diamond surface after 24 h. No correlation between grain size or morphology and cell density was observed; large variations in P. fluorescens growth on the coatings were observed, even for the samples with similar grain sizes and morphologies. The results of this study suggest that nanocrystalline diamond coatings do not prevent Pseudomonas fluorescens biofilm development in a continuous perfusion environment. Additional treatment of the nanocrystalline diamond coatings with antimicrobial and/or antifouling agents would be necessary to prevent formation of microbial biofilms. The development of novel continuous flow technologies for evaluating the growth of microbial biofilms on biomaterials will provide a better understanding of biomaterial-microorganism interaction and will enable the creation of enhanced antimicrobial biomaterials. [DOI: 10.1115/1.4001583] C1 [Lewis, J. S.; Gittard, S. D.; Narayan, R. J.] Univ N Carolina, Joint Dept Biomed Engn, Chapel Hill, NC 27599 USA. [Lewis, J. S.; Gittard, S. D.; Narayan, R. J.] N Carolina State Univ, Chapel Hill, NC 27599 USA. [Berry, C. J.; Brigmon, R. L.] Savannah River Natl Lab, Environm Biotechnol Sect, Aiken, SC 29808 USA. [Ramamurti, R.; Singh, R. N.] Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. RP Narayan, RJ (reprint author), Univ N Carolina, Joint Dept Biomed Engn, 152 MacNider Hall,Campus Box 7575, Chapel Hill, NC 27599 USA. EM roger_narayan@unc.edu RI Lewis, Jamal /B-1734-2013; Narayan, Roger/J-2789-2013 OI Narayan, Roger/0000-0002-4876-9869 FU U.S. Department of Energy [DE-AC09-08SR22470] FX This document was prepared in conjunction with work accomplished under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy. NR 35 TC 0 Z9 0 U1 1 U2 16 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1087-1357 J9 J MANUF SCI E-T ASME JI J. Manuf. Sci. Eng.-Trans. ASME PD JUN PY 2010 VL 132 IS 3 AR 030919 DI 10.1115/1.4001583 PG 7 WC Engineering, Manufacturing; Engineering, Mechanical SC Engineering GA 612HJ UT WOS:000278887100019 ER PT J AU Edwards, PD Sanders, DG Ramulu, M Grant, G Trapp, T Comley, P AF Edwards, Paul D. Sanders, Daniel G. Ramulu, M. Grant, Glenn Trapp, Tim Comley, Peter TI Thinning Behavior Simulations in Superplastic Forming of Friction Stir Processed Titanium 6Al-4V SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE ABAQUS; finite element analysis; Friction Stir Processing; Friction Stir Welding; simulation; Superplastic Forming ID WELDS AB A study was undertaken to simulate the thinning behavior of titanium 6Al-4V alloy sheet during Superplastic Forming and to evaluate the feasibility of controlling thinning in areas of interest with Friction Stir Processing (FSP) of the material. The commercially available Finite Element Analysis software ABAQUS was used to execute these simulations. Material properties of the parent sheet and the Friction Stir Processed regions input into the models were determined experimentally by elevated temperature tensile testing. The results of these simulations were compared to experimental test results via Superplastically Forming representative aerospace parts and analytical computations for validation. It was found that numerical simulations can be used to predict the thin-out characteristics of superplastically formed titanium parts and the thin-out can be controlled in desired areas by FSP, locally, prior to forming. C1 [Edwards, Paul D.; Sanders, Daniel G.; Ramulu, M.] Univ Washington, Seattle, WA 98195 USA. [Edwards, Paul D.; Sanders, Daniel G.; Comley, Peter] Boeing Co, Seattle, WA 98124 USA. [Grant, Glenn] Pacific NW Natl Lab, Richland, WA 99352 USA. [Trapp, Tim] Edison Welding Inst, Columbus, OH 43212 USA. RP Sanders, DG (reprint author), Univ Washington, Seattle, WA 98195 USA. EM daniel.g.sanders@boeing.com FU Boeing Company FX The authors of this article would like to thank The Boeing Company for their support throughout this research project. Thanks are extended to The Edison Welding Institute for providing the welded specimens and Pacific Northwest National Laboratories for elevated temperature tensile testing of the base and weld materials. NR 15 TC 5 Z9 6 U1 4 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD JUN PY 2010 VL 19 IS 4 SI SI BP 481 EP 487 DI 10.1007/s11665-010-9608-2 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 596VC UT WOS:000277712600004 ER PT J AU Sanders, D Edwards, P Grant, G Ramulu, M Reynolds, A AF Sanders, Daniel Edwards, Paul Grant, Glenn Ramulu, Mamidala Reynolds, Anthony TI Superplastically Formed Friction Stir Welded Tailored Aluminum and Titanium Blanks for Aerospace Applications SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE 6Al-4V; friction stir welding; nacelle; superplastic forming; tailored blank; titanium ID 6AL-4V AB The purpose of this study was to develop a specialized friction stir welding process for superplastic grade aluminum alloy 5083-SP and titanium alloy 6Al-4V, in thickness of 1.5-4 mm, such that the butt welded nugget would have equal superplastic forming (SPF) characteristics as the parent sheet material. The concept of using tailored blanks for the SPF process is proposed which will allow the joining of multiple pieces to fabricate much larger monolithic components than has been possible in the past. Another benefit of using tailored blanks for SPF applications was found to be a more closely matched blank shape relative to the plan size of the SPF forming die. However, shape of the tailored blanks is critical in SPF of a component. An example of this might be the case where a polygon-shaped blank might work in order to reduce the amount of material used, but a rectangular blank is currently used because a tailor made blank with superplastic joints was not found to be technologically feasible. Upon development of a suitable FSW process for each material, the technology was applied to fabricate full scale test components representing a generic jet engine nacelle Lipskin. C1 [Sanders, Daniel; Edwards, Paul] Boeing Co, Seattle, WA 98124 USA. [Sanders, Daniel; Edwards, Paul; Ramulu, Mamidala] Univ Washington, Seattle, WA 98195 USA. [Grant, Glenn] Pacific NW Natl Lab, Richland, WA USA. [Reynolds, Anthony] Univ S Carolina, Columbia, SC 29208 USA. RP Sanders, D (reprint author), Boeing Co, POB 3707,MS5 K-63, Seattle, WA 98124 USA. EM daniel.g.sanders@boeing.com RI Reynolds, Anthony/F-2585-2010 FU University of South Carolina; Boeing Company; Pacific Northwest National Laboratories FX The authors wish to thank the University of South Carolina, the Boeing Company, and the Pacific Northwest National Laboratories for their support of this study. NR 6 TC 5 Z9 5 U1 0 U2 28 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD JUN PY 2010 VL 19 IS 4 SI SI BP 515 EP 520 DI 10.1007/s11665-010-9617-1 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 596VC UT WOS:000277712600009 ER PT J AU Su, CJ LaManna, JA Gao, YF Oliver, WC Pharr, GM AF Su, Caijun LaManna, James A. Gao, Yanfei Oliver, Warren C. Pharr, George M. TI Plastic instability in amorphous selenium near its glass transition temperature SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID METALLIC GLASSES; INHOMOGENEOUS DEFORMATION; SENSING INDENTATION; TANGENTIAL CONTACT; ELASTIC-MODULUS; CREEP; NANOINDENTATION; LOCALIZATION; ALLOYS; FLOW AB The deformation behavior of amorphous selenium near its glass transition temperature (31 degrees C) has been investigated by uniaxial compression and nanoindentation creep tests. Cylindrical specimens compressed at high temperatures and low strain rates deform stably into barrel-like shapes, while tests at low temperatures and high strain rates lead to fragmentation. These results agree well with stress exponent and kinetic activation parameters extracted from nanoindentation creep tests using a similarity analysis. The dependence of the deformation modes on temperature and strain rate can be understood as a consequence of material instability and strain localization in rate-dependent solids. C1 [Su, Caijun; LaManna, James A.; Gao, Yanfei; Pharr, George M.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Gao, Yanfei; Pharr, George M.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Oliver, Warren C.] Nanomech Inc, Oak Ridge, TN 37830 USA. RP Gao, YF (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ygao7@utk.edu RI Gao, Yanfei/F-9034-2010 OI Gao, Yanfei/0000-0003-2082-857X FU National Science Foundation [CMMI 0800168, DMR 0909037]; Center for Materials Processing at the University of Tennessee; Agilent Technologies; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy; Alexander von Humboldt Foundation FX Financial support for this work was provided by the National Science Foundation under Grant No. CMMI 0800168 (Y.F.G. and G.M.P.) and DMR 0909037 (Y.F.G.), the Center for Materials Processing at the University of Tennessee, and Agilent Technologies. Research at the Oak Ridge National Laboratory was sponsored by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy. One of the authors (G.M.P.) wishes to gratefully acknowledge the Alexander von Humboldt Foundation for fellowship support during the period in which the manuscript was prepared. NR 21 TC 6 Z9 6 U1 0 U2 9 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 JUN PY 2010 VL 25 IS 6 BP 1015 EP 1019 DI 10.1557/JMR.2010.0141 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 602TO UT WOS:000278161900003 ER PT J AU Ihlefeld, JF Daniels, PR Aygun, SM Borland, WJ Maria, JP AF Ihlefeld, J. F. Daniels, P. R. Aygun, S. M. Borland, W. J. Maria, J-P. TI Property engineering in BaTiO3 films by stoichiometry control SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID BARIUM-TITANATE CERAMICS; (BA,SR)TIO3 THIN-FILMS; FERROELECTRIC TRANSITION BEHAVIOR; CHEMICAL SOLUTION DEPOSITION; BASE-METAL FOILS; DIELECTRIC-PROPERTIES; GRAIN-SIZE; COMPREHENSIVE LINKAGE; PHASE-EQUILIBRIA; MICROSTRUCTURE AB BaTiO3 thin films were prepared on metallic foil substrates using chemical solution deposition. The impact of A to B site cation ratios on the phase assemblage and microstructural and dielectric properties was investigated by characterizing a sample set that includes stoichiometric BaTiO3 and 1, 2, 3, 4, and 5 mol% excess BaO. Each composition was subjected to a high-temperature anneal step with maximum dwell temperatures of 1000, 1100, and 1200 degrees C for 20 h. Excess barium concentrations greater than 3% lead to dramatic grain growth and average grain sizes exceeding 1 mu m. Despite the large deviations from stoichiometry and the 20 h dwell time at temperature, x-ray diffraction, and high-resolution electron microscopy analysis were unable to detect secondary phases until films with 5% excess barium were annealed to 1200 degrees C. Thin films with 3% excess barium were prepared on copper substrates and annealed at 1060 degrees C, the practical limit for copper. This combination of BaO excess and annealing temperature produced an average lateral grain size of 0.8 mu m and a room-temperature permittivity of 4000. This is in comparison to a permittivity of 1800 for stoichiometric material prepared using identical conditions. This work suggests metastable solubility of BaO in BaTiO3 that leads to enhanced grain growth and large permittivity values. This technique provides a new solid-state means of achieving grain growth in low thermal budget systems. C1 [Ihlefeld, J. F.; Daniels, P. R.; Aygun, S. M.; Maria, J-P.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27606 USA. [Ihlefeld, J. F.] Sandia Natl Labs, Ctr Mat Sci & Engn, Albuquerque, NM 87185 USA. [Borland, W. J.] Dupont Elect Technol, Res Triangle Pk, NC 27709 USA. RP Ihlefeld, JF (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27606 USA. EM jihlefe@sandia.gov; jpmaria@ncsu.edu RI Ihlefeld, Jon/B-3117-2009 FU E.I. du Pont de Nemours and Company; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors gratefully acknowledge the financial support of E.I. du Pont de Nemours and Company. 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 36 TC 11 Z9 11 U1 1 U2 14 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 JUN PY 2010 VL 25 IS 6 BP 1064 EP 1071 DI 10.1557/JMR.2010.0151 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 602TO UT WOS:000278161900011 ER PT J AU Mrozek, RA Cole, PJ Cole, SM Schroeder, JL Schneider, DA Hedden, RC Lenhart, JL AF Mrozek, Randy A. Cole, Phillip J. Cole, Shannon M. Schroeder, John L. Schneider, Duane A. Hedden, Ronald C. Lenhart, Joseph L. TI Design of nonaqueous polymer gels with broad temperature performance: Impact of solvent quality and processing conditions SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID PRESSURE-SENSITIVE-ADHESIVES; VOLUME PHASE-TRANSITION; MOLECULAR-WEIGHT; MONTE-CARLO; HYDROGELS; TACK; NETWORKS; FILMS; ELECTROLYTES; RHEOLOGY AB Polymer gels have potential use for a wide variety of applications, primarily due to the ability to tailor the gel properties by varying several material parameters. While substantial attention has focused on water-based hydrogels, the use of these materials is limited due to a narrow operational temperature range. This report describes a nonaqueous polymer gel, composed of a cross-linked polybutadiene network swollen with low volatility polymer plasticizers. Thermal, mechanical, and adhesive characterization illustrated that the gels exhibit performance over an extremely broad temperature range (-60-70 degrees C). Solvent quality and loading played a critical role in the operational temperature window with small solvent solubility parameter deviations dramatically reducing the operational temperature range. In addition, the processing conditions had a large impact on the gel mechanical properties. As a result, it is important to consider the influence of processing conditions and solvent quality when tailoring polymer gels for practical applications. C1 [Mrozek, Randy A.; Cole, Phillip J.; Cole, Shannon M.; Schroeder, John L.; Schneider, Duane A.; Lenhart, Joseph L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Mrozek, Randy A.; Lenhart, Joseph L.] USA, Res Lab, Aberdeen, MD 21005 USA. [Cole, Phillip J.] Northrop Grumman A&AS, Arlington, VA 22209 USA. [Hedden, Ronald C.] Texas Tech Univ, Dept Chem Engn, Lubbock, TX 79409 USA. RP Cole, PJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM Phillip.Cole_Contractor@dtra.mil; joseph.lenhartl@arl.army.mil RI Hedden, Ronald/M-3909-2014 OI Hedden, Ronald/0000-0003-3571-1403 FU ARL, Oak Ridge Institute of Science and Engineering (ORISE); United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was initiated at Sandia National Laboratories by J.L. Lenhart, P.J. Cole, and R. Mrozek and is being continued at the United States Army Research Laboratory by J.L Lenhart and R. Mrozek. R. Mrozek was funded at ARL through a contract with the Oak Ridge Institute of Science and Engineering (ORISE). 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. Certain commercial equipment and materials are identified in this paper in order to specify adequately the experimental procedure. In no case does such identification imply recommendations by the Army Research Laboratory or does it imply that the material or equipment identified is necessarily the best available for this purpose. We thank Ms. Burcu Unal for assistance with collecting ultra-small-angle neutron scattering (USANS) data. NR 65 TC 9 Z9 9 U1 2 U2 10 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 JUN PY 2010 VL 25 IS 6 BP 1105 EP 1117 DI 10.1557/JMR.2010.0155 PG 13 WC Materials Science, Multidisciplinary SC Materials Science GA 602TO UT WOS:000278161900016 ER PT J AU Cao, GH Ou, TP Jiang, H Russell, AM AF Cao, Guanghui Ou, Taoping Jiang, Hua Russell, Alan M. TI Microstructure investigations of Pt-modified gamma '-Ni3Al + gamma-Ni coatings on Ni-based superalloys SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID THERMAL BARRIER COATINGS; NICKEL-BASE SUPERALLOY; NI-BASED SUPERALLOYS; OXIDATION BEHAVIOR; MU-PHASE; NIPTAL COATINGS; HOT CORROSION; BOND COAT; PLATINUM; PRECIPITATION AB The microstructure of Pt-modified gamma'-Ni3Al + gamma-Ni coating on CMSX-4 single-crystal superalloy has been investigated by transmission electron microscopy (TEM). Cross-sectional TEM analyses showed the presence of precipitates in the coating. This precipitate was identified as the hexagonal topologically close-packed (TCP) mu phase with lattice parameters a = 0.473 nm and c = 2.565 nm. The energy-dispersive x-ray (EDX) spectrum of the mu phase suggested a refractory element rich compound comprising the elements Re, W, and Co. Twin domains parallel to (001) were found in the mu phase. The mechanisms of the mu phase and twinning formation were discussed. C1 [Cao, Guanghui; Ou, Taoping; Jiang, Hua] Shanghai Univ, Dept Mat Engn, Shanghai 200072, Peoples R China. [Cao, Guanghui; Ou, Taoping; Jiang, Hua] Shanghai Univ, Shanghai Key Lab Modern Met & Mat Proc, Shanghai 200072, Peoples R China. [Russell, Alan M.] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. [Russell, Alan M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Cao, GH (reprint author), Shanghai Univ, Dept Mat Engn, Shanghai 200072, Peoples R China. EM ghcao@shu.edu.cn FU Shanghai Committee of Science and Technology, China [08PJ1405200, 09520703300] FX G.H. Cao is grateful to Prof. Guangjun Shen of Southeast University, China, for assistance with TEM analysis, and to Prof. Brain Gleeson and Dr. Liming Zhang for providing the coating specimen. This work was partly supported by the Shanghai Committee of Science and Technology, China, under Grant Nos. 08PJ1405200 and 09520703300. NR 38 TC 4 Z9 4 U1 1 U2 13 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 JUN PY 2010 VL 25 IS 6 BP 1191 EP 1195 DI 10.1557/JMR.2010.0148 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 602TO UT WOS:000278161900025 ER PT J AU Ishii, N AF Ishii, Noriyuki TI Investigation on Stability of Transporter Protein, Glucuronide Transporter from Escherichia coli SO JOURNAL OF MEMBRANE BIOLOGY LA English DT Article DE Membrane protein; Glucuronide transporter GusB; Two-dimensional crystallization; Stability; Size-exclusion HPLC ID GATED ION CHANNELS; MYCOBACTERIUM-TUBERCULOSIS; MEMBRANE-PROTEINS; MSCL; RECEPTOR; SYSTEM; PORE AB The glucuronide transporter GusB, the product of the gusB gene from Escherichia coli, is responsible for detoxification of metabolites. In this study, we successfully expressed GusB homologously in E. coli and investigated its oligomeric state in n-dodecyl-beta-d-maltoside (DDM) detergent solution. Evidence for a pentameric state with a Stokes radius of 57 +/- A 2 for the purified GusB protein in DDM solution was obtained by analytical size-exclusion HPLC. The elution peak corresponding to pentameric GusB is commonly seen in elution profiles in the different buffer systems examined over a wide pH range. Hence, it is likely that GusB resides in the membrane as a pentamer. Stability studies with different incubation periods with the typical lipids, such as dimyristoylphosphatidylcholine, and total E. coli phospholipids, as the representatives of both phosphatidylcholine and phosphatidylethanolamine, show some clues to two-dimensional crystallization of GusB with lipids. C1 [Ishii, Noriyuki] Natl Inst Adv Ind Sci & Technol, Biomed Res Inst, Tsukuba, Ibaraki 3058566, Japan. [Ishii, Noriyuki] Natl Inst Adv Ind Sci & Technol, Biol Informat Res Ctr, Tsukuba, Ibaraki 3058566, Japan. [Ishii, Noriyuki] NYU, Sch Med, Dept Cell Biol, Skirball Inst Biomol Med, New York, NY 10016 USA. [Ishii, Noriyuki] Univ Calif Berkeley, Dept Mol & Cell Biol, Lawrence Berkeley Natl Lab, Donner Lab,Life Sci Div, Berkeley, CA 94720 USA. RP Ishii, N (reprint author), Natl Inst Adv Ind Sci & Technol, Biomed Res Inst, Tsukuba Cent 6,1-1-1 Higashi, Tsukuba, Ibaraki 3058566, Japan. EM ishii@ni.aist.go.jp RI Ishii, Noriyuki/E-5661-2011 OI Ishii, Noriyuki/0000-0002-4120-6203 FU Japan Science and Technology Corporation FX The author is grateful to those who have encouraged him to promote the study, especially Dr. G. Sano for his assistance in the construction of the amplified expression system and Dr. Y. Sadakane for DNA sequence analysis and discussions. He thanks the individuals who have advised him at the laboratories on both sides of the Pacific Ocean and the East Coast. He expresses his thanks to Dr. K. Kim for critical reading of the manuscript. A part of the research was financially supported by an Overseas Research Fellowship from the Japan Science and Technology Corporation. NR 24 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2631 J9 J MEMBRANE BIOL JI J. Membr. Biol. PD JUN PY 2010 VL 235 IS 2 BP 63 EP 72 DI 10.1007/s00232-010-9256-3 PG 10 WC Biochemistry & Molecular Biology; Cell Biology; Physiology SC Biochemistry & Molecular Biology; Cell Biology; Physiology GA 610NP UT WOS:000278740100001 PM 20490474 ER PT J AU Jeong, JW Jung, IW Jung, HJ Baney, DM Solgaard, O AF Jeong, Jae-Woong Jung, Il Woong Jung, Hee Joon Baney, Douglas M. Solgaard, Olav TI Multifunctional Tunable Optical Filter Using MEMS Spatial Light Modulator SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Microassembly; microelectromechanical systems (MEMS) platform; micromirror; optical bandpass filter; optical communication; tunable filter ID WAVELENGTH; BANDWIDTH AB In this paper, we introduce a multifunctional tunable microelectromechanical systems (MEMS) optical bandpass filter that can continuously and independently tune the center wavelength and the passband spectral width. The filter function is achieved by dispersing the input light on a MEMS spatial light modulator (SLM) that is implemented with gold-coated mirrors microassembled on a MEMS platform. The mirrors are actuated by electrostatic combdrives that are bidirectional and have a maximum stable displacement of 44 mu m in both directions for a total range of 88 mu m. By actuating the SLM, the 1-dB bandwidth of the filter can be continuously tuned from 0.1 to 1.3 nm, and the 3-dB bandwidth can be tuned from 0.3 to 1.5 nm. In addition, the center wavelength can be fine tuned by actuating the movable blocking mirrors and coarsely tuned over a large spectral range by rotating the grating. C1 [Jeong, Jae-Woong; Jung, Hee Joon; Solgaard, Olav] Stanford Univ, Stanford, CA 94305 USA. [Jung, Il Woong] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Baney, Douglas M.] Agilent Technol, Measurement Res Lab, Palo Alto, CA 94304 USA. RP Jeong, JW (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM jjeong1@stanford.edu; ijung@anl.gov; hjjung@stanford.edu; doug_baney@agilent.com; solgaard@stanford.edu RI Jung, hjjung@stanford.edu/G-9214-2012 OI Jung, hjjung@stanford.edu/0000-0003-0257-983X FU Agilent Technologies FX Manuscript received July 31, 2009; revised November 27, 2009; accepted January 28, 2010. Date of publication April 12, 2010; date of current version June 3, 2010. This work was supported by Agilent Technologies. Subject Editor H. Fujita. NR 26 TC 5 Z9 5 U1 0 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD JUN PY 2010 VL 19 IS 3 BP 610 EP 618 DI 10.1109/JMEMS.2010.2043641 PG 9 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 607WL UT WOS:000278537900018 ER PT J AU Weber, PK Graham, GA Teslich, NE Chan, WM Ghosal, S Leighton, TJ Wheeler, KE AF Weber, P. K. Graham, G. A. Teslich, N. E. Chan, W. Moberly Ghosal, S. Leighton, T. J. Wheeler, K. E. TI NanoSIMS imaging of Bacillus spores sectioned by focused ion beam SO JOURNAL OF MICROSCOPY LA English DT Article DE FIB; microbial forensics; NanoSIMS; sample preparation ID FLIGHT MASS-SPECTROMETRY; STABLE-ISOTOPE RATIOS; X-RAY-MICROANALYSIS; ELEMENTAL CHARACTERIZATION; SAMPLE PREPARATION; FORENSIC ANALYSIS; ELECTRON; MICROSCOPY; BACTERIA; CELLS AB Preparation and sectioning of bacterial spores by focused ion beam and subsequent high resolution secondary ion mass spectrometry analytical imaging is demonstrated. Scanning transmission electron microscopy mode imaging in a scanning electron microscope is used to show that the internal structure of the bacterial spore can be preserved during focused ion beam sectioning and can be imaged without contrast staining. Ion images of the sections show that the internal elemental distributions of the sectioned spores are preserved. A rapid focused ion beam top-sectioning method is demonstrated to yield comparable ion images without the need for sample trenching and section lift-out. The lift-out and thinning method enable correlated transmission electron microscopy and high resolution secondary ion mass spectrometry analyses. The top-cutting method is preferable if only secondary ion mass spectrometry analyses are performed because this method is faster and yields more sample material for analysis; depth of useful sample material is similar to 300 nm for top-cut sections versus similar to 100 nm for electron-transparent sections. C1 [Weber, P. K.; Graham, G. A.; Teslich, N. E.; Chan, W. Moberly; Ghosal, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Leighton, T. J.; Wheeler, K. E.] Childrens Hosp Oakland, Res Inst, Oakland, CA 94609 USA. RP Weber, PK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM weber21@llnl.gov FU U.S. Department of Homeland Security; LLNL Laboratory Directed Research and Development; DARPA; U.S. Department of Energy [DE-AC52-07NA27344] FX We thank C. Ramon and S.J. Fallon for technical assistance, L. Nittler for software development, I. Hutcheon for valuable discussions and insight, and F. Stadermann and three anonymous reviewers for helpful comments on the manuscript. Funding at LLNL was provided by U.S. Department of Homeland Security and LLNL Laboratory Directed Research and Development. Funding at CHORI was provided by DARPA. 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 37 TC 19 Z9 20 U1 0 U2 16 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0022-2720 J9 J MICROSC-OXFORD JI J. Microsc.. PD JUN PY 2010 VL 238 IS 3 BP 189 EP 199 DI 10.1111/j.1365-2818.2009.03336.x PG 11 WC Microscopy SC Microscopy GA 598VT UT WOS:000277867900001 PM 20579257 ER PT J AU Marshall, PE Proust, G Rogers, JT Mccabe, RJ AF Marshall, P. E. Proust, G. Rogers, J. T. Mccabe, R. J. TI Automatic twin statistics from electron backscattered diffraction data SO JOURNAL OF MICROSCOPY LA English DT Article DE EBSD; magnesium; twinning; uranium; zirconium ID HARDENING EVOLUTION; PURITY TITANIUM; DEFORMATION; TEXTURE; ZIRCONIUM; STRAIN; IDENTIFICATION; TEMPERATURE; MODEL AB A new computer code has been developed to automatically extract quantitative twin statistics from electron backscatter diffraction data. The new code is an improvement upon previous codes in that it handles materials of any crystal symmetry, type I, Type II and compound twins, and general stress states. Moreover, accuracy of the results has been greatly improved. In addition, twin statistics including number, area fraction, twin thickness and twinning dependencies on orientation, grain size and neighbourhood effects can be routinely analysed. The new code has been applied to scan data from deformed magnesium, zirconium and uranium, and can potentially be used for any twinning material for which reliable electron backscatter diffraction results can be obtained. C1 [Marshall, P. E.; Mccabe, R. J.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Proust, G.] Univ Sydney, Sch Civil Engn, Sydney, NSW 2006, Australia. [Proust, G.] Univ Sydney, Australian Key Ctr Microscopy & Microanal, Sydney, NSW 2006, Australia. [Rogers, J. T.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. RP Mccabe, RJ (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM rmccabe@lanl.gov RI Rogers, James/H-5650-2013; OI McCabe, Rodney /0000-0002-6684-7410 FU Department of Energy, Office of Basic Energy Sciences, under U.S. DOE [FWP 06SCPE401, W-7405-ENG-36] FX We thank Benjamin Henrie for sharing his twin recognition code used as a starting point to this project. We also thank Ann Kelly for her metallographic expertise, Manny Lovato and Carl Cady for mechanical testing, Carlos Tome for several discussions on the crystallographic implications of this work, and Stuart Wright at TSL/EDAX. The microscopy was performed at the Electron Microscopy Laboratory user facility at Los Alamos National Laboratory. This work was supported by funding from the Department of Energy, Office of Basic Energy Sciences Program FWP 06SCPE401, under U.S. DOE Contract No. W-7405-ENG-36. NR 23 TC 15 Z9 15 U1 1 U2 18 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0022-2720 J9 J MICROSC-OXFORD JI J. Microsc.. PD JUN PY 2010 VL 238 IS 3 BP 218 EP 229 DI 10.1111/j.1365-2818.2009.03343.x PG 12 WC Microscopy SC Microscopy GA 598VT UT WOS:000277867900004 PM 20579260 ER PT J AU Soares, TA Boschek, CB Apiyo, D Baird, C Straatsma, TP AF Soares, Thereza A. Boschek, Curt B. Apiyo, David Baird, Cheryl Straatsma, T. P. TI Molecular basis of the structural stability of a Top7-based scaffold at extreme pH and temperature conditions SO JOURNAL OF MOLECULAR GRAPHICS & MODELLING LA English DT Article DE Protein engineering; CD4 binding protein; Experimental interpretation; Chemical and thermal denaturation; Affinity reagents; Thermostable proteins; Temperature and pH-dependent; conformations ID ADAPTED ALPHA-AMYLASE; COOPERATIVE DNA-BINDING; TUMOR-SUPPRESSOR P53; DYNAMICS SIMULATION; ESCHERICHIA-COLI; FREE-ENERGY; IN-VITRO; THERMODYNAMIC STABILITY; SECONDARY STRUCTURE; THERMAL-STABILITY AB The development of stable biomolecular scaffolds that can tolerate environmental extremes has considerable potential for industrial and defense-related applications. However, most natural proteins are not sufficiently stable to withstand non-physiological conditions. We have recently engineered the de novo designed Top7 protein to specifically recognize the glycoprotein CD4 by insertion of an eight-residue loop. The engineered variant exhibited remarkable stability under chemical and thermal denaturation conditions. In the present study, far-UV CD spectroscopy and explicit-solvent MD simulations are used to investigate the structural stability of Top7 and the engineered variant under extreme conditions of temperature and pH. Circular dichroism measurements suggest that the engineered variant Top7(CB1), like Top7, retains its structure at high temperatures. Changes in CD spectra suggest that there are minor structural rearrangements between neutral and acidic environments for both proteins but that these do not make the proteins less stable at high temperatures. The anti-parallel beta-sheet is well conserved within the timescale simulated whereas there is a decrease of helical content when low pH and high-temperature conditions are combined. Concerted alanine mutations along the alpha-helices of the engineered Top7 variant did not revert this trend when at pH 2 and 400 K. The structural resilience of the anti-parallel beta-sheet suggests that the protein scaffold can accommodate varying sequences. The robustness of the Top7 scaffold under extreme conditions of pH and temperature and its amenability to production in inexpensive bacterial expression systems reveal great potential for novel biotechnological applications. (C) 2010 Elsevier Inc. All rights reserved. C1 [Soares, Thereza A.] Univ Fed Pernambuco, Dept Fundamental Chem, BR-50740540 Recife, PE, Brazil. [Soares, Thereza A.; Boschek, Curt B.; Baird, Cheryl; Straatsma, T. P.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Apiyo, David] Beckman Coulter Inc, Chaska, MN 55318 USA. RP Soares, TA (reprint author), Univ Fed Pernambuco, Dept Fundamental Chem, Av Prof Luiz Freire S-N,Cidade Univ, BR-50740540 Recife, PE, Brazil. EM thereza.soares@ufpe.br; tps@pnl.gov RI Baird, Cheryl/F-6569-2011; Soares, Thereza/G-1065-2010 OI Soares, Thereza/0000-0002-5891-6906 FU D.O.E. Office of Advanced Scientific Computing Research FX This research was supported by the D.O.E. Office of Advanced Scientific Computing Research. The authors acknowledge the William R. Wiley Environmental Molecular Sciences Laboratory for the computational resources required for this work. Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle. NR 90 TC 5 Z9 5 U1 1 U2 11 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1093-3263 J9 J MOL GRAPH MODEL JI J. Mol. Graph. PD JUN PY 2010 VL 28 IS 8 BP 755 EP 765 DI 10.1016/j.jmgm.2010.01.013 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Computer Science, Interdisciplinary Applications; Crystallography; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Computer Science; Crystallography; Mathematical & Computational Biology GA 606HY UT WOS:000278414800006 PM 20185346 ER PT J AU Elias, AL Ayala, P Zamudio, A Grobosch, M Cruz-Silva, E Romo-Herrera, JM Campos-Delgado, J Terrones, H Pichler, T Terrones, M AF Elias, A. L. Ayala, P. Zamudio, A. Grobosch, M. Cruz-Silva, E. Romo-Herrera, J. M. Campos-Delgado, J. Terrones, H. Pichler, T. Terrones, M. TI Spectroscopic Characterization of N-Doped Single-Walled Carbon Nanotube Strands: An X-ray Photoelectron Spectroscopy and Raman Study SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE Nitrogen Doped SWCNTs; XPS; Raman Spectroscopy ID NITROGEN; ELECTRON; NITRIDE; GROWTH; N-2 AB We have studied in detail the carbon and nitrogen bonding environments in nitrogen-doped single-walled carbon nanotubes (SWCNTs). The samples consisting of long strands of N-doped SWCNTs were synthesized using an aerosol assisted chemical vapor deposition method involving benzylamine-ethanol-ferrocene solutions. The studied samples were produced using different benzylamine concentrations in the solutions, and exhibited a maximum concentration of ca. 0.3%at of N, determined by X-ray photoelectron spectroscopy (XPS). In general, we observed that the ratio between substitutional nitrogen and the pyridine-like bonded nitrogen varied upon the precursor composition. Moreover, we have observed that the sp(2)-like substitutional configuration of the C-N bond does not exceed the 50% of the total N atomic incorporation. In addition, we have characterized all these samples using Raman spectroscopy and electron microscopy. C1 [Elias, A. L.; Cruz-Silva, E.; Campos-Delgado, J.; Terrones, H.; Terrones, M.] IPICyT, Lab Nanosci & Nanotechnol Res LINAN, San Luis Potosi 78216, Mexico. [Elias, A. L.; Cruz-Silva, E.; Campos-Delgado, J.; Terrones, H.; Terrones, M.] IPICyT, Adv Mat Dept, San Luis Potosi 78216, Mexico. [Ayala, P.; Pichler, T.] Univ Vienna, Fac Phys, A-1090 Vienna, Austria. [Zamudio, A.] Univ Guadalajara, Dept Ciencias Nat & Exactas, Ctr Univ Valles, Ameca 46600, Jal, Mexico. [Grobosch, M.] IFW Dresden, D-01171 Dresden, Germany. [Cruz-Silva, E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Romo-Herrera, J. M.] Univ Vigo, Dept Quim Fis, Vigo 36200, Spain. RP Terrones, M (reprint author), IPICyT, Lab Nanosci & Nanotechnol Res LINAN, Camino Presa San Jose 2055,Col Lomas 4A Secc, San Luis Potosi 78216, Mexico. RI Cruz-Silva, Eduardo/B-7003-2009; Grobosch, Mandy/E-8280-2011; Pichler, Thomas/E-4351-2013; Terrones, Mauricio/B-3829-2014; Ayala, Paola/C-5779-2014 OI Cruz-Silva, Eduardo/0000-0003-2877-1598; Pichler, Thomas/0000-0001-5377-9896; FU European Commission [NMP4-CT-2006-033350]; CONACYT-Mexico [56787, 45762, 45772, 2004-01-013/SALUD-CONACYT]; Fondo Mixto de San Luis Potosi [63001 S-3908, 63072 S-3909]; Ph.D. Scholarships; [PI 440-3/4] FX P. Ayala thanks the support of the European Commission under the 6 Framework Programme (STREP Project BNC Tubes, contract number NMP4-CT-2006-033350). T. Pichler acknowledges the financial Support of the project PI 440-3/4. This work was supported in part by CONACYT-Mexico grants: 56787 (Laboratory for Nanoscience and Nanotechnology Research-LINAN), 45762 (HT), 45772 (MT), 58899-Inter American Collaboration (MT), 2004-01-013/SALUD-CONACYT (MT), Fondo Mixto de San Luis Potosi 63001 S-3908 (MT), Fondo Mixto de San Luis Potosi 63072 S-3909 (HT) and Ph.D. Scholarships (E. Cruz-Silva, J. M. Ronio-Herrera and J. Campos-Delgado). We are grateful to D. Ramirez-Gonzalez, G. Ramirez, L. Noyola. G. Perez, A. R. Botello Mendez and A. Morelos for their technical assistance and to F. Villalpando-Paez for helpful discussions. NR 20 TC 21 Z9 21 U1 2 U2 28 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 JUN PY 2010 VL 10 IS 6 SI SI BP 3959 EP 3964 DI 10.1166/jnn.2010.2009 PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 569UC UT WOS:000275626500036 PM 20355398 ER PT J AU Keim, DA Pras, A Schonwalder, J Wong, PC Mansmann, F AF Keim, Daniel A. Pras, Aiko Schoenwaelder, Juergen Wong, Pak Chung Mansmann, Florian TI Report on the Dagstuhl Seminar on Visualization and Monitoring of Network Traffic SO JOURNAL OF NETWORK AND SYSTEMS MANAGEMENT LA English DT Editorial Material C1 [Schoenwaelder, Juergen] Jacobs Univ Bremen, Bremen, Germany. [Keim, Daniel A.] Univ Konstanz, Dept Comp & Informat Sci, Constance, Germany. [Pras, Aiko] Univ Twente, DACS Grp, NL-7500 AE Enschede, Netherlands. [Wong, Pak Chung] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Schonwalder, J (reprint author), Jacobs Univ Bremen, Bremen, Germany. EM j.schoenwaelder@jacobs-university.de NR 0 TC 1 Z9 1 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1064-7570 J9 J NETW SYST MANAG JI J. Netw. Syst. Manag. PD JUN PY 2010 VL 18 IS 2 BP 232 EP 236 DI 10.1007/s10922-010-9161-1 PG 5 WC Computer Science, Information Systems; Telecommunications SC Computer Science; Telecommunications GA 579FU UT WOS:000276354600006 ER PT J AU Klemke, R Wang, Y Jacobs, J Yang, F Camp, D Smith, R AF Klemke, R. Wang, Y. Jacobs, J. Yang, F. Camp, D. Smith, R. TI Using spatial proteomics to understand membrane organization and signal compartmentalization of the neurite and soma proteomes SO JOURNAL OF NEUROCHEMISTRY LA English DT Meeting Abstract CT 4th ISN Special Conference on Membrane Domains in CNS Physiology and Pathology CY MAY 22-26, 2010 CL Erice, ITALY SP ISN C1 [Klemke, R.; Wang, Y.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Jacobs, J.; Yang, F.; Camp, D.; Smith, R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 NR 0 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0022-3042 J9 J NEUROCHEM JI J. Neurochem. PD JUN PY 2010 VL 113 SU 1 MA 51 BP 15 EP 16 PG 2 WC Biochemistry & Molecular Biology; Neurosciences SC Biochemistry & Molecular Biology; Neurosciences & Neurology GA 603SV UT WOS:000278229300052 ER PT J AU McCloy, JS Riley, BJ Sundaram, SK Qiao, HA Crum, JV Johnson, BR AF McCloy, John S. Riley, Brian J. Sundaram, S. K. Qiao, Hong A. Crum, Jarrod V. Johnson, Bradley R. TI Structure-optical property correlations of arsenic sulfide glasses in visible, infrared and sub-millimeter regions SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE Absorption; Amorphous semiconductors; Chalcogenide glasses; Coordination; Rigidity percolation; Refractive index; Short range order ID CHALCOGENIDE GLASSES; REFRACTIVE-INDEX; RANGE ORDER; ABSORPTION; COVALENT; BEHAVIOR; SYSTEMS; ALLOYS; FILMS; AS2S3 AB Optical properties and structural aspects of AsxS100-x glasses from visible to terahertz wavelengths were explored. A series of annealed. bulk AsxS100-x glasses (x=30 to 42) were made and their refractive indices determined at terahertz, infrared, and visible frequencies using a quasi-optical backwards wave oscillator spectrometer for terahertz measurements combined with a prism coupler for visible and infrared measurements. It was found that the refractive index at all frequencies increases with arsenic composition up to 40 at.% arsenic and then decreases with additional arsenic. The structure in X-ray diffraction patterns supports the notion of a minimum volume at 40 at.%, while the average covalent coordination number indicates that the rigidity percolation threshold is reached there. At arsenic concentrations >40 at.%, the network becomes over-constrained, and the molar volume increases. (C) 2010 Elsevier B.V. All rights reserved. C1 [McCloy, John S.; Riley, Brian J.; Sundaram, S. K.; Qiao, Hong A.; Crum, Jarrod V.; Johnson, Bradley R.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP McCloy, JS (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM john.mccloy@pnl.gov RI McCloy, John/D-3630-2013; OI McCloy, John/0000-0001-7476-7771; Riley, Brian/0000-0002-7745-6730 FU U.S. Department of Energy [DE-AC05-76RL01830] FX Pacific Northwest National Laboratory (PNNL) is operated for the U.S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. The authors would like to thank Syed Khalid and Nancy Hess for help on structural investigations. The authors gratefully thank Joe Ryan for comments on the manuscript. NR 37 TC 11 Z9 11 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 EI 1873-4812 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD JUN 1 PY 2010 VL 356 IS 25-27 BP 1288 EP 1293 DI 10.1016/j.jnoncrysol.2010.04.018 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 621JB UT WOS:000279571400014 ER PT J AU Schweiger, MJ Hrma, P Humrickhouse, CJ Marcial, J Riley, BJ TeGrotenhuis, NE AF Schweiger, Michael J. Hrma, Pavel Humrickhouse, Carissa J. Marcial, Jose Riley, Brian J. TeGrotenhuis, Nathan E. TI Cluster formation of silica particles in glass batches during melting SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE Glass Formation; Silica; Melting; Borosilicates; Diffusion ID DISSOLUTION; TANKS AB The study describes the incorporation of solid silica into molten glass during glass-batch melting as a function of the grain size in the range from 5 to 275 mu m. Whereas tiny grains formed a bubbly melt, very large grains formed slowly dissolving clusters. Silica grains are forced to clusters by rising bubbles. The impact of the silica grain size on the glass-forming melt viscosity, overall density, thermal conductivity, and compositional homogeneity, as well as the consequences of these effects on glass processing in melting furnaces, is discussed. A high-alumina borosilicate glass for nuclear waste vitrification was chosen for the study, but the authors believe that the observed behaviors also occur in the melting of commercial batches. Published by Elsevier B.V. C1 [Schweiger, Michael J.; Hrma, Pavel; Humrickhouse, Carissa J.; Marcial, Jose; Riley, Brian J.; TeGrotenhuis, Nathan E.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Hrma, P (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM pavel.hrma@pnl.gov RI Marcial, Jose/I-9627-2016; OI Marcial, Jose/0000-0001-6156-5310; Riley, Brian/0000-0002-7745-6730 FU U.S. Department of Energy [DE-AC05-76RL01830]; Department of Energy, Office of Energy Management FX Pacific Northwest National Laboratory (PNNL) is operated for the U.S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. We would like to acknowledge the Department of Energy, Office of Energy Management for financial support and interest in the understanding of the melt behavior in nuclear waste melters. In particular, the authors are grateful to Albert Kruger, the glass scientist from the U.S. Department of Energy Office of River Protection for continuous interest in the progress of the study. Many others have helped in the understanding of the melt behavior through previous studies at PNNL in this area including Rachel Tate, Timothy Rainsdon, Adam Moody, Vitaliy Mantay, Ben Arrigoni, Carmen Rodriguez, and Jarrod Crum. NR 26 TC 25 Z9 25 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD JUN 1 PY 2010 VL 356 IS 25-27 BP 1359 EP 1367 DI 10.1016/j.jnoncrysol.2010.04.009 PG 9 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 621JB UT WOS:000279571400027 ER PT J AU Zeng, F Agnew, SR Raeisinia, B Myneni, GR AF Zeng, Fei Agnew, Sean R. Raeisinia, Babak Myneni, Ganapati R. TI Ultrasonic Attenuation Due to Grain Boundary Scattering in Pure Niobium SO JOURNAL OF NONDESTRUCTIVE EVALUATION LA English DT Article DE Grain scattering; Grain size; Ultrasonic attenuation; High purity metal; Superconducting; Accelerator ID POLYCRYSTALLINE MATERIALS; SIZE DISTRIBUTION; WAVES; MICROSTRUCTURE; PROPAGATION; METALS AB Experimental confirmation of various grain scattering theories exist but there are still outstanding questions concerning the characterization of microstructure using ultrasound. In this study, high purity niobium serves as a model material devoid of extrinsic scattering centers (e.g., voids, precipitates, second phase particles etc.) A range of microstructures were obtained by annealing in ultrahigh vacuum at different temperatures (600-800A degrees C) after routine cold-rolling and recrystallization heat treatment. Ultrasonic attenuation is measured as a function of a frequency for each sample. For the samples with an intermediate grain size (typically similar to 50 mu m), attenuation follows a power law dependence on frequency with an exponent of n similar to 1.6, which is close to the prediction, n=2, of classical Stochastic scattering theory. However, quantitative comparison shows that the observed attenuation is higher than predicted by the classical theory. The Stanke-Kino unified grain scattering theory may provide an explanation for the lower frequency dependence than traditional theories predict, though it still under predicts the magnitude of the attenuation. In any event, the resulting empirical relations provide a useful approach for practical grain size measurement with an acceptable level of uncertainty. The effect of a layered microstructure typical of some sheets/plates is discussed. C1 [Zeng, Fei; Agnew, Sean R.; Raeisinia, Babak] Univ Virginia, Charlottesville, VA 22904 USA. [Myneni, Ganapati R.] Jefferson Lab, Accelerator Div, Newport News, VA 23606 USA. RP Agnew, SR (reprint author), Univ Virginia, Charlottesville, VA 22904 USA. EM agnew@virginia.edu FU Reference Metals Company; U.S. Department of Energy [DE-AC05-84ER40150] FX This work was supported by a grant from Reference Metals Company to the University of Virginia monitored by Tadeu Carneiro and the U.S. Department of Energy under Contract No. DE-AC05-84ER40150. We would also like to thank Drs. W. A. Simpson and X. G. Zhang at the Oak Ridge National Laboratory for sharing their valuable experience in the ultrasonic test techniques and theory, respectively, and Dr. Yun Jo Ro, for his invaluable help with the EBSD equipment and data analysis. NR 37 TC 12 Z9 12 U1 3 U2 16 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-9298 J9 J NONDESTRUCT EVAL JI J. Nondestruct. Eval. PD JUN PY 2010 VL 29 IS 2 BP 93 EP 103 DI 10.1007/s10921-010-0068-2 PG 11 WC Materials Science, Characterization & Testing SC Materials Science GA 593CT UT WOS:000277430300003 ER PT J AU Ambrose, DM Wilkening, J AF Ambrose, David M. Wilkening, Jon TI Computation of Time-Periodic Solutions of the Benjamin-Ono Equation SO JOURNAL OF NONLINEAR SCIENCE LA English DT Article DE Periodic solutions; Benjamin-Ono equation; Nonlinear waves; Solitons; Bifurcation; Continuation; Optimal control; Adjoint equation; Spectral method ID HAMILTONIAN-SYSTEMS; DIFFERENTIAL-EQUATIONS; SURFACE-TENSION; INTERNAL WAVES; STANDING WAVES; WATER; BIFURCATIONS; EXISTENCE; FLUIDS AB We present a spectrally accurate numerical method for finding nontrivial time-periodic solutions of nonlinear partial differential equations. The method is based on minimizing a functional (of the initial condition and the period) that is positive unless the solution is periodic, in which case it is zero. We solve an adjoint PDE to compute the gradient of this functional with respect to the initial condition. We include additional terms in the functional to specify the free parameters, which in the case of the Benjamin-Ono equation, are the mean, a spatial phase, a temporal phase, and the real part of one of the Fourier modes at t=0. We use our method to study global paths of nontrivial time-periodic solutions connecting stationary and traveling waves of the Benjamin-Ono equation. As a starting guess for each path, we compute periodic solutions of the linearized problem by solving an infinite dimensional eigenvalue problem in closed form. We then use our numerical method to continue these solutions beyond the realm of linear theory until another traveling wave is reached. By experimentation with data fitting, we identify the analytical form of the solutions on the path connecting the one-hump stationary solution to the two-hump traveling wave. We then derive exact formulas for these solutions by explicitly solving the system of ODEs governing the evolution of solitons using the ansatz suggested by the numerical simulations. C1 [Ambrose, David M.] Clemson Univ, Dept Math Sci, Clemson, SC 29634 USA. [Wilkening, Jon] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Wilkening, Jon] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Ambrose, DM (reprint author), Clemson Univ, Dept Math Sci, Clemson, SC 29634 USA. EM ambrose@math.drexel.edu; wilken@math.berkeley.edu RI Ambrose, David/D-5396-2013 OI Ambrose, David/0000-0003-4753-0319 FU National Science Foundation [DMS-0926378]; Office of Science, Computational and Technology Research, U.S. Department of Energy [DE-AC02-05CH11231] FX D.M. Ambrose current address: Department of Mathematics, Drexel University, Philadelphia, PA 19104. This work was supported in part by the National Science Foundation through grant DMS-0926378.; Work of J. Wilkening was supported in part by the Director, Office of Science, Computational and Technology Research, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 54 TC 18 Z9 18 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0938-8974 J9 J NONLINEAR SCI JI J. Nonlinear Sci. PD JUN PY 2010 VL 20 IS 3 BP 277 EP 308 DI 10.1007/s00332-009-9058-x PG 32 WC Mathematics, Applied; Mechanics; Physics, Mathematical SC Mathematics; Mechanics; Physics GA 591KC UT WOS:000277298300001 ER PT J AU Reinhold, CO Krstic, PS Stuart, SJ Zhang, H Harris, PR Meyer, FW AF Reinhold, C. O. Krstic, P. S. Stuart, S. J. Zhang, H. Harris, P. R. Meyer, F. W. TI Isotope dependence of chemical erosion of carbon SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID MOLECULAR-D-IONS; ATJ GRAPHITE; REACTION KINETICS; HYDROGEN ATOMS; BOMBARDMENT; IMPACT; HYDROCARBONS; YIELDS AB We study the chemical erosion of hydrogen-supersaturated carbon due to bombardment by hydrogen isotopes H, D, and T at energies of 1-30 eV using classical molecular dynamics simulations. The chemical structure at the hydrogen-saturated interface (the distribution of terminal hydrocarbon moieties, in particular) shows a weak dependence on the mass of the impinging atoms. However, the sputtering yields increase considerably with increasing projectile mass. We analyze the threshold energies of chemical sputtering reaction channels and show that they are nearly mass independent, as expected from elementary bond-breaking chemical reactions involving hydrocarbons. Chemical sputtering yields for D impact are compared with new experimental data. Good agreement is found for small hydrocarbons but the simulations overestimate the production of large hydrocarbons for energies larger than 15 eV. We present a thorough analysis of the dependence of our simulations on the parameters of the bombardment schemes and discuss open questions and possible avenues for development. (C) 2010 Elsevier B.V. All rights reserved. C1 [Reinhold, C. O.; Krstic, P. S.; Zhang, H.; Harris, P. R.; Meyer, F. W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Reinhold, C. O.; Krstic, P. S.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Stuart, S. J.] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. RP Reinhold, CO (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM reinhold@ornl.gov RI Stuart, Steven/H-1111-2012; OI Reinhold, Carlos/0000-0003-0100-4962 FU US DoE [DE-AC05-000R22725]; NSF [CHE0239448]; DOD [47539-CH-MUR]; SciDAC FX We acknowledge support by the OBES and OFES of the US DoE under contract No. DE-AC05-000R22725 with UT-Battelle, LLC, and partial support through SciDAC. SJS acknowledges support by the NSF (CHE0239448) and the DOD (47539-CH-MUR). This work was partially performed through DoE INCITE and SciDAC. NR 38 TC 8 Z9 8 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2010 VL 401 IS 1-3 BP 1 EP 12 DI 10.1016/j.jnucmat.2010.03.012 PG 12 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 616FL UT WOS:000279194300001 ER PT J AU Hunt, RD Hunn, JD Birdwell, JF Lindemer, TB Collins, JL AF Hunt, R. D. Hunn, J. D. Birdwell, J. F. Lindemer, T. B. Collins, J. L. TI The addition of silicon carbide to surrogate nuclear fuel kernels made by the internal gelation process SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCONIA MICROSPHERES; URANIUM; CERIA; PH AB The US Department of Energy plans to use the internal gelation process to make tristructural isotropic (TRISO)-coated transuranic (TRU) fuel particles. The focus of this work is to develop TRU fuel kernels with high crush strengths, good ellipticity, and adequately dispersed silicon carbide (Sic). The submicron SiC particles in the TRU kernels are to serve as getters for excess oxygen and to potentially sequester palladium, rhodium, and ruthenium, which could damage the coatings during irradiation. Zirconium oxide microspheres stabilized with yttrium were used as surrogates because zirconium and TRU microspheres from the internal gelation process are amorphous and encounter similar processing problems. The hardness of SiC required modifications to the experimental system that was used to make uranium carbide kernels. Suitable processing conditions and equipment changes were identified so that the SiC could be homogeneously dispersed in gel spheres for subsequent calcination into strong spherical kernels. (C) 2010 Elsevier B.V. All rights reserved. C1 [Hunt, R. D.; Hunn, J. D.; Birdwell, J. F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Lindemer, T. B.; Collins, J. L.] Harbach Engn & Solut, Dayton, OH 45458 USA. RP Hunt, RD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM huntrd@ornl.gov FU US Department of Energy through the Office of Nuclear Energy, Science and Technology's Deep-Burn Development [DE-AC05-00OR22725] FX This effort was sponsored by the US Department of Energy through the Office of Nuclear Energy, Science and Technology's Deep-Burn Development Project under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The work was performed at the ORNL under the auspices of the Nuclear Science and Technology Division. NR 16 TC 9 Z9 9 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2010 VL 401 IS 1-3 BP 55 EP 59 DI 10.1016/j.jnucmat.2010.03.018 PG 5 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 616FL UT WOS:000279194300007 ER PT J AU Daw, JE Rempe, JL Knudson, DL AF Daw, J. E. Rempe, J. L. Knudson, D. L. TI Thermal properties of structural materials used in LWR vessels SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article AB High temperature thermal property data for structural materials used in existing Light Water Reactors (LWRs) are limited. Often, values extrapolated from available data, as recommended in the literature, differ significantly. To reduce uncertainties in predictions relying upon extrapolated data for LWR vessel and penetration materials, high temperature tests were completed on SA533 Grade B, Class 1 (SA533-B1) low alloy steel, Stainless Steel 304 (SS304), and Inconel 600 using material property measurement systems available in the High Temperature Test Laboratory (HTTL) at the Idaho National Laboratory (INL). Properties measured include thermal expansion, specific heat capacity, and thermal diffusivity for temperatures up to 1200 degrees C. From these results, thermal conductivity and density were calculated. Results show that, in some cases, previously recommended values for these materials differ significantly from measured values at high temperatures. (C) 2010 Published by Elsevier B.V. C1 [Daw, J. E.; Rempe, J. L.; Knudson, D. L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Daw, JE (reprint author), Idaho Natl Lab, POB 1625,MS 4112, Idaho Falls, ID 83415 USA. EM Joshua.Daw@inl.gov OI Rempe, Joy/0000-0001-5527-3549 FU U.S. Department of Energy, Office of Nuclear Energy, Science, and Technology, under DOE-NE Idaho Operations Office [DE AC07 05ID14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Energy, Science, and Technology, under DOE-NE Idaho Operations Office Contract DE AC07 05ID14517. NR 23 TC 1 Z9 1 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2010 VL 401 IS 1-3 BP 65 EP 70 DI 10.1016/j.jnucmat.2010.03.022 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 616FL UT WOS:000279194300009 ER PT J AU Terrani, KA Mamontov, E Balooch, M Olander, DR AF Terrani, Kurt A. Mamontov, Eugene Balooch, Mehdi Olander, Donald R. TI Incoherent Quasielastic Neutron Scattering study of hydrogen diffusion in thorium-zirconium hydrides SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID LAVES PHASES AB Monophase thorium-zirconium hydrides (ThZr(2)H(x)) have been fabricated starting from a metallic alloy and the hydrogen stoichiometry determined by X-ray diffraction. Incoherent Quasielastic Neutron Scattering (IQNS) on the hydrides was conducted over the temperature range 650-750 K at the Backscattering Silicon Spectrometer (BASIS) at the Spallation Neutron Source (SNS) at ORNL. The isotropic Chudley-Elliott model was utilized to analyze the quasielastic linewidth broadening data as function of momentum transfer. The diffusion coefficient and average jump distance of hydrogen atoms in ThZr(2)H(5.6) and ThZr(2)H(6.2) were extracted from the measurements. (C) 2010 Elsevier B.V. All rights reserved. C1 [Terrani, Kurt A.; Balooch, Mehdi; Olander, Donald R.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Mamontov, Eugene] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Terrani, KA (reprint author), Univ Calif Berkeley, Dept Nucl Engn, 4155 Etcheverry Hall,MC 1730, Berkeley, CA 94720 USA. EM terrani@berkeley.edu RI Mamontov, Eugene/Q-1003-2015 OI Mamontov, Eugene/0000-0002-5684-2675 FU Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX The efforts at Ames Laboratory's Materials Preparation Center and Oak Ridge National Laboratory's Spallation Neutron Source were sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. The aid and valuable technical insight of Dr. Wigbert Siekhaus at Lawrence Livermore National Laboratory is also gratefully acknowledged. NR 14 TC 2 Z9 2 U1 1 U2 13 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 JUN PY 2010 VL 401 IS 1-3 BP 91 EP 97 DI 10.1016/j.jnucmat.2010.04.003 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 616FL UT WOS:000279194300013 ER PT J AU Arjomandi, M Seward, J Gotway, MB Nishimura, S Fulton, GP Thundiyil, J King, TE Harber, P Balmes, JR AF Arjomandi, Mehrdad Seward, James Gotway, Michael B. Nishimura, Stephen Fulton, George P. Thundiyil, Josef King, Talmadge E., Jr. Harber, Philip Balmes, John R. TI Low Prevalence of Chronic Beryllium Disease Among Workers at a Nuclear Weapons Research and Development Facility SO JOURNAL OF OCCUPATIONAL AND ENVIRONMENTAL MEDICINE LA English DT Article ID HIGH-RESOLUTION CT; MEDICAL SURVEILLANCE; NATURAL-HISTORY; SENSITIZATION; PLANT; RISK; LUNG AB Objective: To study the prevalence of beryllium sensitization (BeS) and chronic beryllium disease (CBD) in a cohort of workers from a nuclear weapons research and development facility. Methods: We evaluated 50 workers with BeS with medical and occupational histories, physical examination, chest imaging with high-resolution computed tomography (N = 49), and pulmonary function testing. Forty of these workers also underwent bronchoscopy for bronchoalveolar lavage and transbronchial biopsies. Results: The mean duration of employment at the facility was 18 years and the mean latency ( from first possible exposure) to time of evaluation was 32 years. Five of the workers had CBD at the time of evaluation ( based on histology or high-resolution computed tomography); three others had evidence of probable CBD. Conclusions: These workers with BeS, characterized by a long duration of potential Be exposure and a long latency, had a low prevalence of CBD. C1 [Arjomandi, Mehrdad; Thundiyil, Josef; King, Talmadge E., Jr.; Balmes, John R.] UCSF, Dept Med, San Francisco, CA 94143 USA. [Seward, James] Lawrence Livermore Natl Lab, Dept Hlth Serv, Livermore, CA USA. [Gotway, Michael B.] Univ Calif San Francisco, Dept Radiol, San Francisco, CA 94143 USA. [Nishimura, Stephen] Univ Calif San Francisco, Dept Pathol, San Francisco, CA 94143 USA. [Fulton, George P.] Lawrence Livermore Natl Lab, Hazards Control Dept, Livermore, CA USA. [Harber, Philip] Univ Calif Los Angeles, Dept Family Med, Los Angeles, CA USA. [Gotway, Michael B.] Scottsdale Med Imaging Ltd, SW Diagnost Imaging, Scottsdale, AZ USA. [Thundiyil, Josef] Orlando Reg Med Ctr Inc, Dept Emergency Med, Orlando, FL USA. [Balmes, John R.] Univ Calif Berkeley, Sch Publ Hlth, Div Environm Hlth Sci, Berkeley, CA 94720 USA. RP Balmes, JR (reprint author), UCSF, Dept Med, San Francisco, CA 94143 USA. EM john.balmes@ucsf.edu FU Department of Energy FX This work was supported in part by a contract From the Department of Energy to operate the Lawrence Livermore National Laboratory. NR 19 TC 6 Z9 6 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1076-2752 J9 J OCCUP ENVIRON MED JI J. Occup. Environ. Med. PD JUN PY 2010 VL 52 IS 6 BP 647 EP 652 DI 10.1097/JOM.0b013e3181e36439 PG 6 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 608FM UT WOS:000278568500011 PM 20523233 ER PT J AU Limbach, F Schafer-Nolte, EO Caterino, R Gotschke, T Stoica, T Sutter, E Calarco, R AF Limbach, F. Schaefer-Nolte, E. O. Caterino, R. Gotschke, T. Stoica, T. Sutter, E. Calarco, R. TI Morphology and optical properties of Mg doped GaN nanowires in dependence of growth temperature SO JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS LA English DT Article DE GaN; MG-doping; Nanowire; MBE; Photo-luminescence ID MOLECULAR-BEAM EPITAXY; RAMAN-SCATTERING; LUMINESCENCE PROPERTIES; NANOCOLUMNS; NUCLEATION; DEFECTS; MBE AB The influence of the substrate temperature and Mg doping on the morphological and optical properties of catalyst-free GaN nanowires grown by plasma-assisted molecular beam epitaxy on Si(111) has been investigated in a large temperature range between 665 degrees C and 785 degrees C. The density and wire sizes in Mg-doped nanowires are found to change with substrate temperature in a similar way as undoped nanowires. Between 725 degrees C and 785 degrees C a trimodal size distribution and an increase of the wire density from 5.0x10(9) cm(-2) to 9.5x10(9) cm(-2) were observed. Transmission electron microscopy indicates that the upper parts of the nanowires are free of structural defects. Raman spectroscopy measurements confirm a high crystalline quality of doped wires, with a line width of the E-2(H) of 3.3 cm(-1) for samples grown at T-s=785 degrees C. Photoluminescence measurements show a strong influence of Mg on the emission properties, namely the increase of the donor-acceptor pair emission and its phonon replicas. C1 [Limbach, F.; Schaefer-Nolte, E. O.; Caterino, R.; Gotschke, T.; Stoica, T.; Calarco, R.] Res Ctr Julich GmbH, Inst Bio & Nanosyst IBN 1, D-52425 Julich, Germany. [Sutter, E.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Limbach, F (reprint author), Res Ctr Julich GmbH, Inst Bio & Nanosyst IBN 1, D-52425 Julich, Germany. EM f.limbach@fz-juelich.de RI Calarco, Raffaella/B-8218-2011 FU German Ministry of Education and Research; U.S. Department of Energy [DE-AC02-98CH1-886] FX The authors gratefully acknowledge fruitful discussions and suggestions by Prof. D. Grutzmacher. The authors wish to thank also K. H. Deussen for technical support. This work was financially supported by the German Ministry of Education and Research project "QPENS". It was performed in part under the auspices of the U.S. Department of Energy, under contract No. DE-AC02-98CH1-886. NR 25 TC 11 Z9 11 U1 0 U2 11 PU NATL INST OPTOELECTRONICS PI BUCHAREST-MAGURELE PA 1 ATOMISTILOR ST, PO BOX MG-5, BUCHAREST-MAGURELE 76900, ROMANIA SN 1454-4164 EI 1841-7132 J9 J OPTOELECTRON ADV M JI J. Optoelectron. Adv. Mater. PD JUN PY 2010 VL 12 IS 6 BP 1433 EP 1437 PG 5 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA 627RL UT WOS:000280059300031 ER PT J AU Lan, ZL Gu, JX Zheng, ZM Thakur, R Coghlan, S AF Lan, Zhiling Gu, Jiexing Zheng, Ziming Thakur, Rajeev Coghlan, Susan TI A study of dynamic meta-learning for failure prediction in large-scale systems SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Failure prediction; Meta-learning; Dynamic techniques; Large-scale systems; Blue Gene AB Despite years of study on failure prediction, it remains an open problem, especially in large-scale systems composed of vast amount of components. In this paper, we present a dynamic meta-learning framework for failure prediction. It intends to not only provide reasonable prediction accuracy, but also be of practical use in realistic environments. Two key techniques are developed to address technical challenges of failure prediction. One is meta-learning to boost prediction accuracy by combining the benefits of multiple predictive techniques. The other is a dynamic approach to dynamically obtain failure patterns from a changing training set and to dynamically extract effective rules by actively monitoring prediction accuracy at runtime. We demonstrate the effectiveness and practical use of this framework by means of real system logs collected from the production Blue Gene/L systems at Argonne National Laboratory and San Diego Supercomputer Center. Our case studies indicate that the proposed mechanism can provide reasonable prediction accuracy by forecasting up to 82% of the failures, with a runtime overhead less than 1.0 min. (C) 2010 Elsevier Inc. All rights reserved. C1 [Lan, Zhiling; Gu, Jiexing; Zheng, Ziming] IIT, Chicago, IL 60616 USA. [Thakur, Rajeev; Coghlan, Susan] Argonne Natl Lab, Argonne, IL 60439 USA. RP Lan, ZL (reprint author), IIT, Chicago, IL 60616 USA. EM lan@iit.edu; jgu5@iit.edu; zzheng11@iit.edu; thakur@mcs.anl.gov; smc@mcs.anl.gov FU US National Science Foundation [CNS-0834514, CNS-0720549, CCF-0702737]; TeraGrid Compute Allocation; Office of Advanced Scientific Computing Research, Office of Science, US Department of Energy [DE-AC02-06CH11357] FX Zhiling Lan is supported in part by US National Science Foundation grants CNS-0834514, CNS-0720549, CCF-0702737, and a TeraGrid Compute Allocation. Susan Coghlan and Rajeev Thakur are supported by the Office of Advanced Scientific Computing Research, Office of Science, US Department of Energy, under Contract DE-AC02-06CH11357. We would like to thank John White at Revision3 Company and Eva Hocks at San Diego Supercomputer Center for the discussion of the SDSC system log. Some preliminary results of this work were presented in [11,12]. NR 39 TC 12 Z9 13 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD JUN PY 2010 VL 70 IS 6 BP 630 EP 643 DI 10.1016/j.jpdc.2010.03.003 PG 14 WC Computer Science, Theory & Methods SC Computer Science GA 596DR UT WOS:000277665100002 ER PT J AU Miller, A Siffel, C Lu, CX Riehle-Colarusso, T Frias, JL Correa, A AF Miller, Assia Siffel, Csaba Lu, Chengxing Riehle-Colarusso, Tiffany Frias, Jaime L. Correa, Adolfo TI Long-Term Survival of Infants with Atrioventricular Septal Defects SO JOURNAL OF PEDIATRICS LA English DT Article ID CONGENITAL HEART-DEFECTS; NATIONAL-DEATH-INDEX; DOWN-SYNDROME; METROPOLITAN ATLANTA; HETEROTAXY SYNDROME; FONTAN OPERATION; RISK-FACTORS; VITAL STATUS; CHILDREN; MORTALITY AB Objective To examine the variation in survival in infants with atrioventricular septal defects (AVSD) with demographic factors and clinical characteristics, including the presence of Down syndrome. Study design We selected infants with all types of AVSD with Down syndrome (n = 177) and without Down syndrome (n = 161), born between Jan 1, 1979, and Dec 31, 2003 and identified through the Metropolitan Atlanta Congenital Defects Program (MACDP). Infants were classified by the complexity of their cardiac defects and presence of major non-cardiac malformations. Deaths (n = 111) were identified through 2004 with linkage with state vital records and the National Death Index. Kaplan-Meier survival probabilities and adjusted hazard ratios (HRs) were calculated in relation to demographic and clinical characteristics. Results Children with AVSD and Down syndrome had a similar overall survival probability (70%) as those without Down syndrome (69%). Mortality was higher in children with a complex AVSD (adjusted HR = 7.0; 95% CI, 3.1-15.5) and in children with >= 2 major non-cardiac malformations (adjusted HR = 3.4; 95% CI, 1.8-6.5) and was lower in children in the 1992 to 2003 birth cohort (adjusted HR = 0.6; 95% CI, 0.4-0.998). Conclusions Down syndrome was not a prognostic factor. Our findings might be helpful in assessing the long-term prognosis of infants with AVSD. (J Pediatr 2010; 156: 994-1000). C1 [Miller, Assia; Siffel, Csaba; Lu, Chengxing; Riehle-Colarusso, Tiffany; Frias, Jaime L.; Correa, Adolfo] Ctr Dis Control & Prevent, Div Birth Defects & Dev Disabil, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. [Miller, Assia] Oak Ridge Inst Sci & Educ, Atlanta, GA USA. [Siffel, Csaba] Comp Sci Corp, Atlanta, GA USA. [Lu, Chengxing] Merck Res Labs, Upper Gwynedd, PA USA. [Frias, Jaime L.] McKing Consulting Corp, Fairfax, VA USA. RP Miller, A (reprint author), Ctr Dis Control & Prevent, Div Birth Defects & Dev Disabil, Natl Ctr Birth Defects & Dev Disabil, Mailstop E-86,1600 Clifton Rd, Atlanta, GA 30333 USA. EM amiller@cdc.gov NR 45 TC 16 Z9 18 U1 0 U2 2 PU MOSBY-ELSEVIER PI NEW YORK PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010-1710 USA SN 0022-3476 J9 J PEDIATR-US JI J. Pediatr. PD JUN PY 2010 VL 156 IS 6 BP 994 EP 1000 DI 10.1016/j.jpeds.2009.12.013 PG 7 WC Pediatrics SC Pediatrics GA 599TE UT WOS:000277935400027 PM 20227717 ER PT J AU Ewh, A Perez, E Keiser, DD Sohn, YH AF Ewh, A. Perez, E. Keiser, D. D., Jr. Sohn, Y. H. TI Microstructural Characterization of U-Nb-Zr, U-Mo-Nb, and U-Mo-Ti Alloys via Electron Microscopy SO JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION LA English DT Article; Proceedings Paper CT Symposium on Diffusion in Materials for Energy Technologies CY FEB 15-19, 2009 CL San Francisco, CA SP TMS Alloy Phase Comm, TMS High Temp Alloys Comm, TMS, ASM Nucl Mat Comm, TMS Solidificat Comm, ASM, MSCTS Atom Transport Comm DE experimental phase equilibria; isothermal equilibration; materials characterization; metallic alloys; phase equilibria; ternary phase diagram; transmission electron microscopy ID IRRADIATION BEHAVIOR; AL; ALUMINUM; GROWTH; FUELS AB Ternary uranium molybdenum alloys are being examined for use as dispersion and monolithic nuclear fuels in research and test reactors. In this study, three such ternary alloys, with compositions U-10Nb-4Zr, U-8Mo-3Nb, and U-7Mo-3Ti in wt.%, were examined using scanning electron microscopy (SEM), x-ray diffraction (XRD), and transmission electron microscopy (TEM) with high angle annular dark field (HAADF) imaging via scanning transmission electron microscopy (STEM). These alloys were homogenized at 950 degrees C for 96 h and were expected to be single-phase bcc-gamma-U. However, upon examination, it was determined that despite homogenization, each of the alloys contained a small volume fraction precipitate phase. Through SEM and XRD, it was confirmed that the matrix retained the bcc-gamma-U phase. TEM specimens were prepared using site-specific focused ion beam ( FIB) in situ lift out (INLO) technique to include at least one precipitate from each alloy. By electron diffraction, the precipitate phases for the U-10Nb-4Zr, U-8Mo-3Nb, and U-7Mo-3Ti alloys were identified as bcc-(Nb, Zr), bcc-(Mo,Nb), and bcc-(Mo,Ti) solid solutions, respectively. The composition and phase information collected in this study was then used to construct ternary isotherms for each of these alloys at 950 degrees C. C1 [Ewh, A.; Perez, E.; Sohn, Y. H.] Univ Cent Florida, Dept Mech Mat & Aerosp Engn, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Keiser, D. D., Jr.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Ewh, A (reprint author), Univ Cent Florida, Dept Mech Mat & Aerosp Engn, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. EM ysohn@mail.ucf.edu RI Sohn, Yongho/A-8517-2010; Paz y Puente, Ashley/M-2022-2015 OI Sohn, Yongho/0000-0003-3723-4743; Paz y Puente, Ashley/0000-0001-7108-7164 NR 17 TC 10 Z9 10 U1 1 U2 22 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1547-7037 J9 J PHASE EQUILIB DIFF JI J. Phase Equilib. Diffus. PD JUN PY 2010 VL 31 IS 3 BP 216 EP 222 DI 10.1007/s11669-009-9645-4 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 601WA UT WOS:000278094900002 ER PT J AU Hjorth-Jensen, M Dean, DJ Hagen, G Kvaal, S AF Hjorth-Jensen, M. Dean, D. J. Hagen, G. Kvaal, S. TI Many-body interactions and nuclear structure SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID PERTURBATION-THEORY; SCATTERING AB This paper presents several challenges to nuclear many-body theory and our understanding of the stability of nuclear matter. In order to achieve this, we present five different cases, starting with an idealized toy model. These cases expose problems that need to be understood in order to match recent advances in nuclear theory with current experimental programs in low-energy nuclear physics. In particular, we focus on our current understanding, or lack thereof, of many-body forces, and how they evolve as functions of the number of particles. We provide examples of discrepancies between theory and experiment and outline some selected perspectives for future research directions. C1 [Hjorth-Jensen, M.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Hjorth-Jensen, M.; Kvaal, S.] Univ Oslo, Ctr Math Applicat, N-0316 Oslo, Norway. [Dean, D. J.; Hagen, G.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Hjorth-Jensen, M (reprint author), Univ Oslo, Dept Phys, POB 1048, N-0316 Oslo, Norway. EM morten.hjorth-jensen@fys.uio.no RI Hjorth-Jensen, Morten/B-1417-2008; Hagen, Gaute/I-6146-2012; OI Hagen, Gaute/0000-0001-6019-1687; Dean, David/0000-0002-5688-703X; Kvaal, Simen/0000-0002-5118-4546 FU Office of Nuclear Physics, US Department of Energy; Research Council of Norway FX We are much indebted to Thomas Papenbrock for many discussion and deep insights on nuclear many-body theories. Research sponsored by the Office of Nuclear Physics, US Department of Energy and the Research Council of Norway. NR 66 TC 4 Z9 4 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 EI 1361-6471 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUN PY 2010 VL 37 IS 6 AR 064035 DI 10.1088/0954-3899/37/6/064035 PG 21 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 592NE UT WOS:000277385300036 ER PT J AU Kortelainen, M Lesinski, T AF Kortelainen, Markus Lesinski, Thomas TI Instabilities in the nuclear energy density functional SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID NEUTRON-STAR DENSITIES; SKYRME PARAMETRIZATION; MATRIX EXPANSION; SUBNUCLEAR; FORCES AB In the field of energy density functionals (EDFs) used in nuclear structure and dynamics, one of the unsolved issues is the stability of the functional. Numerical issues aside, some EDFs are unstable with respect to particular perturbations of the nuclear ground-state density. The aim of this contribution is to raise questions about the origin and nature of these instabilities, the techniques used to diagnose and prevent them, and the domain of density functions in which one should expect a nuclear EDF to be stable. C1 [Kortelainen, Markus] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Kortelainen, M (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM kortelainene@ornl.gov; tlesinsk@utk.edu FU US Department of Energy [DE-FG02-96ER40963, DE-FC02-07ER41457]; US Department of Energy, UNEDF SciDAC Collaboration [DE-FC02-09ER41583]; US Department of Energy, University of Tennessee [DE-FG02-07ER41529] FX We acknowledge fruitful discussions with Mario Stoitsov and Nicolas Schunck. This work was supported by the US Department of Energy under contract nos DE-FG02-96ER40963, DE-FC02-07ER41457, DE-FC02-09ER41583 (UNEDF SciDAC Collaboration) and DE-FG02-07ER41529 (University of Tennessee). NR 25 TC 13 Z9 13 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUN PY 2010 VL 37 IS 6 AR 064039 DI 10.1088/0954-3899/37/6/064039 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 592NE UT WOS:000277385300040 ER PT J AU Michel, N Nazarewicz, W Okolowicz, J Ploszajczak, M AF Michel, N. Nazarewicz, W. Okolowicz, J. Ploszajczak, M. TI Open problems in the theory of nuclear open quantum systems SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article ID CONTINUUM SHELL-MODEL; UNIFIED THEORY; ATOMIC NUCLEI; THRESHOLD; SCATTERING; RESONANCES; MECHANICS; CHANNELS; SPECTRA AB Is there a connection between the branch point singularity at the particle emission threshold and the appearance of cluster states which reveal the structure of a corresponding reaction channel? Which nuclear states are most impacted by the coupling to the scattering continuum? What should be the most important steps in developing the theory that will truly unify nuclear structure and nuclear reactions? The common denominator of these questions is the continuum shell-model approach to bound and unbound nuclear states, nuclear decays and reactions. C1 [Michel, N.] Univ Jyvaskyla, Dept Phys, FI-40014 Jyvaskyla, Finland. [Nazarewicz, W.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Nazarewicz, W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Nazarewicz, W.] Warsaw Univ, Inst Theoret Phys, PL-00681 Warsaw, Poland. [Okolowicz, J.] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland. [Ploszajczak, M.] CNRS IN2P3, CEA DSM, GANIL, F-14076 Caen, France. RP Michel, N (reprint author), Univ Jyvaskyla, Dept Phys, POB 35 YFL, FI-40014 Jyvaskyla, Finland. EM witek@utk.edu; ploszajczak@ganil.fr FU US Department of Energy, University of Tennessee [DE-FG02-96ER4096]; CICYT-IN2P3 cooperation FX We wish to thank J Rotureau for useful discussions. This work was supported in part by the US Department of Energy under contract no DE-FG02-96ER40963 (University of Tennessee) and by the CICYT-IN2P3 cooperation. NR 74 TC 16 Z9 16 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUN PY 2010 VL 37 IS 6 AR 064042 DI 10.1088/0954-3899/37/6/064042 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 592NE UT WOS:000277385300043 ER PT J AU Fisch, NJ AF Fisch, N. J. TI Transformer recharging with alpha channeling in tokamaks SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID LOWER-HYBRID WAVES; OHMIC-HEATING TRANSFORMER; ION-BERNSTEIN WAVES; CURRENT DRIVE; CURRENT GENERATION; PLASMA; PARTICLES AB Transformer recharging with lower hybrid waves in tokamaks can give low average auxiliary power if the resistivity is kept high enough during the radio frequency recharging stage. At the same time, operation in the hot on mode via alpha channeling increases the effective fusion reactivity. Tins paper addresses the extent to which these two large cost-saving steps are compatible. C1 Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Fisch, NJ (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM fisch@princeton.edu FU DOE [DE-AC0276-CH03073] FX This work is submitted in honor of the sixtieth birthday of P. K. Shukla and in honor of Professor Shukla's outstanding contributions to plasma physics. It was in Grenoble in 1978, when the author first had the pleasure to meet Professor Shukla. That encounter took place, in fact, just, after Professor Shukla had delivered a, wonderful talk with infectious enthusiasm on the propagation of the lower hybrid wave in tokamaks [27]. This work was supported by DOE contract DE-AC0276-CH03073. NR 27 TC 16 Z9 16 U1 0 U2 3 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 J9 J PLASMA PHYS JI J. Plasma Phys. PD JUN-AUG PY 2010 VL 76 BP 627 EP 634 DI 10.1017/S0022377809990857 PN 3-4 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 602WI UT WOS:000278169300042 ER PT J AU Li, YH Gemmen, R Liu, XB AF Li, Yihong Gemmen, Randall Liu, Xingbo TI Oxygen reduction and transportation mechanisms in solid oxide fuel cell cathodes SO JOURNAL OF POWER SOURCES LA English DT Review DE Solid oxide fuel cells; Cathode modeling; Kinetics ID ELECTRICAL-CONDUCTIVITY RELAXATION; CHEMICAL DIFFUSION-COEFFICIENT; LANTHANUM MANGANITE ELECTRODES; FILM MODEL ELECTRODES; SURFACE EXCHANGE; SOFC CATHODE; TRACER DIFFUSION; LA1-XSRXMN1-YCOYO3+/-DELTA PEROVSKITES; ELECTROCHEMICAL PROPERTIES; MATHEMATICAL-MODEL AB In recent years, various models have been developed for describing the reaction mechanisms in solid oxide fuel cell (SOFC) especially for the cathode electrode. However, many fundamental issues regarding the transport of oxygen and electrode kinetics have not been fully understood. This review tried to summarize the present status of the SOFC cathode modeling efforts, and associated experimental approaches on this topic. In addition, unsolved problems and possible future research directions for SOFC cathode kinetics had been discussed. (C) 2009 Elsevier B.V. All rights reserved. C1 [Li, Yihong; Liu, Xingbo] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA. [Li, Yihong; Gemmen, Randall; Liu, Xingbo] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Liu, XB (reprint author), W Virginia Univ, Dept Mech & Aerosp Engn, POB 6106, Morgantown, WV 26506 USA. EM xingbo.liu@mail.wvu.edu FU National Energy Technology Laboratory [DE-AC26-04NT41817] FX This technical effort was performed in support of the National Energy Technology Laboratory's on-going research in West Virginia University under contract #DE-AC26-04NT41817. The assistance of Richard Pineault and David Ruehl from NETL in Morgantown, WV and fruitful discussion with Dr. Kirk Gerdes are highly appreciated. The authors also would like to gratefully acknowledge for Mingyang Gong's (Ph.D. student, WVU) help and suggestions on this work. NR 83 TC 36 Z9 36 U1 9 U2 79 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2010 VL 195 IS 11 SI SI BP 3345 EP 3358 DI 10.1016/j.jpowsour.2009.12.062 PG 14 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 566PW UT WOS:000275386100001 ER PT J AU Pathak, S Kuebler, J Payzant, A Orlovskaya, N AF Pathak, Siddhartha Kuebler, Jakob Payzant, Andrew Orlovskaya, Nina TI Mechanical behavior and electrical conductivity of La1-xCaxCoO3 (x=0, 0.2, 0.4, 0.55) perovskites SO JOURNAL OF POWER SOURCES LA English DT Article DE Perovskite; Modulus; Bending strength; Fracture toughness; Ferroelasticity; Conductivity ID LANTHANUM-GALLATE ELECTROLYTE; OXIDE FUEL-CELLS; SPIN-STATE; LACOO3-BASED CERAMICS; MAGNETIC-PROPERTIES; ELASTIC PROPERTIES; CRYSTAL-STRUCTURE; TRANSITION; LA1-XSRXCOO3; TRANSPORT AB This paper compares the important mechanical properties and the electrical conductivities from room temperature to 800 degrees C of four LaCoO3 based cobaltite compositions with 0, 20, 40 and 55% Ca2+ ions substituted on the A site of the perovskite structure respectively. Ca2+ doped lanthanum cobaltite materials are strong candidates for use as cathodes in lower temperature solid oxide fuel cells operating at or below 800 degrees C. Among these four cobaltite compositions, two (LaCoO3 and La0.8Ca0.2CoO3) were found to be phase pure materials, whereas the remaining two compositions (La0.6Ca0.4CoO3 and La0.45Ca0.55CoO3\) contained precipitation of secondary phases such as CaO and Co3O4. The mechanical properties of the four compositions, in terms of Young's modulus, four-point bending strength and fracture toughness measurements were measured at both room temperature and 800 degrees C. At room temperature, doping with Ca2+ was found to substantially increase the mechanical properties of the cobaltites, whereas at 800 degrees C the pure LaCoO3 composition exhibited higher modulus and strength values than La0.8Ca0.2CoO3. All of the four compositions exhibited ferroelastic behavior, as shown by the hysteresis loops generated during uniaxial load-unload compression tests. Electrical conductivity measurements showed the La0.8Ca0.2CoO3 composition to have the highest conductivity among the four compositions. (C) 2009 Elsevier B.V. All rights reserved. C1 [Orlovskaya, Nina] Univ Cent Florida, Dept Mech Mat & Aerosp Engn, Orlando, FL 32816 USA. [Pathak, Siddhartha] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Kuebler, Jakob] Empa, Mat Sci & Technol, Lab High Performance Ceram, CH-8600 Dubendorf, Switzerland. [Payzant, Andrew] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Orlovskaya, N (reprint author), Univ Cent Florida, Dept Mech Mat & Aerosp Engn, 4000 Cent Florida Blvd, Orlando, FL 32816 USA. EM sp324@drexel.edu; Jakob.Kuebler@empa.ch; payzanta@ornl.gov; norlovsk@mail.ucf.edu RI Payzant, Edward/B-5449-2009; OI Payzant, Edward/0000-0002-3447-2060; Kuebler, Jakob/0000-0003-1331-0721 FU National Science Foundation NSF [0201770]; Southeastern Universities Research Association (SURA) Oak Ridge National Laboratory (ORNL); EMPA, Duebendorf, Switzerland; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy FX The authors would like to thank Mr R. Bachtold for their help in performing the mechanical tests, and Ms. Laura Fagely for her assistance in the XRD measurements. This research was supported by the National Science Foundation NSF, DMR (project #0201770). This research was also supported in part by the 2005 Southeastern Universities Research Association (SURA) - Oak Ridge National Laboratory (ORNL) Summer Cooperative Research Program Scholarship, and the Thesis grant from EMPA, Duebendorf, Switzerland. Research at the Oak Ridge National Laboratory's High Temperature Materials Laboratory was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. NR 44 TC 15 Z9 16 U1 2 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2010 VL 195 IS 11 SI SI BP 3612 EP 3620 DI 10.1016/j.jpowsour.2009.11.134 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 566PW UT WOS:000275386100035 ER PT J AU Milhans, J Khaleel, M Sun, X Tehrani, M Al-Haik, M Garmestani, H AF Milhans, Jacqueline Khaleel, Mohammed Sun, Xin Tehrani, Mehran Al-Haik, Marwan Garmestani, H. TI Creep properties of solid oxide fuel cell glass-ceramic seal G18 SO JOURNAL OF POWER SOURCES LA English DT Article DE SOFC; Elastic properties; Creep; Glass-ceramic; Seal; Nanoindentation ID NANOINDENTATION CREEP; ELASTIC-MODULUS; INDENTATION; BEHAVIOR; POLYMERS; KINETICS; GROWTH; SILICA; RANGE; LOAD AB This study utilizes nanoindentation to investigate and measure creep properties of a barium calcium alumino-silicate glass-ceramic used for solid oxide fuel cell seals (SOFCs). Samples of the glass-ceramic seal material were aged for 5, 50, and 100 h to obtain different degrees of crystallinity. Instrumented nanoindentation was performed on the samples with different aging times at different temperatures to investigate the strain rate sensitivity during inelastic deformation. The temperature dependent behavior is important since SOFCs operate at high temperatures (800-1000 degrees C). Results show that the samples with higher crystallinity were more resistant to creep, and the creep compliance tended to decrease with increasing temperature, especially with further aged samples. (C) 2009 Elsevier B.V. All rights reserved. C1 [Milhans, Jacqueline; Garmestani, H.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Khaleel, Mohammed; Sun, Xin] Pacific NW Natl Lab, Richland, WA 99352 USA. [Tehrani, Mehran; Al-Haik, Marwan] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. RP Milhans, J (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, 771 Ferst Dr,Love Bldg,Rm 353, Atlanta, GA 30332 USA. EM jackie.milhans@gmail.com RI Al-Haik, Marwan/L-7732-2014; OI Al-Haik, Marwan/0000-0001-7465-0274; khaleel, mohammad/0000-0001-7048-0749 NR 21 TC 14 Z9 14 U1 0 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2010 VL 195 IS 11 SI SI BP 3631 EP 3635 DI 10.1016/j.jpowsour.2009.12.038 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 566PW UT WOS:000275386100037 ER PT J AU Hu, JZ Kwak, JH Yang, ZG Wan, XF Shaw, LL AF Hu, Jian Zhi Kwak, Ja Hun Yang, Zhenguo Wan, Xuefei Shaw, Leon L. TI Detailed investigation of ion exchange in ball-milled LiH + MgB2 system using ultra-high field nuclear magnetic resonance spectroscopy SO JOURNAL OF POWER SOURCES LA English DT Article DE Hydrogen storage; Lithium borohydride; Magnesium diboride; Li-6 nuclear magnetic resonance ID REVERSIBLE HYDROGEN STORAGE; H SYSTEMS; MG; LIBH4; AL; MECHANISM AB The present Study with the detailed H-1-Li-6 cross polarization NMR analysis confirms the formation of a ternary compound, (Mg1-xLi2x)B-2, during ball milling of LiH+(1/2)MgB2 at room temperature. The Li-6 sites in (Mg1-xLi2x)B-2 exhibit spinning sidebands (SSBs), whereas the Li-6 sites in LiH do not. The SSBs and the very short spin-lattice relaxation time manifested by Li-6 sites in (Mg1-xLi2x)B-2 indicate that the Li ions in (Mg1-xLi2x)B-2 are located between the layered boron structures and close to Mg ions. The formation of (Mg1-xLi2x)B-2 explains the previous observation that the LiH + (1/2)MgB2 mixture ball-milled effectively has a greatly enhanced hydriding kinetics at temperatures below the melting point of LiBH4. (C) 2009 Elsevier B.V. All rights reserved. C1 [Hu, Jian Zhi; Kwak, Ja Hun; Yang, Zhenguo] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wan, Xuefei; Shaw, Leon L.] Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT 06269 USA. RP Hu, JZ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jianzhi.Hu@pnl.gov; Leon.Shaw@uconn.edu RI Hu, Jian Zhi/F-7126-2012; Wan, Xuefei/C-3342-2014; Kwak, Ja Hun/J-4894-2014 FU U.S. Department of Energy (DOE) [DE-FC36-05GO15008] FX The stimulating discussion with Dr. John Vajo at HRL Laboratories and Dr. Son-Jong Hwang at California Institute of Technology regarding the assignment of 6Li peaks is greatly appreciated. This research was sponsored by the U.S. Department of Energy (DOE) under the contract number DE-FC36-05GO15008 with Dr. Ned T. Stetson as the Technology Manager. The NMR experiments were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research, and located at the Pacific Northwest National Laboratory, USA. NR 18 TC 9 Z9 9 U1 1 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2010 VL 195 IS 11 SI SI BP 3645 EP 3648 DI 10.1016/j.jpowsour.2009.12.033 PG 4 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 566PW UT WOS:000275386100040 ER PT J AU Sethuraman, VA Hardwick, LJ Srinivasan, V Kostecki, R AF Sethuraman, Vijay A. Hardwick, Laurence J. Srinivasan, Venkat Kostecki, Robert TI Surface structural disordering in graphite upon lithium intercalation/deintercalation SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium-ion battery; Graphite anode; Structural disordering; Capacity fade; Raman spectroscopy ID IN-SITU RAMAN; ION BATTERIES; AMORPHOUS-CARBON; ELECTRODES; SPECTROSCOPY; INSERTION; INTERCALATION; CELLS; MECHANISMS; CAPACITY AB We report on the origin of the Surface structural disordering in graphite anodes induced by lithium intercalation and deintercalation processes. Average Raman spectra of graphitic anodes reveal that cycling at potentials that correspond to low lithium concentrations in Li(x)C (0 <= x<0.16) is responsible for most of the structural damage observed at the graphite surface. The extent of surface structural disorder in graphite is significantly reduced for the anodes that were cycled at potentials where stage-1 and stage-2 compounds (x > 0.33) are present. Electrochemical impedance spectra show larger interfacial impedance for the electrodes that were fully delithiated during cycling as compared to electrodes that were cycled at lower potentials (U < 0. 15 V vs. Li/Li(+)). Steep Li(+) surface-bulk concentration gradients at the surface of graphite during early stages of intercalation processes, and the inherent increase of the Li(x)C d-spacing tend to induce local stresses at the edges of graphene layers, and lead to the breakage of C-C bonds. The exposed graphite edge sites react with the electrolyte to (re)form the SEI layer, which leads to gradual degradation of the graphite anode, and causes reversible capacity loss in a lithium-ion battery. Published by Elsevier B.V. C1 [Sethuraman, Vijay A.; Hardwick, Laurence J.; Srinivasan, Venkat; Kostecki, Robert] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Kostecki, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, 1 Cyclotron Rd,MS 70-108B, Berkeley, CA 94720 USA. EM R_Kostecki@lbl.gov RI Sethuraman, Vijay/E-5702-2010 OI Sethuraman, Vijay/0000-0003-4624-1355 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies; United States Department of Energy [DE-AC02-05CH11231] FX The authors gratefully acknowledge the financial support from the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, the United States Department of Energy, under contract no. DE-AC02-05CH11231. The authors thank Dr. Vincent Battaglia and Dr. Gao Liu for the provision of the electrode material and Dr. Paul Berdahl for helpful discussions. NR 32 TC 94 Z9 98 U1 8 U2 87 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 JUN 1 PY 2010 VL 195 IS 11 SI SI BP 3655 EP 3660 DI 10.1016/j.jpowsour.2009.12.034 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 566PW UT WOS:000275386100042 ER PT J AU Viswanathan, VV Choi, D Wang, DH Xu, W Towne, S Williford, RE Zhang, JG Liu, J Yang, ZG AF Viswanathan, Vilayanur V. Choi, Daiwon Wang, Donghai Xu, Wu Towne, Silas Williford, Ralph E. Zhang, Ji-Guang Liu, Jun Yang, Zhenguo TI Effect of entropy change of lithium intercalation in cathodes and anodes on Li-ion battery thermal management SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium-ion; Battery; Entropy; Reversible; Irreversible; Safety ID REFERENCE ELECTRODE; CELLS; GRAPHITE; BEHAVIOR AB The entropy changes (AS) in various cathode and anode materials, as well as in complete Li-ion batteries, were measured using an electrochemical thermodynamic measurement system (ETMS). LiCoO(2). has a much larger entropy change than electrodes based on LiNi(x)Co(y)Mn(z)O(2) and LiFePO(4), while lithium titanate based anodes have lower entropy change compared to graphite anodes. The reversible heat generation rate was found to be a significant portion of the total heat generation rate. The appropriate combinations of cathode and anode were investigated to minimize reversible heat generation rate across the 0-100% state of charge (SOC) range. In addition to screening for battery electrode materials with low reversible heat, the techniques described in this paper can be a useful engineering tool for battery thermal management in stationary and transportation applications. (C) 2009 Elsevier B.V. All rights reserved. C1 [Viswanathan, Vilayanur V.] Pacific NW Natl Lab, Lab Directed Res & Dev Program, Richland, WA 99352 USA. RP Viswanathan, VV (reprint author), Pacific NW Natl Lab, Lab Directed Res & Dev Program, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM vilayanur.viswanathan@pnl.gov RI Choi, Daiwon/B-6593-2008; Wang, Donghai/L-1150-2013; OI Wang, Donghai/0000-0001-7261-8510; Xu, Wu/0000-0002-2685-8684 FU DOE-OE Electricity Storage Program FX The research described in this paper was conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory, a multi-program national laboratory operated by Battelle for the U.S. Department of Energy. We are also grateful to Dr. Imre Gyuk of the DOE-OE Electricity Storage Program for funding to continue this work, and for helpful discussions with Mr. Tien Duong of the DOE. We sincerely appreciate the significant help provided on the ETMS system by Dr. Joseph C. McMenamin, currently at CFX Battery in Azusa, CA. We are grateful to Dr. Jinxiang Dai and Dr. Ganesh Skandan of NEI Corporation for providing us with LiFePO4 and Li titanate samples. NR 18 TC 100 Z9 104 U1 8 U2 62 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 JUN 1 PY 2010 VL 195 IS 11 SI SI BP 3720 EP 3729 DI 10.1016/j.jpowsour.2009.11.103 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 566PW UT WOS:000275386100052 ER PT J AU Robinson, DB AF Robinson, David B. TI Optimization of power and energy densities in supercapacitors SO JOURNAL OF POWER SOURCES LA English DT Article DE Ultracapacitors; Capacitors; Electrical energy storage ID DOUBLE-LAYER CAPACITORS; POROUS FILM ELECTRODES; ELECTROCHEMICAL IMPEDANCE; CARBON; PORE; MODEL; SPECTROSCOPY; MICROBATTERY; FABRICATION; BATTERIES AB Supercapacitors use nanoporous electrodes to store large amounts of charge on their high surface areas, and use the ions in electrolytes to carry charge into the pores. Their high power density makes them a potentially useful complement to batteries. However, ion transport through long, narrow channels still limits power and efficiency in these devices. Proper design can mitigate this. Current collector geometry must also be considered once this is done. Here, De Levie's model for porous electrodes is applied to quantitatively predict device performance and to propose optimal device designs for given specifications. Effects unique to nanoscale pores are considered, including that pores may not have enough salt to fully charge. Supercapacitors are of value for electric vehicles, portable electronics, and power conditioning in electrical grids with distributed renewable sources, and that value will increase as new device fabrication methods are developed and proper design accommodates those improvements. Example design outlines for vehicle applications are proposed and compared. (C) 2009 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Lab Directed Res & Dev Program, Livermore, CA 94551 USA. RP Robinson, DB (reprint author), Sandia Natl Labs, Lab Directed Res & Dev Program, POB 969 MS 9291, Livermore, CA 94551 USA. EM drobins@sandia.gov FU United States Department of Energy's National Nuclear Security Administration [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 Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 54 TC 10 Z9 10 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JUN 1 PY 2010 VL 195 IS 11 SI SI BP 3748 EP 3756 DI 10.1016/j.jpowsour.2009.12.004 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 566PW UT WOS:000275386100056 ER PT J AU McClay, JL Adkins, DE Isern, NG O'Connell, TM Wooten, JB Zedler, BK Dasika, MS Webb, BT Webb-Robertson, BJ Pounds, JG Murrelle, EL Leppert, MF van den Oord, EJCG AF McClay, Joseph L. Adkins, Daniel E. Isern, Nancy G. O'Connell, Thomas M. Wooten, Jan B. Zedler, Barbara K. Dasika, Madhukar S. Webb, Bradley Todd Webb-Robertson, Bobbie-Jo Pounds, Joel G. Murrelle, Edward L. Leppert, Mark F. van den Oord, Edwin J. C. G. TI H-1 Nuclear Magnetic Resonance Metabolomics Analysis Identifies Novel Urinary Biomarkers for Lung Function SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE chronic obstructive pulmonary disease; lung; nuclear magnetic resonance; metabolomics; urine; biomarker ID OBSTRUCTIVE PULMONARY-DISEASE; FALSE DISCOVERY RATE; INFLAMMATORY-BOWEL-DISEASE; NICOTINIC-ACID; H-1-NMR SPECTROSCOPY; HIPPURIC-ACID; COPD; EXCRETION; METABOLISM; HEALTH AB Chronic obstructive pulmonary disease (COPD), characterized by chronic airflow limitation, is a serious public health concern. In this study, we used proton nuclear magnetic resonance (H-1 NMR) spectroscopy to identify and quantify metabolites associated with lung function in COPD. Plasma and urine were collected from 197 adults with CORD and from 195 without CORD. Samples were assayed using a 600 MHz NMR spectrometer, and the resulting spectra were analyzed against quantitative spirometric measures of lung function. After correcting for false discoveries and adjusting for covariates (sex, age, smoking) several spectral regions in urine were found to be significantly associated with baseline lung function. These regions correspond to the metabolites trigonelline, hippurate and formate. Concentrations of each metabolite, standardized to urinary creatinine, were associated with baseline lung function (minimum p-value = 0.0002 for trigonelline). No significant associations were found with plasma metabolites. Urinary hippurate and formate are often related to gut microflora. This could suggest that the microbiome varies between individuals with different lung function. Alternatively, the associated metabolites may reflect lifestyle differences affecting overall health. Our results will require replication and validation, but demonstrate the utility of NMR metabolomics as a screening tool for identifying novel biomarkers of pulmonary outcomes. C1 [McClay, Joseph L.; Adkins, Daniel E.; Wooten, Jan B.; van den Oord, Edwin J. C. G.] Virginia Commonwealth Univ, Sch Pharm, Ctr Biomarker Res & Personalized Med, Richmond, VA 23298 USA. [Isern, Nancy G.; Webb-Robertson, Bobbie-Jo; Pounds, Joel G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [O'Connell, Thomas M.] Univ N Carolina, Sch Pharm, Div Pharmacotherapy & Expt Therapeut, Chapel Hill, NC 27709 USA. [Zedler, Barbara K.; Webb, Bradley Todd; Murrelle, Edward L.] Venebio Grp, Richmond, VA 23219 USA. [Dasika, Madhukar S.] ClearPoint Resources, Richmond, VA 23219 USA. [Webb, Bradley Todd] Virginia Commonwealth Univ, Virginia Inst Psychiat & Behav Genet, Richmond, VA 23219 USA. [Leppert, Mark F.] Univ Utah, Eccles Inst Human Genet, Salt Lake City, UT 84112 USA. RP McClay, JL (reprint author), Virginia Commonwealth Univ, Sch Pharm, Ctr Biomarker Res & Personalized Med, McGuire Hall,1112 E Clay St,Med Coll Virginia Cam, Richmond, VA 23298 USA. EM jlmcclay@vcu.edu RI McClay, Joseph/C-9931-2009; Webb, Bradley/B-1459-2009; OI McClay, Joseph/0000-0002-3628-2447; Webb, Bradley/0000-0002-0576-5366; Isern, Nancy/0000-0001-9571-8864; Pounds, Joel/0000-0002-6616-1566 FU LineaGen, Inc.; Philip Morris USA FX We gratefully acknowledge the contributions to this study and manuscript by Michael S. Paul, Ph.D. and Alex Lindell from LineaGen, Inc., Salt Lake City, Utah. We also acknowledge the comments of Zhang Tu and Salem Couchane, the editorial assistance of Eileen Y. Ivasauskas of Accuwrit Inc. and data management by Guoya Li and Zaigang Liu. Financial support was provided by LineaGen, Inc. and Philip Morris USA. The NMR experiments were performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. NR 53 TC 31 Z9 35 U1 0 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD JUN PY 2010 VL 9 IS 6 BP 3083 EP 3090 DI 10.1021/pr1000048 PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 603YF UT WOS:000278243300028 PM 20408573 ER PT J AU Thanos, PK Bermeo, C Rubinstein, M Suchland, KL Wang, GJ Grandy, DK Volkow, ND AF Thanos, P. K. Bermeo, C. Rubinstein, M. Suchland, K. L. Wang, G. J. Grandy, D. K. Volkow, N. D. TI Conditioned place preference and locomotor activity in response to methylphenidate, amphetamine and cocaine in mice lacking dopamine D4 receptors SO JOURNAL OF PSYCHOPHARMACOLOGY LA English DT Article DE addiction; environment; learning; novelty; psychostimulants; substance abuse ID DEFICIT HYPERACTIVITY DISORDER; ATTENTION-DEFICIT/HYPERACTIVITY DISORDER; D4 DRD4 GENE; D-4 RECEPTOR; C57BL/6J MICE; DRUG; RATS; MECHANISMS; BRAIN; EXPRESSION AB Methylphenidate (MP) and amphetamine (AMPH) are the most frequently prescribed medications for the treatment of attention-deficit/hyperactivity disorder (ADHD). Both drugs are believed to derive their therapeutic benefit by virtue of their dopamine (DA)-enhancing effects, yet an explanation for the observation that some patients with ADHD respond well to one medication but not to the other remains elusive. The dopaminergic effects of MP and AMPH are also thought to underlie their reinforcing properties and ultimately their abuse. Polymorphisms in the human gene that codes for the DA D4 receptor (D4R) have been repeatedly associated with ADHD and may correlate with the therapeutic as well as the reinforcing effects of responses to these psychostimulant medications. Conditioned place preference (CPP) for MP, AMPH and cocaine were evaluated in wild-type (WT) mice and their genetically engineered littermates, congenic on the C57Bl/6J background, that completely lack D4Rs (knockout or KO). In addition, the locomotor activity in these mice D4 receptor KO and WT mice showed CPP and increased locomotor activity differentially modulates the CPP responses to MP, AMPH and cocaine. While the D4R genotype affected CPP responses to MP (high dose only) and AMPH (low dose only) it had no effects on cocaine. Inasmuch as CPP is considered an indicator of sensitivity to reinforcing responses to drugs these data suggest a significant but limited role of D4Rs in modulating conditioning responses to MP and AMPH. In the locomotor test, D4 receptor KO mice displayed attenuated increases in AMPH-induced locomotor activity whereas responses to cocaine and MP did not differ. These results suggest distinct mechanisms for D4 receptor modulation of the reinforcing (perhaps via attenuating dopaminergic signalling) and locomotor properties of these stimulant drugs. Thus, individuals with D4 receptor polymorphisms might show enhanced reinforcing responses to MP and AMPH and attenuated locomotor response to AMPH. C1 [Thanos, P. K.; Bermeo, C.; Wang, G. J.] Brookhaven Natl Lab, Dept Med, Behav Pharmacol & Neuroimaging Lab, Upton, NY 11973 USA. [Thanos, P. K.; Volkow, N. D.] NIAAA, Lab Neuroimaging, Intramural Program, NIH, Bethesda, MD USA. [Thanos, P. K.] Univ Buenos Aires, Dept Psychol, Buenos Aires, DF, Argentina. [Suchland, K. L.; Grandy, D. K.] Oregon Hlth & Sci Univ, Dept Physiol & Pharmacol, Portland, OR 97201 USA. RP Thanos, PK (reprint author), Brookhaven Natl Lab, Dept Med, Behav Pharmacol & Neuroimaging Lab, Upton, NY 11973 USA. EM thanos@bnl.gov FU NIMH [MH67497]; NIAAA [AA 11034, AA07574, AA07611]; U.S. Department of Energy [DE-AC02]; DOE SULI FX This work was supported by NIMH (MH67497 to DKG), the NIAAA Intramural Research Program (AA 11034 & AA07574, AA07611) and by the U.S. Department of Energy under contract DE-AC02. CB was partially funded by the DOE SULI summer research program. NR 69 TC 21 Z9 21 U1 0 U2 4 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0269-8811 J9 J PSYCHOPHARMACOL JI J. Psychopharmacol. PD JUN PY 2010 VL 24 IS 6 BP 897 EP 904 DI 10.1177/0269881109102613 PG 8 WC Clinical Neurology; Neurosciences; Pharmacology & Pharmacy; Psychiatry SC Neurosciences & Neurology; Pharmacology & Pharmacy; Psychiatry GA 601UB UT WOS:000278089200013 PM 19282420 ER PT J AU Devi, VM Rinsland, CP Benner, DC Sams, RL Blake, TA AF Devi, V. Malathy Rinsland, C. P. Benner, D. Chris Sams, R. L. Blake, T. A. TI Multispectrum analysis of the nu(9) band of (C2H6)-C-12: Positions, intensities, self- and N-2-broadened half-width coefficients SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER LA English DT Article DE 33.20.Ea ID MOLECULAR SPECTROSCOPIC DATABASE; RESOLUTION INFRARED-SPECTRUM; DIODE-LASER SPECTRA; NU-9 BAND; TEMPERATURE-DEPENDENCE; UPPER TROPOSPHERE; ETHANE C2H6; MU-M; ATMOSPHERE; LINES AB Line positions, intensities, Lorentz self- and N-2-broadened half-width coefficients have been measured for (P)Q(3), (P)Q(2), (P)Q(1), (R)Q(0), (R)Q(1), (R)Q(2), and (R)Q(3) sub-band transitions in the nu(9) fundamental band of (C2H6)-C-12. A multispectrum nonlinear least-squares fitting technique was used to fit up to 17 high-resolution (similar to 0.00156 cm(-1)), room temperature absorption spectra of pure (99.99% chemical purity) natural sample of ethane and lean mixtures of the high-purity ethane diluted with N-2. A Bruker IFS 120HR Fourier transform spectrometer located at the Pacific Northwest National Laboratory (PNNL), in Richland, Washington was used to record the data. A standard Voigt line shape was assumed to fit all the data since no line mixing or other non Voigt line shapes were required to fit any of the spectra used in the analysis. Short spectral intervals (similar to 2-2.5 cm(-1)) of all 17 spectra covering a specific (P)Q or (R)Q sub-band were fit simultaneously. For the first time in an ethane band, pressure-broadened half-width coefficients were determined for the torsional-split components. However, for better reliability of the retrieved coefficients for the weaker components (transitions with large intensity ratios of 4:1 or 3:1 for most K levels between the strong and weak components), constraints were used such that the half-width coefficients of both torsional-split components for a given J were identical for a specific broadening gas. No pressure-induced shift coefficients were necessary to fit the spectra to their noise level. The present study revealed for the first time the dependence of self- and N-2-broadened half-width coefficients upon the J, K quantum numbers of the transitions in ethane. A number of transitions belonging to the nu(9)+nu(4)-nu(4) and the nu(9)+2 nu(4)-2 nu(4) hot bands were also observed in the fitted regions and measurements were made when possible. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Devi, V. Malathy; Benner, D. Chris] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [Rinsland, C. P.] NASA, Langley Res Ctr, Sci Directorate, Hampton, VA 23681 USA. [Sams, R. L.; Blake, T. A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Devi, VM (reprint author), Coll William & Mary, Dept Phys, Box 8795, Williamsburg, VA 23187 USA. EM malathy.d.venkataraman@larc.nasa.gov FU Department of Energy's Office of Biological and Environmental research located at Pacific Northwest National Laboratory (PNNL); United States Department of Energy [DE-AC05-76RLO1830]; NASA; College of William and Mary FX The authors thank Dr. Jon T. Hougen from the National Institute of Standards and Technology, Gaithersburg, MD for many useful discussions on ethane molecule and selection rules, and also for reading the manuscript and providing critical suggestions. The experimental data for the present study were recorded at the W. R. Wiley Environmental Molecular Sciences Laboratory, a National scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental research located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by the Battelle Memorial Institute under Contract DE-AC05-76RLO1830. NASA's planetary atmospheres program supported the work performed at NASA Langley Research Center and the College of William and Mary. NR 38 TC 14 Z9 12 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-4073 J9 J QUANT SPECTROSC RA JI J. Quant. Spectrosc. Radiat. Transf. PD JUN PY 2010 VL 111 IS 9 SI SI BP 1234 EP 1251 DI 10.1016/j.jqsrt.2009.10.017 PG 18 WC Optics; Spectroscopy SC Optics; Spectroscopy GA 593OY UT WOS:000277469800017 ER PT J AU Yankovich, TL Batlle, JVI Vives-Lynch, S Beresford, NA Barnett, CL Beaugelin-Seiller, K Brown, JE Cheng, JJ Copplestone, D Heling, R Hosseini, A Howard, BJ Kamboj, S Kryshev, AI Nedveckaite, T Smith, JT Wood, MD AF Yankovich, T. L. Batlle, J. Vives i Vives-Lynch, S. Beresford, N. A. Barnett, C. L. Beaugelin-Seiller, K. Brown, J. E. Cheng, J-J Copplestone, D. Heling, R. Hosseini, A. Howard, B. J. Kamboj, S. Kryshev, A. I. Nedveckaite, T. Smith, J. T. Wood, M. D. TI An international model validation exercise on radionuclide transfer and doses to freshwater biota SO JOURNAL OF RADIOLOGICAL PROTECTION LA English DT Article AB Under the International Atomic Energy Agency (IAEA)'s EMRAS (Environmental Modelling for Radiation Safety) programme, activity concentrations of Co-60, Sr-90, Cs-137 and H-3 in Perch Lake at Atomic Energy of Canada Limited's Chalk River Laboratories site were predicted, in freshwater primary producers, invertebrates, fishes, herpetofauna and mammals using eleven modelling approaches. Comparison of predicted radionuclide concentrations in the different species types with measured values highlighted a number of areas where additional work and understanding is required to improve the predictions of radionuclide transfer. For some species, the differences could be explained by ecological factors such as trophic level or the influence of stable analogues. Model predictions were relatively poor for mammalian species and herpetofauna compared with measured values, partly due to a lack of relevant data. In addition, concentration ratios are sometimes under-predicted when derived from experiments performed under controlled laboratory conditions representative of conditions in other water bodies. C1 [Yankovich, T. L.] AREVA Resources Canada, Saskatoon, SK S7K 3X5, Canada. [Batlle, J. Vives i; Vives-Lynch, S.] Westlakes Sci Consulting Ltd, Environm Sci, Moor Row CA24 3LN, Cumbria, England. [Beresford, N. A.; Barnett, C. L.; Howard, B. J.] CEH Lancaster, Lancaster Environm Ctr, Ctr Ecol & Hydrol, Radioecol Grp, Lancaster LA1 4AP, England. [Beaugelin-Seiller, K.] IRSN, Ctr Cadarache, Environm & Emergency Operat Div DEI, F-13115 St Paul Les Durance, France. [Brown, J. E.; Hosseini, A.] NRPA, Emergency Preparedness & Environm Radioact, N-1332 Osteras, Norway. [Cheng, J-J; Kamboj, S.] Argonne Natl Lab, Div Environm Sci, Radiol Hlth Risk Sect, Argonne, IL 60439 USA. [Copplestone, D.] Environm Agcy, Chem Team Sci Dept, Warrington WA4 1HG, Cheshire, England. [Heling, R.] Nucl Res & Consultancy Grp NRG, Dept Radiat & Environm, NL-6800 ES Arnhem, Netherlands. [Kryshev, A. I.] State Enterprise Sci Prod Assoc SPA, Obninsk 249038, Kaluga Region, Russia. [Nedveckaite, T.] Inst Phys, LT-02053 Vilnius, Lithuania. [Smith, J. T.] Sch Earth & Environm Sci, Portsmouth PO1 3QL, Hants, England. [Wood, M. D.] Univ Liverpool, Sch Environm Sci, Inst SWIMMER, Liverpool L69 3GP, Merseyside, England. RP Yankovich, TL (reprint author), AREVA Resources Canada, 817 45th St W, Saskatoon, SK S7K 3X5, Canada. EM tamara.yankovich@areva.ca RI Smith, Jim/G-7716-2011; Howard, Brenda/I-8279-2012; Wood, Michael/D-7813-2010; Beresford, Nicholas/I-6188-2012; OI Smith, Jim/0000-0002-0808-2739; Howard, Brenda/0000-0002-9698-9524; Copplestone, David/0000-0002-1468-9545 NR 67 TC 25 Z9 27 U1 0 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0952-4746 J9 J RADIOL PROT JI J. Radiol. Prot. PD JUN PY 2010 VL 30 IS 2 BP 299 EP 340 DI 10.1088/0952-4746/30/2/S06 PG 42 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA V24XZ UT WOS:000208444400001 PM 20530860 ER PT J AU Beresford, NA Barnett, CL Brown, JE Cheng, JJ Copplestone, D Gaschak, S Hosseini, A Howard, BJ Kamboj, S Nedveckaite, T Olyslaegers, G Smith, JT Batlle, JVI Vives-Lynch, S Yu, C AF Beresford, N. A. Barnett, C. L. Brown, J. E. Cheng, J-J Copplestone, D. Gaschak, S. Hosseini, A. Howard, B. J. Kamboj, S. Nedveckaite, T. Olyslaegers, G. Smith, J. T. Vives i Batlle, J. Vives-Lynch, S. Yu, C. TI Predicting the radiation exposure of terrestrial wildlife in the Chernobyl exclusion zone: an international comparison of approaches SO JOURNAL OF RADIOLOGICAL PROTECTION LA English DT Article ID DEFAULT CONCENTRATION RATIOS; ERICA TOOL; NONHUMAN BIOTA; AQUATIC BIOTA; SMALL MAMMALS; DERIVATION; BYELARUS; MODELS AB There is now general acknowledgement that there is a requirement to demonstrate that species other than humans are protected from anthropogenic releases of radioactivity. A number of approaches have been developed for estimating the exposure of wildlife and some of these are being used to conduct regulatory assessments. There is a requirement to compare the outputs of such approaches against available data sets to ensure that they are robust and fit for purpose. In this paper we describe the application of seven approaches for predicting the whole-body ((90)Sr, (137)Cs, (241)Am and Pu isotope) activity concentrations and absorbed dose rates for a range of terrestrial species within the Chernobyl exclusion zone. Predictions are compared against available measurement data, including estimates of external dose rate recorded by thermoluminescent dosimeters attached to rodent species. Potential reasons for differences between predictions between the various approaches and the available data are explored. C1 [Beresford, N. A.; Barnett, C. L.; Howard, B. J.] Lancaster Environm Ctr, Ctr Ecol & Hydrol Lancaster, Lancaster LA1 4AP, England. [Brown, J. E.; Hosseini, A.] Norwegian Radiat Protect Author, Dept Emergency Preparedness & Environm Radioact, NO-1332 Osteras, Norway. [Cheng, J-J; Kamboj, S.; Yu, C.] Argonne Natl Lab, Argonne, IL 60439 USA. [Copplestone, D.] England & Wales Environm Agcy, Warrington WA4 1HG, Cheshire, England. [Nedveckaite, T.] Inst Phys, LT-02053 Vilnius, Lithuania. [Olyslaegers, G.] CEN SCK, Belgian Nucl Res Ctr, Radioecol Sect, Radiat Protect Dept, B-2400 Mol, Belgium. [Smith, J. T.] Univ Portsmouth, Sch Earth & Environm Sci, Portsmouth PO1 3QL, Hants, England. [Vives i Batlle, J.; Vives-Lynch, S.] Westlakes Sci Consulting Ltd, Westlakes Res Inst, Moor Row CA24 3LN, Cumbria, England. RP Beresford, NA (reprint author), Lancaster Environm Ctr, Ctr Ecol & Hydrol Lancaster, Lib Ave, Lancaster LA1 4AP, England. EM nab@ceh.ac.uk RI Smith, Jim/G-7716-2011; Howard, Brenda/I-8279-2012; Beresford, Nicholas/I-6188-2012; OI Smith, Jim/0000-0002-0808-2739; Howard, Brenda/0000-0002-9698-9524; Copplestone, David/0000-0002-1468-9545 NR 59 TC 29 Z9 31 U1 5 U2 34 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0952-4746 J9 J RADIOL PROT JI J. Radiol. Prot. PD JUN PY 2010 VL 30 IS 2 BP 341 EP 373 DI 10.1088/0952-4746/30/2/S07 PG 33 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 608NS UT WOS:000278591600015 PM 20530868 ER PT J AU Barros, G Santos, CC Ayala, AP Guedes, I Boatner, LA Loong, CK AF Barros, G. Santos, C. C. Ayala, A. P. Guedes, I. Boatner, L. A. Loong, C. -K. TI Raman investigations of rare-earth arsenate single crystals SO JOURNAL OF RAMAN SPECTROSCOPY LA English DT Article DE Raman spectra; rare-earth arsenate; zircon structure ID INDUCED PHASE-TRANSITIONS; NEUTRON-DIFFRACTION; YTTRIUM VANADATE; INFRARED-SPECTRA; ORTHO-PHOSPHATE; COORDINATION; SCATTERING; MONAZITE; COMPRESSIBILITY; REFINEMENTS AB Polarized Raman spectroscopy was used to investigate the room-temperature phonon characteristics of a series of rare-earth arsenate (REAsO4, RE = Sm, Eu, Gd, Tb, Dy, Ho, Tm, Yb, and Lu) single crystals. The Raman data were interpreted in a systematic manner based on the known tetragonal zircon structure of these compounds, and assignments and correlations were made for the observed bands. We found that the wavenumbers of the internal modes of the AsO4 tetrahedron increased with increasing atomic number. This increase seems to be correlated to the contraction of the RE-O bond length. For three out of four lattice wavenumbers observed, this tendency was not nearly so marked as in the case of the internal mode wavenumber. Copyright (C) 2009 John Wiley & Sons, Ltd. C1 [Barros, G.; Santos, C. C.; Ayala, A. P.; Guedes, I.] Univ Fed Ceara, Dept Fis, BR-60455760 Fortaleza, Ceara, Brazil. [Boatner, L. A.] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA. [Loong, C. -K.] Sun Yat Sen Univ, Sch Phys & Engn, Guangzhou 510275, Guangdong, Peoples R China. RP Guedes, I (reprint author), Univ Fed Ceara, Dept Fis, Caixa Postal 6030,Campus Pici, BR-60455970 Fortaleza, Ceara, Brazil. EM guedes@fisica.ufc.br RI Barros, Glaydson/I-1858-2012; Santos, Clenilton/I-2540-2012; GUEDES, ILDE/C-3451-2013; Nanobiosimes, Inct/K-2263-2013; Boatner, Lynn/I-6428-2013; UFC, DF/E-1564-2017; Ayala, Alejandro/A-7518-2008; Universidade Federal do Ceara, Physics Department/J-4630-2016; OI Boatner, Lynn/0000-0002-0235-7594; Ayala, Alejandro/0000-0002-9247-6780; Universidade Federal do Ceara, Physics Department/0000-0002-9247-6780; GUEDES, ILDE/0000-0002-1040-5891 FU FUNCAP; CAPES; CNPq; FINEP; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR2725] FX Financial support for this research provided by the Brazilian agencies FUNCAP, CAPES, CNPq, and FINEP is gratefully acknowledged. The research was sponsored in part by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC05-00OR2725 with Oak Ridge National Laboratory managed and operated by UT-Battelle, LLC. NR 33 TC 5 Z9 5 U1 1 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0377-0486 EI 1097-4555 J9 J RAMAN SPECTROSC JI J. Raman Spectrosc. PD JUN PY 2010 VL 41 IS 6 BP 694 EP 697 DI 10.1002/jrs.2497 PG 4 WC Spectroscopy SC Spectroscopy GA 624RG UT WOS:000279837000016 ER PT J AU Rempel, D Star, D Barr, A Janowitz, I AF Rempel, David Star, Demetra Barr, Alan Janowitz, Ira TI Overhead drilling: Comparing three bases for aligning a drilling jig to vertical SO JOURNAL OF SAFETY RESEARCH LA English DT Article DE Construction; Overhead; Drilling; Shoulder; Ergonomics; Musculoskeletal ID WORKERS AB Problem: Drilling overhead into concrete or metal ceilings is a strenuous task done by construction workers to hang ductwork, piping, and electrical equipment. The task is associated with upper body pain and musculoskeletal disorders. Previously, we described a field usability evaluation of a foot lever and inverted drill press intervention devices that were compared to the usual method for overhead drilling. Both interventions were rated as inferior to the usual method based on poor setup time and mobility. Method: Three new interventions, which differed on the design used for aligning the drilling column to vertical, were compared to the usual method for overhead drilling by commercial construction workers (n = 16). Results: The usual method was associated with the highest levels of regional body fatigue and the poorest usability ratings when compared to the three interventions. Conclusion: Overall, the 'Collar Base' intervention design received the best usability ratings. Impact on Industry: Intervention designs developed for overhead drilling may reduce shoulder fatigue and prevent subsequent musculoskeletal disorders. These designs may also be useful for other overhead work such as lifting and supporting materials (e.g., piping, ducts) that are installed near the ceiling. Workplace health and safety interventions may require multiple rounds of field-testing prior to achieving acceptable usability ratings by the end users. (C) 2010 National Safety Council and Elsevier Ltd. All rights reserved. C1 [Rempel, David; Star, Demetra; Barr, Alan] Univ Calif San Francisco, Ergon Program, Richmond, CA 94804 USA. [Janowitz, Ira] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Rempel, D (reprint author), Univ Calif San Francisco, Ergon Program, 1301 S 46th St,Bldg 163, Richmond, CA 94804 USA. EM david.rempel@ucsf.edu; DemetraS@fortisconstruct.com; alan.barr@ucsf.edu; janowitz@comcast.net RI Rempel, David/E-8424-2013 FU NIOSH CDC HHS [U54-OH008307, OH008307-04, U54 OH008307]; None [OH008307-04] NR 8 TC 4 Z9 4 U1 2 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-4375 J9 J SAFETY RES JI J. Saf. Res. PD JUN PY 2010 VL 41 IS 3 BP 247 EP 251 DI 10.1016/j.jsr.2010.01.003 PG 5 WC Ergonomics; Public, Environmental & Occupational Health; Social Sciences, Interdisciplinary; Transportation SC Engineering; Public, Environmental & Occupational Health; Social Sciences - Other Topics; Transportation GA 628KR UT WOS:000280119100010 PM 20630276 ER PT J AU Hughes, TJR Scovazzi, G Tezduyar, TE AF Hughes, Thomas J. R. Scovazzi, Guglielmo Tezduyar, Tayfun E. TI Stabilized Methods for Compressible Flows SO JOURNAL OF SCIENTIFIC COMPUTING LA English DT Article; Proceedings Paper CT International Conference on Recent Developments of Numerical Schemes for Flow Problems CY JUN 27-29, 2007 CL Fukuoka, JAPAN DE Stabilized methods; SUPG method; Compressible flows ID FINITE-ELEMENT FORMULATION; COMPUTATIONAL FLUID-DYNAMICS; NAVIER-STOKES EQUATIONS; ADVECTIVE-DIFFUSIVE SYSTEMS; VARIATIONAL MULTISCALE METHOD; PARALLEL COMPUTING PLATFORMS; INVISCID SUPERSONIC FLOWS; LARGE-EDDY SIMULATION; SPACE-TIME PROCEDURE; MOVING BOUNDARIES AB This article reviews 25 years of research of the authors and their collaborators on stabilized methods for compressible flow computations. An historical perspective is adopted to document the main advances from the initial developments to modern approaches. C1 [Scovazzi, Guglielmo] Sandia Natl Labs, Computat Shock & Multiphys Dept 1431, Albuquerque, NM 87185 USA. [Tezduyar, Tayfun E.] Rice Univ, Houston, TX 77005 USA. [Hughes, Thomas J. R.] Univ Texas Austin, Inst Computat Sci & Engn, Austin, TX 78712 USA. RP Scovazzi, G (reprint author), Sandia Natl Labs, Computat Shock & Multiphys Dept 1431, POB 5800,MS 1319, Albuquerque, NM 87185 USA. EM gscovaz@sandia.gov RI Tezduyar, Tayfun/F-6134-2012 OI Tezduyar, Tayfun/0000-0001-8707-3162 NR 100 TC 38 Z9 38 U1 0 U2 12 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0885-7474 J9 J SCI COMPUT JI J. Sci. Comput. PD JUN PY 2010 VL 43 IS 3 BP 343 EP 368 DI 10.1007/s10915-008-9233-5 PG 26 WC Mathematics, Applied SC Mathematics GA 589KL UT WOS:000277146200005 ER PT J AU Li, J Smith, AE Kwong, KS Powell, C Sleight, AW Subramanian, MA AF Li, Jun Smith, Andrew E. Kwong, Kyei-Sing Powell, Cynthia Sleight, Arthur W. Subramanian, M. A. TI Lattice crossover and mixed valency in the LaCo1 -xRhxO3 solid solution SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Cobalt oxides; Rhodium oxides; Perovskites; Solid solutions; Thermoelectrics; Magnetism ID THERMOELECTRIC PROPERTIES; CRYSTAL-STRUCTURES; ROOM-TEMPERATURE; PEROVSKITES; CHEMISTRY AB The full LaCo1 -xRhxO3 solid solution was investigated utilizing structural, electrical transport, magnetic, and thermal conductivity characterization Strong evidence for at least some conversion of Rh3+/Co3+ to Rh4+/Co2+. is found in both structural and electrical transport data. The crystal structure is that of a rhombohedrally distorted perovskite over the range 0.0 <= x <= 0.1. The common orthorhombic distortion of the perovskite structure is found over the range 0 2 <= x <= 1.0. A crossover of all three orthorhombic cell edges occurs at x=0 5 giving the appearance of a cubic structure, which actually remains orthorhombic The octahedra in the orthorhombic structure must be distorted for x values less than 0 5, and the observed distortion suggests orbital ordering for Co2+ Electrical resistivity measurements as a function of temperature show semiconducting-like regions for all compositions There is a steady Increase in electrical resistivity as the Rh content increases. Large positive thermopower values are generally obtained above 475 K With increasing Rh substitution there is a decrease in thermal conductivity, which slowly rises with increasing temperature due to increased electrical conductivity. The electronic part of the thermal conductivity is suppressed significantly upon Rh substitution A thermoelectric figure-of-merit (ZT) of about 0 075 has been achieved for LaCo0 5Rh0 O-5(3) at 775K, and is expected to reach 015 at 1000 K. (C) 2010 Elsevier Inc. All rights reserved C1 [Li, Jun; Smith, Andrew E.; Sleight, Arthur W.; Subramanian, M. A.] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. [Kwong, Kyei-Sing; Powell, Cynthia] US DOE, Natl Energy Technol Lab Albany, Albany, OR 97321 USA. RP Subramanian, MA (reprint author), Oregon State Univ, Dept Chem, Gilbert Hall 153, Corvallis, OR 97331 USA. FU NETL [DE-AC26-04NT41817]; NSF [DMR 0804167]; NSF-IGERT FX This technical effort was performed in support of the NETL's on-going research on development of materials for energy applications under the RDS Contract DE-AC26-04NT41817. The work performed at Oregon State University was also supported by NSF Grant (DMR 0804167). A.E.S would like to thank NSF-IGERT for financial support. NR 38 TC 11 Z9 11 U1 1 U2 18 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 JUN PY 2010 VL 183 IS 6 BP 1388 EP 1393 DI 10.1016/j.jssc.2010.04.021 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 610QU UT WOS:000278750100027 ER PT J AU Rai, D Moore, DA Felmy, AR Rosso, KM Bolton, HJ AF Rai, Dhanpat Moore, Dean A. Felmy, Andrew R. Rosso, Kevin M. Bolton, Harvey, Jr. TI PuPO4(cr, hyd.) Solubility Product and Pu3+ Complexes with Phosphate and Ethylenediaminetetraacetic Acid SO JOURNAL OF SOLUTION CHEMISTRY LA English DT Article ID VALENT PLUTONIUM IONS; THERMODYNAMIC MODEL; NATURAL-WATERS; QUADRI-VALENT; TER-VALENT; EDTA; SYSTEM; ELECTROLYTES; PREDICTION; EXTRACTION AB To determine the solubility product of PuPO4(cr, hyd.)and the complexation constants of Pu(III) with phosphate and EDTA, the solubility of PuPO4(cr, hyd.) was investigated as a function of: (1) time and pH (varied from 1.0 to 12.0), and at a fixed 0.00032 mol.L-1 phosphate concentration; (2) NaH2PO4 concentrations varying from 0.0001 mol.L-1 to 1.0 mol.L-1 and at a fixed pH of 2.5; (3) time and pH (varied from 1.3 to 13.0) at fixed concentrations of 0.00032 mol.L-1 phosphate and 0.0004 mol.L-1 or 0.002 mol.L-1 Na(2)H(2)EDTA; and (4) Na(2)H(2)EDTA concentrations varying from 0.00005 mol.L-1 to 0.0256 mol.L-1 at a fixed 0.00032 mol.L-1 phosphate concentration and at pH values of approximately 3.5, 10.6, and 12.6. A combination of solvent extraction and spectrophotometric techniques confirmed that the use of hydroquinone and Na2S2O4 helped maintain the Pu as Pu(III). The solubility data were interpreted using the Pitzer and SIT models, and both provided similar values for the solubility product of PuPO4(cr, hyd.) and for the formation constant of PuEDTA(-). The log(10) of the solubility product of PuPO4(cr, hyd.) [PuPO4(cr, hyd.) reversible arrow Pu3+ + PO4-4] was determined to be -(24.42 +/- 0.38). Pitzer modeling showed that phosphate interactions with Pu3+ were extremely weak and did not require any phosphate complexes [e.g., PuPO4(aq), PuH2PO42+, Pu(H2PO4)(2)(+), Pu(H2PO4) 3(aq), and Pu(H2PO4)(4)(-)] as proposed in existing literature, to explain the experimental solubility data. SIT modeling, however, required the inclusion of PuH(2)PO4(2+) to explain the data in high NaH2PO4 concentrations; this illustrates the differences one can expect when using these two different chemical models to interpret the data. Of the Pu(III)- EDTA species, only PuEDTA- was needed to interpret the experimental data over a large range of pH values (1.3-12.9) and EDTA concentrations (0.00005-0.256 mol.L-1). Calculations based on density functional theory support the existence of PuEDTA(-) (with prospective stoichiometry as Pu(OH2)(3)EDTA(-)) as the chemically and structurally stable species. The log(10) value of the complexation constant for the formation of PuEDTA(-) [Pu3+ + EDTA(4-) reversible arrow PuEDTA(-)] determined in this study is -20.15 +/- 0.59. The data also showed that PuHEDTA(aq), Pu(EDTA)(4)(5-), Pu(EDTA)(HEDTA)(4-), Pu( EDTA)(H(2)EDTA)(3-), and Pu(EDTA)(H(3)EDTA)(2-), although reported in the literature, have no region of dominance in the experimental range of variables investigated in this study. C1 [Rai, Dhanpat] Rai Envirochem LLC, Yachats, OR USA. [Moore, Dean A.; Felmy, Andrew R.; Rosso, Kevin M.; Bolton, Harvey, Jr.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Rai, D (reprint author), Rai Envirochem LLC, POB 784, Yachats, OR USA. EM dhan.rai@raienvirochem.com RI Bolton, Harvey/E-5583-2011 NR 33 TC 6 Z9 6 U1 2 U2 12 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0095-9782 J9 J SOLUTION CHEM JI J. Solut. Chem. PD JUN PY 2010 VL 39 IS 6 BP 778 EP 807 DI 10.1007/s10953-010-9541-x PG 30 WC Chemistry, Physical SC Chemistry GA 619ZR UT WOS:000279469300003 ER PT J AU Pickelsimer, E Shiroma, EJ Wilson, DA AF Pickelsimer, Elisabeth Shiroma, Eric J. Wilson, Dulaney A. TI Statewide Investigation of Medically Attended Adverse Health Conditions of Persons With Spinal Cord Injury SO JOURNAL OF SPINAL CORD MEDICINE LA English DT Article DE Spinal cord injuries; traumatic; Demographics; Secondary complications; age; gender; Prevalence; Incidence ID SECONDARY CONDITIONS; ADMINISTRATIVE DATA; OUTCOMES RESEARCH; REHOSPITALIZATION; REHABILITATION; READMISSIONS; DISABILITIES; PEOPLE; ADULTS; DEATH AB Background/Objective: To report over a 10-year period the statewide prevalence and incidence of medically attended adverse health conditions in people with new traumatic spinal cord injury (TSCI). Design: Retrospective cohort study. Methods: (a) Identified all new TSCI cases discharged alive from statewide acute care hospitals, 1996 to 2000, using ICD-9-CM methodology. (b) Followed cases from 1996 to 2005 to quantify medically attended health conditions documented during emergency department visits, acute care hospitalizations, and outpatient hospital visits. (c) Used the life table method to calculate the prevalence and incidence of health conditions. (d) Examined Cox proportional hazard ratio of mortality by gender controlling for age and TSCI severity. Results: Nine hundred eighty-eight residents (257 women, 731 men) with TSCI were alive 90 days after discharge from acute care hospitalization from 1996 to 2000. Nine hundred twenty-three (251 female, 672 male) (93.4%) residents had an observed medically attended adverse health condition in the 10-year follow-up period. The most prevalent classes of diseases and disorders were (a) muscle and connective tissue, (b) renal and urinary, (c) digestive, (d) circulatory, (e) respiratory, (f) endocrine/nutritional/metabolic, and (g) infectious. Incidence of new injury was 29.0% for males and 26.9% for females. During the follow-up period, 49 women (19%) and 104 men (14%) died. Conclusions: People with TSCI experience diverse adverse health conditions in the 10 years after initial injury. An interdisciplinary health care provider team approach to allocating resources and implementing countermeasures to prevent or limit occurrence of these conditions is vital to these patients' continuum of care. C1 [Pickelsimer, Elisabeth] Med Univ S Carolina, Charleston, SC 29425 USA. [Shiroma, Eric J.] Harvard Univ, Cambridge, MA 02138 USA. [Wilson, Dulaney A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Pickelsimer, E (reprint author), Med Univ S Carolina, 135 Cannon St,MSC 835, Charleston, SC 29425 USA. EM pickelse@musc.edu OI Wilson, Dulaney/0000-0003-4726-7848 FU South Carolina Spinal Cord Injury Research Fund [0705] FX The South Carolina Spinal Cord Injury Research Fund (award #0705) sponsored this study [PI: E. Elisabeth Pickelsimer]. NR 55 TC 15 Z9 16 U1 1 U2 3 PU AMER PARAPLEGIA SOC PI JACKSON HWIGHTS PA 75-20 ASTORIA BLVD, JACKSON HWIGHTS, NY 11370-1177 USA SN 1079-0268 J9 J SPINAL CORD MED JI J. Spinal Cord. Med. PD JUN PY 2010 VL 33 IS 3 BP 221 EP 231 PG 11 WC Clinical Neurology SC Neurosciences & Neurology GA 639WQ UT WOS:000281007700004 PM 20737795 ER PT J AU Ben-Naim, E Krapivsky, PL AF Ben-Naim, E. Krapivsky, P. L. TI Random ancestor trees SO JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT LA English DT Article DE kinetic growth processes (theory); random graphs; networks ID COMPLEX NETWORKS; GROWING NETWORKS; WORLD AB We investigate a network growth model in which the genealogy controls the evolution. In this model, a new node selects a random target node and links either to this target node, or to its parent, or to its grandparent, etc; all nodes from the target node to its most ancient ancestor are equiprobable destinations. The emerging random ancestor tree is very shallow: the fraction g(n) of nodes at distance n from the root decreases super-exponentially with n, gn = e(-1)/(n-1)!. We find that a macroscopic hub at the root coexists with highly connected nodes at higher generations. The maximal degree of a node at the nth generation grows algebraically as N-1/beta n, where N is the system size. We obtain the series of nontrivial exponents which are roots of transcendental equations: beta(1) congruent to 1.351 746, beta(2) congruent to 1.682 201, etc. As a consequence, the fraction p(k) of nodes with degree k has an algebraic tail, p(k) similar to k(-gamma), with gamma = beta(1) + 1 = 2.351 746. C1 [Ben-Naim, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ben-Naim, E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Krapivsky, P. L.] Boston Univ, Dept Phys, Boston, MA 02215 USA. RP Ben-Naim, E (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM ebn@lanl.gov; paulk@bu.edu RI Ben-Naim, Eli/C-7542-2009; Krapivsky, Pavel/A-4612-2014 OI Ben-Naim, Eli/0000-0002-2444-7304; FU DOE [DE-AC52-06NA25396]; NSF [CCF-0829541] FX We thank Hasan Guclu, Renaud Lambiotte and Sidney Redner for useful discussions. We are grateful for financial support from DOE grant DE-AC52-06NA25396 and NSF grant CCF-0829541. PLK thanks the Theoretical Division and the Center for Nonlinear Studies at Los Alamos National Laboratory for hospitality. NR 33 TC 4 Z9 4 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1742-5468 J9 J STAT MECH-THEORY E JI J. Stat. Mech.-Theory Exp. PD JUN PY 2010 AR P06004 DI 10.1088/1742-5468/2010/06/P06004 PG 14 WC Mechanics; Physics, Mathematical SC Mechanics; Physics GA 649CG UT WOS:000281744100027 ER PT J AU Loeppky, JL Moore, LM Williams, BJ AF Loeppky, Jason L. Moore, Leslie M. Williams, Brian J. TI Batch sequential designs for computer experiments SO JOURNAL OF STATISTICAL PLANNING AND INFERENCE LA English DT Article DE Computer experiment; Gaussian process; Random function; Latin hypercube sample; Maximin distance; Entropy ID MODEL; OPTIMIZATION; CALIBRATION; PREDICTION; HYPERCUBE; OUTPUT AB Computer models simulating a physical process are used in many areas of science. Due to the complex nature of these codes it is often necessary to approximate the code, which is typically done using a Gaussian process. In many situations the number of code runs available to build the Gaussian process approximation is limited. When the initial design is small or the underlying response surface is complicated this can lead to poor approximations of the code output. In order to improve the fit of the model, sequential design strategies must be employed. In this paper we introduce two simple distance based metrics that can be used to augment an initial design in a batch sequential manner. In addition we propose a sequential updating strategy to an orthogonal array based Latin hypercube sample. Vie show via various real and simulated examples that the distance metrics and the extension of the orthogonal array based Latin hypercubes work well in practice. (C) 2009 Elsevier B.V. All rights reserved C1 [Loeppky, Jason L.] Univ British Columbia, Dept Math & Stat, Kelowna, BC V1V 1V7, Canada. [Moore, Leslie M.; Williams, Brian J.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. RP Loeppky, JL (reprint author), Univ British Columbia, Dept Math & Stat, Kelowna, BC V1V 1V7, Canada. EM jason@stat.ubc.ca; lmoore@lanl.gov; brianw@lanl.gov OI Williams, Brian/0000-0002-3465-4972 FU Natural Sciences and Engineering Research Council of Canada; Cetin Unal of Los Alamos National Laboratory, through the Nuclear Energy Advanced Modeling and Simulation Campaign of the U.S. Department of Energy's Advanced Fuel Cycle Initiative FX The research of Loeppky was supported by a grant from the Natural Sciences and Engineering Research Council of Canada. The research of Williams and Moore was supported by Cetin Unal of Los Alamos National Laboratory, through the Nuclear Energy Advanced Modeling and Simulation Campaign of the U.S. Department of Energy's Advanced Fuel Cycle Initiative. We are grateful to the Editor and referees for improvements in the presentation. The authors also acknowledge the support and encouragement of C. C. Essix. NR 31 TC 26 Z9 27 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3758 J9 J STAT PLAN INFER JI J. Stat. Plan. Infer. PD JUN PY 2010 VL 140 IS 6 BP 1452 EP 1464 DI 10.1016/j.jspi.2009.12.004 PG 13 WC Statistics & Probability SC Mathematics GA 566BT UT WOS:000275345500008 ER PT J AU Bezares, J Asaro, RJ Hawley, M AF Bezares, Jiddu Asaro, Robert J. Hawley, Marilyn TI Macromolecular structure of the organic framework of nacre in Haliotis rufescens: Implications for mechanical response SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Mollusk nacre; Biomineralization; Mollusk organic framework ID WHEAT-GERM-AGGLUTININ; SPECTRIN REPEATS; ACIDIC PROTEINS; CALCIUM-BINDING; COLLOIDAL GOLD; SHELL; MOLLUSK; CHITIN; CHITOSAN; MATRIX AB Direct experimental probes of the mechanical response of the biopolymer framework of nacre extracted from the shell of the gastropod Haliotis rufescens have been performed. Both monotonic tensile, and time dependent relaxation, tests revealed that the tissue comprising the interlamellar layers within nacre obeyed a simple constitutive model conforming to the visco-elastic standard linear solid, with time constants in the range tau = 140 +/- 4 s. We conclude that the behavior is essentially that imparted by the chitin core of these layers. Interestingly we find that the chitin network of the core appears to be connected over multiple CaCO(3) tiles. A simple composite model is formulated and used to interpret the observed behavior. (C) 2010 Elsevier Inc. All rights reserved. C1 [Bezares, Jiddu; Asaro, Robert J.] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA. [Hawley, Marilyn] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Asaro, RJ (reprint author), Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA. EM rasaro@san.rr.com NR 77 TC 22 Z9 22 U1 2 U2 22 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD JUN PY 2010 VL 170 IS 3 BP 484 EP 500 DI 10.1016/j.jsb.2010.01.006 PG 17 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 599XA UT WOS:000277946200006 PM 20109552 ER PT J AU Riley, PR Goodwin, LB Lewis, CJ AF Riley, Paul R. Goodwin, Laurel B. Lewis, Claudia J. TI Controls on fault damage zone width, structure, and symmetry in the Bandelier Tuff, New Mexico SO JOURNAL OF STRUCTURAL GEOLOGY LA English DT Article DE Fault zone; Rio Grande rift; Damage zone; Fracture density; Bandelier Tuff ID RIO-GRANDE RIFT; POORLY LITHIFIED SEDIMENTS; FLUID-FLOW; DEFORMATION BANDS; POROUS SANDSTONES; PERMEABILITY STRUCTURE; FRACTURE; SLIP; ROCK; ARCHITECTURE AB We studied welded and glassy nonwelded ignimbrites of the Bandelier Tuff cut by the Pajarito fault system to examine the influence of primary lithology and structure on fault damage-zone characteristics. Our work supports previous studies that indicate welding and resulting rock strength are first-order controls on the type of fault-zone structure that forms in high porosity ignimbrites. However, inherited mechanical anisotropy is the most significant control on spatial variations in fault-zone width and orientation of structures for a given throw. Cooling joints in welded ignimbrite localize strain, producing a narrower damage zone than that in glassy nonwelded ignimbrite. The joints also control the orientations of discrete fractures formed during faulting, so fractures show the same patterns inside and outside damage zones, which we attribute to local reorientation of stresses adjacent to joints. In contrast, deformation bands formed in relatively isotropic, glassy nonwelded ignimbrite exhibit conjugate sets oblique to the Pajarito fault, consistent with left-lateral extension across a pre-existing structure. Where footwall and hanging wall damage-zone widths can be compared in welded ignimbrite, they reflect greater hanging wall deformation, consistent with near-surface faulting. These observations collectively record 3D strain of a physically heterogeneous system. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Riley, Paul R.; Goodwin, Laurel B.] Univ Wisconsin, Madison, WI 53706 USA. [Lewis, Claudia J.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Riley, PR (reprint author), Univ Wisconsin, 1215 W Dayton St, Madison, WI 53706 USA. EM priley@geology.wisc.edu FU IGPP [1121R, 10594-001-05] FX This research was supported by IGPP grants 1121R and 10594-001-05. PR thanks T. Johnson and C. Schuettpelz for support/guidance in the field. We thank S. Raiser for assistance with photographs. Detailed constructive reviews by D. Sanderson and C. Okubo significantly improved the manuscript. NR 77 TC 11 Z9 12 U1 2 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0191-8141 J9 J STRUCT GEOL JI J. Struct. Geol. PD JUN PY 2010 VL 32 IS 6 BP 766 EP 780 DI 10.1016/j.jsg.2010.05.005 PG 15 WC Geosciences, Multidisciplinary SC Geology GA 663DG UT WOS:000282862600006 ER PT J AU McCloy, J Riley, B Johnson, B Schweiger, M Qiao, HA Carlie, N AF McCloy, John Riley, Brian Johnson, Bradley Schweiger, Michael Qiao, Hong Amy Carlie, Nathan TI The Predictive Power of Electronic Polarizability for Tailoring the Refractivity of High-Index Glasses: Optical Basicity Versus the Single Oscillator Model SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID METAL OXIDE GLASSES; PBO-BI2O3-GA2O3 GLASSES; SILICATE-GLASSES; VALENCE STATES; AVERAGE ELECTRONEGATIVITY; DIELECTRIC CONSTANT; PBO-GA2O3 GLASSES; BINARY SILICATE; ELEMENTS; SYSTEMS AB High-density (similar to 8 g/cm3) heavy metal oxide glasses composed of PbO, Bi(2)O(3), and Ga(2)O(3) were produced, and refractivity parameters (refractive index and density) were computed and measured. Refractive indices were measured at six discrete wavelengths from 0.633 to 10.59 mu m using a prism coupler, and data were fitted to the Sellmeier expression. Optical basicity was computed using three models-average electronegativity, ionic-covalent parameter, and energy gap-and the results were used to compute oxygen polarizability and subsequently the refractive index. Single oscillator energy and dispersion energy were calculated from experimental indices and from oxide energy parameters. The predicted glass index dispersion based on oxide oscillator parameters underestimates the measured index by only 3%-4%. The predicted glass index from optical basicity, based on oxide energy gaps, underpredicts the index at 0.633 mu m by only 2%. The calculated glass energy gap based on this optical basicity overpredicts the experimental optical gap by 6%-10%. Thus, we have shown that the density, the refractive index in the visible, and the energy gap can be reasonably predicted using only composition, optical basicity values for the constituent oxides, and partial molar volume coefficients. The relative contributions of the oxides to the total polarizability were assessed, providing an additional insight into controlling the refractivity of high-index glasses. C1 [McCloy, John; Riley, Brian; Johnson, Bradley; Schweiger, Michael; Qiao, Hong Amy] Pacific NW Natl Lab, Richland, WA 99352 USA. [Carlie, Nathan] Clemson Univ, Clemson, SC 29634 USA. RP McCloy, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM john.mccloy@pnl.gov RI McCloy, John/D-3630-2013; OI McCloy, John/0000-0001-7476-7771; Riley, Brian/0000-0002-7745-6730 FU U.S. Department of Energy by Battelle [DE-AC05-76RL01830] FX Pacific Northwest National Laboratory (PNNL) is operated for the U.S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. NR 99 TC 11 Z9 11 U1 0 U2 6 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD JUN PY 2010 VL 93 IS 6 BP 1650 EP 1662 DI 10.1111/j.1551-2916.2010.03613.x PG 13 WC Materials Science, Ceramics SC Materials Science GA 604WL UT WOS:000278309100031 ER PT J AU Ryu, HY Wang, Q Raj, R AF Ryu, Hee-Yeon Wang, Qi Raj, Rishi TI Ultrahigh-Temperature Semiconductors Made from Polymer-Derived Ceramics SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID PRECURSORS; OXIDATION; SICN AB We report the semiconductor behavior of polymer-derived ceramics at high temperatures extending up to 1300 degrees C, far above that of any known material. The conductivity depends strongly on the N/O molar ratio, reaching its highest value when the ratio is approximately unity. The temperature dependence of the conductivity for these specimens, sigma, shows good agreement with the Mott's variable range hopping (VRH) mechanism for three-dimensional conduction in amorphous materials as described by sigma proportional to exp - (T(0)/T)(1/4). The comparison yields the following range of values for the density of states, N(E) = 4.9 x 10(17)-5.9 x 10(18) (eV.cm(3))(-1), hopping energy, W = 0.017-0.047 eV, and hopping distance, R = 13.4-21.8 nm. The charge carrier mobilities predicted by the VRH model are in excellent agreement with the values measured in the Hall experiment. The long hopping distances are an unusual feature of this ceramic, suggesting longrange wave functions that may arise from clusters of SiCNO atoms that can exist in the form of a nanodomain network. Specimens that are either rich in oxygen (at the expense of nitrogen) or rich in nitrogen, have conductivities that are four to eight orders of magnitude lower than the similar to equimolar compositions. One oxygen-rich specimen shows band-gap controlled semiconductivity with an activation energy of 1.1 eV. Taken together, these results suggest that the electronic properties of the SiCNO ceramics are controlled by complex interactions between C and other atoms (Si, N, and O). These results are at variance with the simple picture where "free carbon'' is assumed to determine the electronic behavior. C1 [Ryu, Hee-Yeon; Raj, Rishi] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Wang, Qi] Natl Ctr Photovolta, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Raj, R (reprint author), PDC Energy LLC, Louisville, KY USA. EM qjayaram@materi-als.iisc.ernet.in OI RAJ, RISHI/0000-0001-8556-9797 FU Air Force Office of Scientific Research; Ceramics Program in the Division of Materials Research [0502781] FX This research was supported by the Air Force Office of Scientific Research, and in part by the Ceramics Program in the Division of Materials Research at the National Science Foundation under Grant No. 0502781. NR 17 TC 35 Z9 35 U1 2 U2 18 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD JUN PY 2010 VL 93 IS 6 BP 1668 EP 1676 DI 10.1111/j.1551-2916.2010.03623.x PG 9 WC Materials Science, Ceramics SC Materials Science GA 604WL UT WOS:000278309100033 ER PT J AU Lourette, N Smallwood, H Wu, S Robinson, EW Squier, TC Smith, RD Pasa-Tolic, L AF Lourette, Natacha Smallwood, Heather Wu, Si Robinson, Errol W. Squier, Thomas C. Smith, Richard D. Pasa-Tolic, Ljiljana TI A Top-Down LC-FTICR MS-Based Strategy for Characterizing Oxidized Calmodulin in Activated Macrophages SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID IONIZATION MASS-SPECTROMETRY; OXIDATIVE STRESS; LIQUID-CHROMATOGRAPHY; SELECTIVE NITRATION; TYROSINE NITRATION; PROTEIN OXIDATION; PEROXYNITRITE; IDENTIFICATION; DISEASE; BRAIN AB A liquid chromatography-mass spectrometry (LC-MS)-based approach for characterizing the degree of nitration and oxidation of intact calmodulin (CaM) has been used to resolve 250 CaM oxiforms using only 500 ng of protein. The analysis was based on high-resolution data of the intact CaM isoforms obtained by Fourier-transform ion cyclotron resonance mass spectrometry (FTICR MS) coupled with an on-line reversed-phase LC separation. Tentative identifications of post-translational modifications (PTMs), such as oxidation or nitration, have been assigned by matching observed protein mass to a database containing all theoretically predicted oxidation products of CaM and verified through a combination of tryptic peptide information (generated from bottom-up analyses) and on-line collisionally induced dissociation (CID) tandem mass spectrometry (MS/MS) at the intact protein level. The reduction in abundance and diversity of oxidatively modified CaM (i.e., nitrated tyrosines and oxidized methionines) induced by macrophage activation has been explored and semiquantified for different oxidation degrees (i.e., no oxidation, moderate, and high oxidation). This work demonstrates the power of the top-down approach to identify and quantify hundreds of combinations of PTMs for single protein target such as CaM and implicate competing repair and peptidase activities to modulate cellular metabolism in response to oxidative stress. (J Am Soc Mass Spectrom 2010, 21, 930-939) (C) 2010 Published by Elsevier Inc. on behalf of American Society for Mass Spectrometry C1 [Wu, Si; Robinson, Errol W.; Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Lourette, Natacha; Smallwood, Heather; Squier, Thomas C.; Smith, Richard D.] Pacific NW Natl Lab, Fundamental & Computat Sci Div, Richland, WA 99352 USA. RP Pasa-Tolic, L (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd,POB 999,MSIN K8-98, Richland, WA 99352 USA. EM ljiljana.pasatolic@pnl.gov RI Robinson, Errol/I-3148-2012; Smith, Richard/J-3664-2012 OI Robinson, Errol/0000-0003-0696-6239; Smith, Richard/0000-0002-2381-2349 FU National Center for Research Resources [RR 018522]; U.S. Department of Energy (DOE) Office of Biological and Environmental Research; DOE [DE-AC05-76RLO 1830] FX Portions of this work were supported by the National Center for Research Resources (RR 018522) and the U.S. Department of Energy (DOE) Office of Biological and Environmental Research. Work was performed in the Environmental Molecular Science Laboratory, a DOE national scientific user facility located on the campus of Pacific Northwest National Laboratory (PNNL) in Richland, Washington. PNNL is a multi-program national laboratory operated by Battelle for the DOE under contract DE-AC05-76RLO 1830. NR 48 TC 14 Z9 15 U1 1 U2 3 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 JUN PY 2010 VL 21 IS 6 BP 930 EP 939 DI 10.1016/j.jasms.2010.02.027 PG 10 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 605KD UT WOS:000278345600007 PM 20417115 ER PT J AU Elcock, D AF Elcock, Deborah TI Future US Water Consumption: The Role of Energy Production1 SO JOURNAL OF THE AMERICAN WATER RESOURCES ASSOCIATION LA English DT Article DE water consumption; water-energy policy; water-energy coefficients; energy production; fuel extraction; projections; biofuels; geographic information system; water resources management AB This study investigates how meeting domestic energy production targets for both fossil and renewable fuels may affect future water demand. It combines projections of energy production developed by the U.S. Department of Energy with estimates of water consumption on a per-unit basis (water-consumption coefficients) for coal, oil, gas, and biofuels production, to estimate and compare the domestic freshwater consumed. Although total domestic freshwater consumption is expected to increase by nearly 7% between 2005 and 2030, water consumed for energy production is expected to increase by nearly 70%, and water consumed for biofuels (biodiesel and ethanol) production is expected to increase by almost 250%. By 2030, water consumed in the production of biofuels is projected to account for nearly half of the total amount of water consumed in the production of all energy fuels. Most of this is for irrigation, and the West North Central Region is projected to consume most of this water in 2030. These findings identify an important potential future conflict between renewable energy production and water availability that warrants further investigation and action to ensure that future domestic energy demand can be met in an economically efficient and environmentally sustainable manner. C1 Argonne Natl Lab, Div Environm Sci, Washington, DC 20024 USA. RP Elcock, D (reprint author), Argonne Natl Lab, Div Environm Sci, 955 LEnfant Plaza SW,Suite 6000, Washington, DC 20024 USA. EM elcock@anl.gov FU U.S. Department of Energy (USDOE) [DE-AC02-06CH11357]; USDOE/NETL FX Argonne National Laboratory's work was supported by the U.S. Department of Energy (USDOE), Assistant Secretary for Fossil Energy, under contract DE-AC02-06CH11357. It was funded by USDOE/NETL's Existing Plants Program, which has an energy-water research effort that focuses on water use at power plants. The author wishes to thank James Kuiper, Scott Bailey, Christina Colantoni, and Brian Cantwell of Argonne National Laboratory for their work in preparing the GIS maps for this study. Without these maps, the analysis of regional water consumption trends would have been virtually impossible. NR 20 TC 22 Z9 23 U1 1 U2 13 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1093-474X J9 J AM WATER RESOUR AS JI J. Am. Water Resour. Assoc. PD JUN PY 2010 VL 46 IS 3 BP 447 EP 460 DI 10.1111/j.1752-1688.2009.00413.x PG 14 WC Engineering, Environmental; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA 607QZ UT WOS:000278522700001 ER PT J AU Jang, J Kwon, HJ Cho, YS Lee, YY AF Jang, Ji-ho Kwon, Hyeok Jung Cho, Yong Sub Lee, Yong Yung TI Beam Collimation in the PEFP RCS SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article; Proceedings Paper CT 13th International Conference on Accelerator and Beam Utilization CY OCT 13-14, 2009 CL Gyeongju, SOUTH KOREA DE PEFP; RCS; Beam collimation AB This work is related to the beam collimation in the injection period of the proton engineering frontier project (PEFP) rapid cycling synchrotron (RCS). The two-stage collimation scheme was used with two rectangular collimators. We studied the collimation efficiency under various collimator conditions and optimized the collimation system in order to minimize the uncontrolled beam losses. C1 [Jang, Ji-ho; Kwon, Hyeok Jung; Cho, Yong Sub] Korea Atom Energy Res Inst, Proton Engn Frontier Project, Taejon 305353, South Korea. [Lee, Yong Yung] Brookhaven Natl Lab, New York, NY USA. RP Jang, J (reprint author), Korea Atom Energy Res Inst, Proton Engn Frontier Project, Taejon 305353, South Korea. EM jangjh@kaeri.re.kr NR 5 TC 0 Z9 0 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD JUN PY 2010 VL 56 IS 6 SI SI BP 2008 EP 2012 DI 10.3938/jkps.56.2008 PN 1 PG 5 WC Physics, Multidisciplinary SC Physics GA 611PD UT WOS:000278830600017 ER PT J AU Cucchietti, FM AF Cucchietti, Fernando M. TI Time reversal in an optical lattice SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS LA English DT Article ID SUPERFLUID-INSULATOR TRANSITION; BOSE-EINSTEIN CONDENSATE; FESHBACH RESONANCES; NEUTRAL ATOMS; DECOHERENCE; SPECTROSCOPY; STABILITY; SYSTEMS; BOSONS; MODEL AB Time reversal is an oft-used technique to probe and measure a quantum system. In particular, it is key for some theoretical information approaches to quantum criticality like fidelity decay. Here proposed is how to reverse the dynamics of cold bosonic atoms in an optical lattice in the regime described by the Bose-Hubbard model. The proposed experiment uses proven techniques-a linear phase imprint on the lattice, and a change in magnetic field to tune the boson-boson scattering length through a Feshbach resonance. The sensitivity of quantum dynamics across the insulator-superfluid quantum phase transition of the Bose-Hubbard model is studied, and sensing applications of dynamic reversals such as measuring the intensity of external potentials (e.g., gravity) is discussed. (C) 2010 Optical Society of America C1 [Cucchietti, Fernando M.] ICFO Inst Ciencies Foton, Castelldefels 08860, Barcelona, Spain. [Cucchietti, Fernando M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Cucchietti, FM (reprint author), ICFO Inst Ciencies Foton, Mediterranean Technol Pk, Castelldefels 08860, Barcelona, Spain. EM fernando.cucchietti@icfo.es RI Cucchietti, Fernando/C-7765-2016 OI Cucchietti, Fernando/0000-0002-9027-1263 FU Spanish MEC [FIS2008-00784]; EU; ERC; Caixa Manresa FX I thank Eddy Timmermans for many fruitful conversations and, in particular, for directing my attention to phase imprinting. I also acknowledge Philippe Jacquod, Juan Pablo Paz, Mark Raizen, and Paolo Zanardi for valuable discussions, and Diego Dalvit and Bogdan Damski for carefully reading the manuscript. This work was partially funded by Spanish MEC project TOQATA (FIS2008-00784), EU Integrated Project SCALA, ERC Advanced Grant QUAGATUA, and Caixa Manresa. NR 47 TC 7 Z9 7 U1 1 U2 5 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0740-3224 J9 J OPT SOC AM B JI J. Opt. Soc. Am. B-Opt. Phys. PD JUN PY 2010 VL 27 IS 6 BP A30 EP A35 PG 6 WC Optics SC Optics GA 606NQ UT WOS:000278433500030 ER PT J AU Kanetake, F Mukuda, H Kitaoka, Y Magishi, K Sugawara, H Itoh, KM Haller, EE AF Kanetake, Fumiya Mukuda, Hidekazu Kitaoka, Yoshio Magishi, Ko-ichi Sugawara, Hitoshi Itoh, Kohei M. Haller, Eugene E. TI Superconducting Characteristics of Filled Skutterudites LaPt4Ge12 and PrPt4Ge12: Ge-73-NQR/NMR Studies SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE filled skutterudite; RPt4Ge12; superconductivity; rattling; NQR; NMR ID RELAXATION AB We report on the superconducting characteristics of the filled skutterudites LaPt4Ge12 (Tc = 8: 3 K) and PrPt4Ge12 (T-c 7.9 K) by Ge-73-nuclear quadrupole resonance (NQR) at a zero field. In PrPt4Ge12, the nuclear spin-lattice relaxation rate (73)(1/T-1) has revealed a coherence peak just below T-c, indicating that the superconductivity of PrPt4Ge12 is accounted for in terms of the conventional BCS regime. The result was consistently reproduced by not only an isotropic s-wave gap model but also an anisotropic s-wave gap model with a point node. In the conventional superconductor LaPt4Ge12, the coherence peak in (73)(1/T-1) is markedly suppressed owing to some damping effect of quasiparticles. We note that the T(c)s of LaPt4Ge12 and PrPt4Ge12 being higher than that of other RPt4Ge12 may be attributed to the larger density of states, not to some local anharmonic phonon modes derived from the possible rattling of R ions. C1 [Kanetake, Fumiya; Mukuda, Hidekazu; Kitaoka, Yoshio] Osaka Univ, Grad Sch Engn Sci, Osaka 5608531, Japan. [Magishi, Ko-ichi] Univ Tokushima, Inst Socioarts & Sci, Tokushima 7708502, Japan. [Sugawara, Hitoshi] Kobe Univ, Grad Sch Sci, Dept Phys, Kobe, Hyogo 6578501, Japan. [Itoh, Kohei M.] Keio Univ, Dept Appl Phys & Physicoinformat, Yokohama, Kanagawa 2238522, Japan. [Haller, Eugene E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kanetake, F (reprint author), Osaka Univ, Grad Sch Engn Sci, Osaka 5608531, Japan. EM kanetake@nmr.mp.es.osaka-u.ac.jp; mukuda@mp.es.osaka-u.ac.jp RI Itoh, Kohei/C-5738-2014 FU Ministry of Education, Culture, Sports, Science and Technology, Japan (MEXT) [20001004, 21102517, 21540339] FX We would like to thank K. Ishida, T. Koyama, and M. Yashima for valuable suggestions and comments. This work was supported by a Grant-in-Aid for Specially Promoted Research (20001004) and for Scientific Research (21102517 and 21540339) and by the Global COE Program (Core Research and Engineering of Advanced Materials-Interdisciplinary Education Center for Materials Science) from the Ministry of Education, Culture, Sports, Science and Technology, Japan (MEXT). NR 18 TC 14 Z9 14 U1 2 U2 21 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 JUN PY 2010 VL 79 IS 6 AR 063702 DI 10.1143/JPSJ.79.063702 PG 4 WC Physics, Multidisciplinary SC Physics GA 607OH UT WOS:000278513100004 ER PT J AU Hall, A Urrea, D Mccloskey, J Beatty, D Roemer, T Hirschfeld, D AF Hall, A. Urrea, D. Mccloskey, J. Beatty, D. Roemer, T. Hirschfeld, D. TI The Effect of Torch Hardware on Particle Temperature and Particle Velocity Distributions in the Powder Flame Spray Process SO JOURNAL OF THERMAL SPRAY TECHNOLOGY LA English DT Article DE diagnostics and control; powder flame spray; torch hardware AB Powder flame spray is a flexible, straightforward process. Particulate feed stock is heated and accelerated using an oxy-fuel flame. Liquid feed stock droplets impact the substrate, deform, and solidify to form a coating. Like other spray processes, coating microstructure and properties are directly related to particle velocity and temperature at the time of impact. Many controllable process inputs affect particle temperature and particle velocity. Data, from a series of designed experiments, exploring these factors and quantifying their significance are reviewed. These data show that multiple process inputs, especially torch hardware, can significantly affect particle temperature and velocity distributions in the powder flame spray process. C1 [Hall, A.; Urrea, D.; Mccloskey, J.; Beatty, D.] Sandia Natl Labs, Joining & Coating Dept, Albuquerque, NM 87185 USA. [Roemer, T.] Ktech Corp Inc, Albuquerque, NM USA. [Hirschfeld, D.] New Mexico Inst Min & Technol, Dept Mat Engn, Socorro, NM 87801 USA. RP Hall, A (reprint author), Sandia Natl Labs, Joining & Coating Dept, POB 5800, Albuquerque, NM 87185 USA. EM achall@sandia.gov FU United States Department of Energy [DE-AC04-94AL85000] FX Sandia is a multi-program laboratory operated by Sandia Corporation for the United States Department of Energy under contract DE-AC04-94AL85000. NR 3 TC 1 Z9 1 U1 0 U2 4 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 JUN PY 2010 VL 19 IS 4 BP 824 EP 827 DI 10.1007/s11666-010-9487-y PG 4 WC Materials Science, Coatings & Films SC Materials Science GA 587WQ UT WOS:000277027000015 ER PT J AU Burnett, JC Lim, KI Calafi, A Rossi, JJ Schaffer, DV Arkin, AP AF Burnett, John C. Lim, Kwang-il Calafi, Arash Rossi, John J. Schaffer, David V. Arkin, Adam P. TI Combinatorial Latency Reactivation for HIV-1 Subtypes and Variants SO JOURNAL OF VIROLOGY LA English DT Article ID HUMAN-IMMUNODEFICIENCY-VIRUS; NF-KAPPA-B; LONG TERMINAL REPEAT; CD4(+) T-CELLS; SUBEROYLANILIDE HYDROXAMIC ACID; HISTONE DEACETYLASE INHIBITORS; RNA-POLYMERASE-II; HUMAN-FACTORS YY1; GENE-EXPRESSION; IN-VITRO AB The eradication of HIV-1 will likely require novel clinical approaches to purge the reservoir of latently infected cells from a patient. We hypothesize that this therapy should target a wide range of latent integration sites, act effectively against viral variants that have acquired mutations in their promoter regions, and function across multiple HIV-1 subtypes. By using primary CD4(+) and Jurkat cell-based in vitro HIV-1 latency models, we observe that single-agent latency reactivation therapy is ineffective against most HIV-1 subtypes. However, we demonstrate that the combination of two clinically promising drugs-namely, prostratin and suberoylanilide hydroxamic acid (SAHA)-overcomes the limitations of single-agent approaches and can act synergistically for many HIV-1 subtypes, including A, B, C, D, and F. Finally, by identifying the proviral integration position of latent Jurkat cell clones, we demonstrate that this drug combination does not significantly enhance the expression of endogenous genes nearest to the proviral integration site, indicating that its effects may be selective. C1 [Burnett, John C.; Lim, Kwang-il; Calafi, Arash; Schaffer, David V.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Burnett, John C.; Lim, Kwang-il; Calafi, Arash; Schaffer, David V.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Schaffer, David V.; Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Schaffer, David V.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Burnett, John C.; Rossi, John J.] Beckman Res Inst City Hope, Div Mol & Cellular Biol, Duarte, CA 91010 USA. RP Schaffer, DV (reprint author), Univ Calif Berkeley, Dept Chem Engn, 274 Stanley Hall,Mail Code 3220, Berkeley, CA 94720 USA. EM schaffer@berkeley.edu; aparkin@lbl.gov RI Arkin, Adam/A-6751-2008; OI Arkin, Adam/0000-0002-4999-2931; Burnett, John/0000-0002-8817-6064 FU University of California (UC); National Institutes of Health [R01-GM73058] FX This work was supported by the University of California (UC) Berkeley Chancellor's Opportunity Fellowship (J.C.B.) and the National Institutes of Health (grant R01-GM73058). NR 99 TC 69 Z9 70 U1 0 U2 6 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X J9 J VIROL JI J. Virol. PD JUN PY 2010 VL 84 IS 12 BP 5958 EP 5974 DI 10.1128/JVI.00161-10 PG 17 WC Virology SC Virology GA 597CQ UT WOS:000277733900011 PM 20357084 ER PT J AU Yeh, WW Rahman, I Hraber, P Coffey, RT Nevidomskyte, D Giri, A Asmal, M Miljkovic, S Daniels, M Whitney, JB Keele, BF Hahn, BH Korber, BT Shaw, GM Seaman, MS Letvin, NL AF Yeh, Wendy W. Rahman, Ishita Hraber, Peter Coffey, Rory T. Nevidomskyte, Daiva Giri, Ayush Asmal, Mohammed Miljkovic, Svetlana Daniels, Marcus Whitney, James B. Keele, Brandon F. Hahn, Beatrice H. Korber, Bette T. Shaw, George M. Seaman, Michael S. Letvin, Norman L. TI Autologous Neutralizing Antibodies to the Transmitted/Founder Viruses Emerge Late after Simian Immunodeficiency Virus SIVmac251 Infection of Rhesus Monkeys SO JOURNAL OF VIROLOGY LA English DT Article ID N-LINKED GLYCOSYLATION; TYPE-1 ENVELOPE GLYCOPROTEINS; SUBTYPE-C INFECTION; MONOCLONAL-ANTIBODIES; SEQUENCE VARIATION; CELL RESPONSES; VARIABLE LOOPS; ENV CLONES; V1 REGION; GP120 AB While the simian immunodeficiency virus (SIV)-infected rhesus monkey is an important animal model for human immunodeficiency virus type 1 (HIV-1) infection of humans, much remains to be learned about the evolution of the humoral immune response in this model. In HIV-1 infection, autologous neutralizing antibodies emerge 2 to 3 months after infection. However, the ontogeny of the SIV-specific neutralizing antibody response in mucosally infected animals has not been defined. We characterized the kinetics of the autologous neutralizing antibody response to the transmitted/founder SIVmac251 using a pseudovirion-based TZM-bl cell assay and monitored env sequence evolution using single-genome amplification in four rhesus animals that were infected via intrarectal inoculations. We show that the SIVmac251 founder viruses induced neutralizing antibodies at 5 to 8 months after infection. Despite their slow emergence and low titers, these neutralizing antibodies selected for escape mutants that harbored substitutions and deletions in variable region 1 (V1), V2, and V4 of Env. The neutralizing antibody response was initially focused on V4 at 5 to 8 months after infection and then targeted V1/V2 and V4 by 16 months. These findings reveal a striking delay in the development of neutralizing antibodies in SIVmac-infected animals, thus raising questions concerning the suitability of SIVmac251 as a challenge strain to screen AIDS vaccines that elicit neutralizing antibodies as a means to prevent virus acquisition. They also illustrate the capacity of the SIVmac quasispecies to modify antigenic determinants in response to very modest titers of neutralizing antibodies. C1 [Yeh, Wendy W.; Rahman, Ishita; Coffey, Rory T.; Nevidomskyte, Daiva; Giri, Ayush; Asmal, Mohammed; Miljkovic, Svetlana; Whitney, James B.; Seaman, Michael S.; Letvin, Norman L.] Harvard Univ, Sch Med, Beth Israel Deaconess Med Ctr, Div Viral Pathogenesis,Dept Med, Boston, MA 02115 USA. [Hraber, Peter; Daniels, Marcus; Korber, Bette T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Keele, Brandon F.; Hahn, Beatrice H.; Shaw, George M.] Univ Alabama, Birmingham, AL 35223 USA. RP Letvin, NL (reprint author), Harvard Univ, Sch Med, Beth Israel Deaconess Med Ctr, Div Viral Pathogenesis,Dept Med, 330 Brookline Ave, Boston, MA 02115 USA. EM nletvin@bidmc.harvard.edu OI Korber, Bette/0000-0002-2026-5757; Hraber, Peter/0000-0002-2920-4897 FU NIH NIAID PHS [K08-AI069995, AI087383, AI067854]; Center for HIV/AIDS Vaccine Immunology; Bill and Melinda Gates Collaboration for AIDS Vaccine Discovery Vaccine Immune Monitoring Consortium [38619] FX This work was supported by NIH NIAID PHS grants K08-AI069995 (W.W.Y.), AI087383 (G. M. S.), and AI067854 (I. R., B. H. H., B. T. K., and N.L.L.); the Center for HIV/AIDS Vaccine Immunology; and Bill and Melinda Gates Collaboration for AIDS Vaccine Discovery Vaccine Immune Monitoring Consortium Grant 38619 (M. S. S.). NR 76 TC 21 Z9 21 U1 4 U2 5 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X J9 J VIROL JI J. Virol. PD JUN PY 2010 VL 84 IS 12 BP 6018 EP 6032 DI 10.1128/JVI.02741-09 PG 15 WC Virology SC Virology GA 597CQ UT WOS:000277733900016 PM 20357097 ER PT J AU Victoria, JG Wang, CL Jones, MS Jaing, C McLoughlin, K Gardner, S Delwart, EL AF Victoria, Joseph G. Wang, Chunlin Jones, Morris S. Jaing, Crystal McLoughlin, Kevin Gardner, Shea Delwart, Eric L. TI Viral Nucleic Acids in Live-Attenuated Vaccines: Detection of Minority Variants and an Adventitious Virus SO JOURNAL OF VIROLOGY LA English DT Article ID REVERSE-TRANSCRIPTASE ACTIVITY; PORCINE CIRCOVIRUS TYPE-2; AVIAN-LEUKOSIS VIRUSES; D RETROVIRUS; MUMPS VACCINES; GENE-SEQUENCES; CELL-CULTURES; CHICKEN; MEASLES; TRANSMISSION AB Metagenomics and a panmicrobial microarray were used to examine eight live-attenuated viral vaccines. Viral nucleic acids in trivalent oral poliovirus (OPV), rubella, measles, yellow fever, varicella-zoster, multivalent measles/mumps/rubella, and two rotavirus live vaccines were partially purified, randomly amplified, and pyrosequenced. Over half a million sequence reads were generated covering from 20 to 99% of the attenuated viral genomes at depths reaching up to 8,000 reads per nucleotides. Mutations and minority variants, relative to vaccine strains, not known to affect attenuation were detected in OPV, mumps virus, and varicella-zoster virus. The anticipated detection of endogenous retroviral sequences from the producer avian and primate cells was confirmed. Avian leukosis virus (ALV), previously shown to be noninfectious for humans, was present as RNA in viral particles, while simian retrovirus (SRV) was present as genetically defective DNA. Rotarix, an orally administered rotavirus vaccine, contained porcine circovirus-1 (PCV1), a highly prevalent nonpathogenic pig virus, which has not been shown to be infectious in humans. Hybridization of vaccine nucleic acids to a panmicrobial microarray confirmed the presence of endogenous retroviral and PCV1 nucleic acids. Deep sequencing and microarrays can therefore detect attenuated virus sequence changes, minority variants, and adventitious viruses and help maintain the current safety record of live-attenuated viral vaccines. C1 [Victoria, Joseph G.; Delwart, Eric L.] BSRI, San Francisco, CA 94118 USA. [Victoria, Joseph G.; Delwart, Eric L.] Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94118 USA. [Wang, Chunlin] Stanford Genome Technol Ctr, Palo Alto, CA 94304 USA. [Jones, Morris S.] David Grant USAF Med Ctr, Clin Invest Facil, Travis AFB, CA 94535 USA. [Jaing, Crystal; McLoughlin, Kevin; Gardner, Shea] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Delwart, EL (reprint author), BSRI, 270 Masonic Ave, San Francisco, CA 94118 USA. EM delwarte@medicine.ucsf.edu OI Delwart, Eric/0000-0002-6296-4484 FU NHLBI [R01HL083254]; U.S. Department of Energy [LLNL 02-SI-008, DE-AC52-07NA27344]; U.S. Air Force Surgeon General-approved Clinical Investigation [FDG20040024E] FX We thank for support NHLBI R01HL083254 grant to E. L. D., Blood Systems Research Institute, Laboratory Directed Research and Development Program at the Lawrence Livermore National Laboratory (Project LLNL 02-SI-008 under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344), and U.S. Air Force Surgeon General-approved Clinical Investigation no. FDG20040024E. NR 38 TC 143 Z9 154 U1 1 U2 19 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X J9 J VIROL JI J. Virol. PD JUN PY 2010 VL 84 IS 12 BP 6033 EP 6040 DI 10.1128/JVI.02690-09 PG 8 WC Virology SC Virology GA 597CQ UT WOS:000277733900017 PM 20375174 ER PT J AU Ribeiro, RM Qin, L Chavez, LL Li, DF Self, SG Perelson, AS AF Ribeiro, Ruy M. Qin, Li Chavez, Leslie L. Li, Dongfeng Self, Steven G. Perelson, Alan S. TI Estimation of the Initial Viral Growth Rate and Basic Reproductive Number during Acute HIV-1 Infection SO JOURNAL OF VIROLOGY LA English DT Article ID SIMIAN IMMUNODEFICIENCY VIRUS; INTRACELLULAR DELAY; IN-VIVO; ANTIRETROVIRAL THERAPY; CLEARANCE RATE; DYNAMICS; VIREMIA; PLASMA; REPLICATION; LOAD AB During primary infection, the number of HIV-1 particles in plasma increases rapidly, reaches a peak, and then declines until it reaches a set point level. Understanding the kinetics of primary infection, and its effect on the establishment of chronic infection, is important in defining the early pathogenesis of HIV. We studied the viral dynamics of very early HIV-1 infection in 47 subjects identified through plasma donation screening. We calculated how fast the viral load increases and how variable this parameter is among individuals. We also estimated the basic reproductive ratio, the number of new infected cells generated by an infectious cell at the start of infection when target cells are not limiting. The initial viral doubling time had a median of 0.65 days with an interquartile range of 0.56 to 0.91 days. The median basic reproductive ratio was 8.0 with an interquartile range of 4.9 to 11. In 15 patients, we also observed the postpeak decay of plasma virus and found that the virus decay occurred at a median rate of 0.60 day(-1), corresponding to a half-life of 1.2 days. The median peak viral load was 5.8 log(10) HIV-1 RNA copies/ml, and it was reached 14 days after the virus was quantifiable with an assay, with a lower limit of detection of 50 copies/ml. These results characterize the early plasma viral dynamics in acute HIV infection better than it has been possible thus far. They also better define the challenge that the immune response (or therapeutic intervention) has to overcome to defeat HIV at this early stage. C1 [Ribeiro, Ruy M.; Chavez, Leslie L.; Perelson, Alan S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. [Li, Dongfeng] Peking Univ, Dept Probabil & Stat, Sch Math Sci, Beijing 100871, Peoples R China. [Qin, Li; Self, Steven G.] Univ Washington, Dept Biostat, Seattle, WA 98105 USA. [Qin, Li; Self, Steven G.] Fred Hutchinson Canc Res Ctr, Vaccine & Infect Dis Inst, Stat Ctr HIV AIDS Res & Prevent SCHARP, Seattle, WA 98109 USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, MS K710, Los Alamos, NM 87545 USA. EM asp@lanl.gov OI Ribeiro, Ruy/0000-0002-3988-8241 FU U.S. Department of Energy [DE-AC52-06NA25396]; NIH [AI67854, AI28433, RR06555] FX Portions of this work were done under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396 and supported by the NIH through the Center for HIV/AIDS Vaccine Immunology (AI67854) and grants AI28433 and RR06555. NR 32 TC 81 Z9 81 U1 3 U2 31 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X J9 J VIROL JI J. Virol. PD JUN PY 2010 VL 84 IS 12 BP 6096 EP 6102 DI 10.1128/JVI.00127-10 PG 7 WC Virology SC Virology GA 597CQ UT WOS:000277733900023 PM 20357090 ER PT J AU Barbour, AM Telling, MTF Larese, JZ AF Barbour, Andi M. Telling, Mark T. F. Larese, J. Z. TI Investigation of the Behavior of Ethylene Molecular Films Using High Resolution Adsorption Isotherms and Neutron Scattering SO LANGMUIR LA English DT Article ID MULTILAYER ADSORPTION; LUNG SURFACTANT; GRAPHITE; TRANSITIONS; DIFFRACTION; ORIENTATION; REFLECTION; ENTROPY; LAYERS; HEATS AB The wetting behavior of ethylene adsorbed on MgO(100) was investigated from 83-135 K using high resolution volumetric adsorption isotherms. The results are compared to ethylene adsorption on graphite, a prototype adsorption system, in an effort to gain further insight into the forces that drive the observed film growth. Layering transitions for ethylene on MgO(100) are observed below the bulk triple point of ethylene (T = 104.0 K). The formation of three discrete adlayers is observed on the MgO(100) surface; onset of the second and third layers occurs at 79.2 +/- 1.3 K and 98.3 +/- 0.9 K, respectively. Thermodynamic quantities such as differential enthalpy and entropy, heat of adsorption, and isosteric heat of adsorption are determined and compared to the previously published values for ethylene on graphite. The average area occupied by a ethylene molecule on MgO(100) is 22.6 +/- 1.1 angstrom(2) molecule(-1). The locations of two phase transitions are identified (i.e., layer critical temperatures at T-c2((n=1)) at 108.6 +/- 1.7 K and T-c2((n=2)) at 116.5 +/- 1.2 K) and a phase diagram is proposed. Preliminary neutron diffraction measurements reveal evidence of a monolayer solid with a lattice constant of similar to 4.2 angstrom. High resolution INS measurements show that the onset to dynamical motion and mono layer melting take place at similar to 35 K and similar to 65 K, respectively. The data reported here exhibit a striking similarity to ethylene on graphite which suggests that molecule-molecule in play an important role in determining the physical properties and growth of molecularly thin ethylene films. C1 [Barbour, Andi M.; Larese, J. Z.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Telling, Mark T. F.] Rutherford Appleton Lab, ISIS, Didcot OX11 0QX, Oxon, England. [Larese, J. Z.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Larese, JZ (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM jzl@utk.edu RI Telling, Mark/F-3294-2014 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC05-00OR22725]; National Science Foundation [DMR-0412231, DMR-0454672]; University of Tennessee FX We would like to thank T. Arnold, C. Brown, J. M. Hastings, T. Jenkins, S. K. Satija. and H. Taub for useful discussion. Work at UT/ORNL (J.Z.L. and A.B.) was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under award DE-AC05-00OR22725, partial travel support (for A.B. and J.Z.L.) provided by the National Science Foundation (DMR-0412231) and University of Tennessee. The work conducted at NCNR utilized facilities that are supported in part by the National Science Foundation under Agreement No. DMR-0454672. The work conducted at ISIS utilized facilities that are supported by the Science and Technology Facilities Council (STFC), U.K. NR 35 TC 4 Z9 4 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUN 1 PY 2010 VL 26 IS 11 BP 8113 EP 8121 DI 10.1021/la9044368 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 599QL UT WOS:000277928100062 PM 20180572 ER PT J AU Botiz, I Martinson, ABF Darling, SB AF Botiz, Ioan Martinson, Alex B. F. Darling, Seth B. TI Minimizing Lateral Domain Collapse in Etched Poly(3-hexylthiophene)-block-Polylactide Thin Films for Improved Optoelectronic.Performance SO LANGMUIR LA English DT Article ID DIBLOCK COPOLYMER TEMPLATES; HETEROJUNCTION SOLAR-CELLS; BLOCK-COPOLYMER; SUPERCRITICAL FLUIDS; SELF-ORGANIZATION; NANOWIRE ARRAYS; POLYMERS; DESIGN; NANOPARTICLES; FABRICATION AB Thin films of poly(3-hexylthiophene)-Noek-polylactide block copolymer exhibiting ordered lamellar morphology have been selectively etched to produce structured films that could be used in fabrication of idealized bulk heterojunctions for organic or hybrid solar energy devices. Etched poly(3-hexylthiophene) Films, after being rinsed in water to remove degraded polylactide fragments, were dried using various drying approaches that reduce or alleviate surface tension forces generated during liquid evaporation from the film. As emphasized by atomic force microscopy, X-ray diffraction, and emission photoluminescence, a reduction in domain collapse leads to improved molecular ordering in the plane perpendicular to the substrate and enhanced photoluminescence quenching when paired with fullerene Cm hydroxide electron acceptors. C1 [Botiz, Ioan; Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Martinson, Alex B. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Martinson, Alex B. F.] Argonne Natl Lab, Argonne NW Solar Energy Res Ctr, Argonne, IL 60439 USA. RP Darling, SB (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM darling@anl.gov RI Botiz, Ioan/I-3209-2012; OI Botiz, Ioan/0000-0002-8555-1084; Martinson, Alex/0000-0003-3916-1672 FU Center for Nanoscale Materials; U.S. Department of Energy, Office of Science. Office of Basic Energy Sciences [DE-ACO2-06C1-111357] FX The authors thank B. Fisher for assistance with the X-ray diffraction. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science. Office of Basic Energy Sciences, under Contract No. DE-ACO2-06C1-111357. NR 42 TC 31 Z9 31 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUN 1 PY 2010 VL 26 IS 11 BP 8756 EP 8761 DI 10.1021/la904515z PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 599QL UT WOS:000277928100146 PM 20146485 ER PT J AU Xu, P Mack, NH Jeon, SH Doorn, SK Han, XJ Wang, HL AF Xu, Ping Mack, Nathan H. Jeon, Sea-Ho Doorn, Stephen K. Han, Xijiang Wang, Hsin-Lin TI Facile Fabrication of Homogeneous 3D Silver Nanostructures on Gold-Supported Polyaniline Membranes as Promising SERS Substrates SO LANGMUIR LA English DT Article ID ENHANCED RAMAN-SCATTERING; CATALYTIC-PROPERTIES; NANOPARTICLE DIMERS; HOT-SPOTS; SPECTROSCOPY; MOLECULES; DNA; NANOWIRES; POLARIZATION; NANOCRYSTALS AB We report a facile synthesis of large-area homogeneous three-dimensional (3D) A a nanostructures on Au-supported polyaniline (PANI) membranes through a direct chemical reduction of metal ions by PANI. The citric acid absorbed on the Au nuclei that are prefabricated on PAN I membranes directs Ag nanoaprticles (AgNPs) to self-assemble into 3D Ag nanosheet structures. The fabricated hybrid metal nanostructures display uniform surface-enhanced Raman scattering (SERS) responses throughout the whole surface area, with an average enhancement factor of 10(6)-10(7). The nanocavities formed by the stereotypical stacking of these Ag nanosheets and the junctions and gaps between two neighboring AgNPs are believed to be responsible for the strong SERS response upon plasmon absorption. These homogeneous metal nanostructure decorated PANI membranes can be used as highly efficient SERS substrates for sensitive detection of chemical and biological analytes. C1 [Xu, Ping; Han, Xijiang] Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. [Xu, Ping; Mack, Nathan H.; Jeon, Sea-Ho; Doorn, Stephen K.; Wang, Hsin-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Han, XJ (reprint author), Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. EM 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); NSF of China [20776032]; Laboratory Directed Research and Development (LDRD), DOE; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering; National Nanotechnology Enterprise Development Center (NNEDC) FX P.X. thanks the support from the Joint Educational Ph.D. Program of Chinese Scholarship Council (CSC) and NSF of China (No. 20776032) and helpful discussions with Prof. Younan Xia, Prof. George C. Schatz, and Prof. Vladimir Kitaev about the growth of metal structures. H.L.W. acknowledges the financial support from Laboratory Directed Research and Development (LDRD) fund under the auspices of DOE. Partial financial support by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, and by the National Nanotechnology Enterprise Development Center (NNEDC). This work was performed in part at the U.S. Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000). NR 39 TC 60 Z9 62 U1 8 U2 121 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUN 1 PY 2010 VL 26 IS 11 BP 8882 EP 8886 DI 10.1021/la904617p PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 599QL UT WOS:000277928100162 PM 20158171 ER PT J AU DeVries, MJ Pellin, MJ Hupp, JT AF DeVries, Michael J. Pellin, Michael J. Hupp, Joseph T. TI Dye-Sensitized Solar Cells: Driving-Force Effects on Electron Recombination Dynamics with Cobalt-Based Shuttles SO LANGMUIR LA English DT Article ID ATOMIC LAYER DEPOSITION; CHARGE-TRANSFER; PERFORMANCE ENHANCEMENT; PHOTOVOLTAIC PROPERTIES; MOLECULAR-STRUCTURE; TRANSFER KINETICS; RATE CONSTANTS; TIO2 FILMS; COMPLEXES; PHOTOSENSITIZATION AB A series of cobalt-containing redox couples, based on [Co(1,10-phenanthroline)(3)](ClO4)(2) and its derivatives, were prepared for use as regenerators/shuttles in dye-sensitized solar cells featuring modified TiO2 photoelectrodes. Surface modification and trap-state passivation of the TiO2 nanoparticle film electrodes were accomplished via atomic layer deposition of an ultrathin alumina coating. Electron lifetimes were then extracted from open-circuit voltage decay measurements. Cells employing alumina barrier/passivation layers exhibited higher open-circuit voltages as shuttles with more positive redox potentials were used, with the Co(5-nitro-phen)(3)(3+ 2+) couple exhibiting the highest V-oc (0.844 V). Analysis of the open-circuit voltages and electron lifetimes indicate Marcus normal-region behavior for back electron transfer front the TiO2 photoanode to these compounds. C1 [Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Hupp, JT (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. RI Pellin, Michael/B-5897-2008; Hupp, Joseph/K-8844-2012; OI Pellin, Michael/0000-0002-8149-9768; Hupp, Joseph/0000-0003-3982-9812; Vermeer, Michael/0000-0002-7156-9099 FU U.S. Department of Energy's Office of Science [DE-FG87ER13808]; Argonne National Laboratory FX We thank Dr. Alex Martinson for helpful discussions. We gratefully acknowledge the U.S. Department of Energy's Office of Science (Grant DE-FG87ER13808) and Argonne National Laboratory for financial support of our research. NR 44 TC 78 Z9 78 U1 0 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUN 1 PY 2010 VL 26 IS 11 BP 9082 EP 9087 DI 10.1021/la904643t PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 599QL UT WOS:000277928100189 PM 20148512 ER PT J AU Morrison, RJ Peshut, PJ Lasorsa, BK AF Morrison, R. J. Peshut, P. J. Lasorsa, Brenda K. TI Elemental composition and mineralogical characteristics of coastal marine sediments of Tutuila, American Samoa SO MARINE POLLUTION BULLETIN LA English DT Article DE Trace metals; Coastal sediments; Basalt volcanics; Reef materials; American Samoa ID TRACE-METALS; AUSTRALIA; FIJI; ENVIRONMENT; LAGOON; HARBOR; SUVA; GUAM; BAY AB Surface sediment samples were collected from 5 pristine coastal areas and 1 potentially contaminated coastal site on Tutuila, the main island of American Samoa, an isolated island group in the South Pacific Ocean. Samples were analysed for total element analysis (15 elements) and mineralogy. The results indicated no evidence of trace element contamination at any site, including Pago Pago Harbour. Inter-site variations could be explained assuming the sediments consisted predominantly of coralline sand and rubble with varying quantities of basaltic materials derived from local catchments. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Morrison, R. J.; Peshut, P. J.] Univ Wollongong, Sch Earth & Environm Sci, GeoQuEST Res Ctr, Wollongong, NSW 2522, Australia. [Lasorsa, Brenda K.] Battelle Pacific NW Labs, Sequim, WA USA. RP Morrison, RJ (reprint author), Univ Wollongong, Sch Earth & Environm Sci, GeoQuEST Res Ctr, Wollongong, NSW 2522, Australia. EM johnm@uow.edu.au FU US EPA; American Samoa EPA; US EPA, San Francisco FX This work was funded by the US EPA and supported by the American Samoa EPA. Thanks to Carl Goldstein (US EPA, San Francisco) for his enthusiastic support. Howard Dunham and the crew of the Moon Divers (Tutuila) assisted with the sample collection. All laboratory analyses for metals were conducted by the Marine Sciences Laboratory at Battelle Pacific Northwest Laboratories, Sequim, Washington, USA. We would like to thank the staff there for their assistance. NR 32 TC 5 Z9 5 U1 0 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0025-326X EI 1879-3363 J9 MAR POLLUT BULL JI Mar. Pollut. Bull. PD JUN PY 2010 VL 60 IS 6 BP 925 EP 930 DI 10.1016/j.marpolbul.2010.04.006 PG 6 WC Environmental Sciences; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA 624EJ UT WOS:000279798800024 PM 20452626 ER PT J AU Xing, Q Kramer, MJ Wu, D Lograsso, TA AF Xing, Q. Kramer, M. J. Wu, D. Lograsso, T. A. TI Influence of surface oxidation on transmission electron microscopy characterization of Fe-Ga alloys SO MATERIALS CHARACTERIZATION LA English DT Article DE Iron; Gallium; Oxide; Dark-field imaging; Fourier transform; High-resolution electron microscopy (HREM) ID IMAGES AB Fe-Ga alloys are rapidly oxidized when exposed in air, forming both amorphous and crystalline surface oxides. These oxides hinder the observation of the ordered phases of B2 and D0(3) in Fe-Ga alloys by dark-field imaging and high-resolution imaging of transmission electron microscopy (TEM) techniques. Proper imaging techniques and reduction of surface oxides are necessary to obtain representative microstructural features to the bulk alloys by TEM. (C) 2010 Elsevier Inc. All rights reserved. C1 [Xing, Q.; Kramer, M. J.; Wu, D.; Lograsso, T. A.] Ames Lab, Div Engn & Mat Sci, Ames, IA 50011 USA. RP Xing, Q (reprint author), Ames Lab, Div Engn & Mat Sci, Ames, IA 50011 USA. EM qfxingtem@gmail.com FU U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering; Iowa State University [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering. The research was performed at the Ames Laboratory which is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 16 TC 1 Z9 1 U1 1 U2 5 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 J9 MATER CHARACT JI Mater. Charact. PD JUN PY 2010 VL 61 IS 6 BP 598 EP 602 DI 10.1016/j.matchar.2010.03.004 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA 616ND UT WOS:000279215200002 ER PT J AU Buchheit, TE Vogler, TJ AF Buchheit, T. E. Vogler, T. J. TI Measurement of ceramic powders using instrumented indentation and correlation with their dynamic response SO MECHANICS OF MATERIALS LA English DT Article DE Nanoindentation; Dynamic properties; Ceramic powders; Ceramic properties ID CRYSTAL ELASTIC-CONSTANTS; SPHERICAL INDENTATION; SUPERHARD MATERIALS; RESIDUAL-STRESS; PLASTIC SOLIDS; BORON-CARBIDE; SHOCK-WAVE; HARDNESS; RESISTANCE; CAVITY AB This article discusses an experimental approach for measuring the properties of individual powder particles sized between 25 mu m and 100 mu m of four common very hard ceramic materials: tungsten carbide, alumina, boron carbide, and silicon carbide. Fused silica is also investigated as the reference material. Experiments on the individual powder particles were performed to a depth of 100 nm and critically compared against consolidated compacts of the same materials. To draw a correlation between the instrumented indentation measurement and their dynamic properties, this investigation exploits the low modulus to hardness ratio of these materials, whether tested as powder or in consolidated form. The indentation experiments, as they were performed in this study, lie within a regime that allows the use of the expanding cavity model to provide a more rigorous mechanical analysis to the results. Through the use of the expanding cavity model framework, this article concludes by discussing the plausibility of a relationship between the hardness of the individual powder particles, static and dynamic strength, and the high rate deformation behavior of compacts fabricated from these hard ceramic powders. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Buchheit, T. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. Sandia Natl Labs, Livermore, CA 94551 USA. RP Buchheit, TE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tebuchh@sandia.gov FU United States Department of Energy [DE-AC04-94AL85000] FX The authors would like to thank Alice Kilgo and Robert Wright for the careful metallographic sample preparation for all of the powder samples tested in this investigation and R. Allen Roach for a careful manuscript review. 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 46 TC 10 Z9 10 U1 3 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-6636 J9 MECH MATER JI Mech. Mater. PD JUN PY 2010 VL 42 IS 6 BP 599 EP 614 DI 10.1016/j.mechmat.2010.02.007 PG 16 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 614ZT UT WOS:000279099200002 ER PT J AU Yang, Y Chen, YR Sridharan, K Allen, TR AF Yang, Yong Chen, Yiren Sridharan, Kumar Allen, Todd R. TI Evolution of Carbide Precipitates in 2.25Cr-1Mo Steel during Long-Term Service in a Power Plant SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article AB Carbide precipitation from the steel matrix during long-term high-temperature exposure can adversely affect the fracture toughness and high-temperature creep resistance of materials with implications on the performance of power plant components. In the present work, carbide evolution in 2.25Cr-1Mo steel after long-term aging during service was investigated. Boiler pipe samples of this steel were removed from a supercritical water-cooled coal-fired power plant after service times of 17 and 28 years and a mean operational temperature of 810 K (537 A degrees C). The carbide precipitation and coarsening effects were studied using the carbon extraction replica technique followed by analysis using transmission electron microscopy and energy dispersive X-ray spectroscopy. The carbides extracted using an electrolytic technique were also analyzed using X-ray diffraction to evaluate phase transformations of the carbides during long-term service. Small ball punch and Vickers hardness were used to evaluate the changes in mechanical performance after long-term aging during service. C1 [Yang, Yong; Sridharan, Kumar; Allen, Todd R.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Chen, Yiren] Argonne Natl Lab, Argonne, IL 60439 USA. RP Yang, Y (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. EM yyang@cae.wisc.edu OI Allen, Todd/0000-0002-2372-7259 NR 13 TC 3 Z9 5 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD JUN PY 2010 VL 41A IS 6 BP 1441 EP 1447 DI 10.1007/s11661-010-0194-6 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 587VM UT WOS:000277022700008 ER PT J AU Li, L Fu, Q Kors, CA Stewart, L Nollert, P Laible, PD Ismagilov, RF AF Li, Liang Fu, Qiang Kors, Christopher A. Stewart, Lance Nollert, Peter Laible, Philip D. Ismagilov, Rustem F. TI A plug-based microfluidic system for dispensing lipidic cubic phase (LCP) material validated by crystallizing membrane proteins in lipidic mesophases SO MICROFLUIDICS AND NANOFLUIDICS LA English DT Article DE Droplet; Plugs; Lipidic cubic phase; Membrane protein; Protein crystallization ID PHOTOSYNTHETIC REACTION-CENTER; RHODOBACTER-SPHAEROIDES; MUTANT; TIME; POLY(DIMETHYLSILOXANE); RESOLUTION; DROPLETS; RECEPTOR; SCALE AB This article presents a plug-based microfluidic system to dispense nanoliter-volume plugs of lipidic cubic phase (LCP) material and subsequently merge the LCP plugs with aqueous plugs. This system was validated by crystallizing membrane proteins in lipidic mesophases, including LCP. This system allows for accurate dispensing of LCP material in nanoliter volumes, prevents inadvertent phase transitions that may occur due to dehydration by enclosing LCP in plugs, and is compatible with the traditional method of forming LCP material using a membrane protein sample, as shown by the successful crystallization of bacteriorhodopsin from Halobacterium salinarum. Conditions for the formation of LCP plugs were characterized and presented in a phase diagram. This system was also implemented using two different methods of introducing the membrane protein: (1) the traditional method of generating the LCP material using a membrane protein sample and (2) post LCP-formation incorporation (PLI), which involves making LCP material without protein, adding the membrane protein sample externally to the LCP material, and allowing the protein to diffuse into the LCP material or into other lipidic mesophases that may result from phase transitions. Crystals of bacterial photosynthetic reaction centers from Rhodobacter sphaeroides and Blastochloris viridis were obtained using PLI. The plug-based, LCP-assisted microfluidic system, combined with the PLI method for introducing membrane protein into LCP, should be useful for minimizing consumption of samples and broadening the screening of parameter space in membrane protein crystallization. C1 [Li, Liang; Fu, Qiang; Ismagilov, Rustem F.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Kors, Christopher A.; Laible, Philip D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Stewart, Lance] deCODE Biostruct, Accelerated Technol Ctr, Bainbridge Isl, WA 98110 USA. [Nollert, Peter] Emerald BioSyst Inc, Bainbridge Isl, WA 98110 USA. RP Ismagilov, RF (reprint author), Univ Chicago, Dept Chem, 929 E 57th St, Chicago, IL 60637 USA. EM r-ismagilov@uchicago.edu FU National Institute of General Medical Sciences (NIGMS), National Center for Research Resources [U54 GM074961, Y1-GM-1104]; National Institutes of Health Roadmap for Medical Research [R01 GM075827, P01 GM75913]; University of Chicago/Argonne National Laboratory (ANL) Collaborative Seed; U.S. Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357]; National Cancer Institute [Y1-CO-1020] FX This work was supported through Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) funded by the National Institute of General Medical Sciences (NIGMS), National Center for Research Resources under the PSI-2 Specialized Center program (U54 GM074961); the National Institutes of Health Roadmap for Medical Research (R01 GM075827 and P01 GM75913), and University of Chicago/Argonne National Laboratory (ANL) Collaborative Seed Funding. We thank Nina Ponomarenko and James R. Norris at the University of Chicago for samples of Reaction Center from B. viridis. We thank Ray C. Stevens and Peter Kuhn for helpful discussion and Elizabeth B. Haney for contributions in writing and editing this manuscript. Use of the ANL General Medicine and Cancer Institute Collaborative Access Team (GM/CA CAT) beamlines at the Advanced Photon Source was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under Contract No. DE-AC02-06CH11357. GM/CA CAT has been funded in whole or in part with Federal funds from the National Cancer Institute (Y1-CO-1020) and the NIGMS (Y1-GM-1104). NR 37 TC 16 Z9 16 U1 0 U2 13 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1613-4982 J9 MICROFLUID NANOFLUID JI Microfluid. Nanofluid. PD JUN PY 2010 VL 8 IS 6 BP 789 EP 798 DI 10.1007/s10404-009-0512-8 PG 10 WC Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Fluids & Plasmas SC Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 591KI UT WOS:000277298900007 PM 20473353 ER PT J AU Moore, KT AF Moore, Kevin T. TI X-ray and electron microscopy of actinide materials SO MICRON LA English DT Review DE Actinides; Microscopy; Electronic structure; Magnetism; Phase transformation ID CHARGE-DENSITY-WAVE; ENERGY-LOSS SPECTROSCOPY; MAGNETIC CIRCULAR-DICHROISM; SCANNING-TUNNELING-MICROSCOPY; ABSORPTION FINE-STRUCTURE; ELEVATED-TEMPERATURE STM; PU-GA ALLOYS; ALPHA-URANIUM; NEUTRON-DIFFRACTION; PLUTONIUM ALLOYS AB Actinide materials demonstrate a wide variety of interesting physical properties in both bulk and nanoscale form. To better understand these materials, a broad array of microscopy techniques have been employed, including transmission electron microscopy (TEM), electron energy-loss spectroscopy (EELS), energy dispersive X-ray spectroscopy (EDXS), high-angle annular dark-field imaging (HAADF), scanning electron microscopy (SEM), wavelength dispersive X-ray spectroscopy (WDXS), electron back scattered diffraction (EBSD), scanning tunneling microscopy (STM), atomic force microscopy (AFM), and scanning transmission X-ray microscopy (STXM). Here these techniques will be reviewed, highlighting advances made in the physics, materials science, chemistry, and biology of actinide materials through microscopy. Construction of a spin-polarized TEM will be discussed, considering its potential for examining the nanoscale magnetic structure of actinides as well as broader materials and devices, such as those for computational magnetic memory. (C) 2009 Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Moore, KT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM moore78@llnl.gov NR 156 TC 25 Z9 25 U1 9 U2 68 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 JUN PY 2010 VL 41 IS 4 BP 336 EP 358 DI 10.1016/j.micron.2009.12.006 PG 23 WC Microscopy SC Microscopy GA 585BH UT WOS:000276798800009 PM 20071187 ER PT J AU Lin, F Liu, Y Zhong, XY Chen, JH AF Lin, Fang Liu, Yan Zhong, Xiaoyan Chen, Jianghua TI An improved image alignment procedure for high-resolution transmission electron microscopy SO MICRON LA English DT Review DE Image alignment; HRTEM; Exit-wavefunction reconstruction; Image averaging ID EXIT-WAVE RECONSTRUCTION; FOCUS-VARIATION; PHASE RETRIEVAL AB Image alignment is essential for image processing methods such as through-focus exit-avefunction reconstruction and image averaging in high-resolution transmission electron microscopy. Relative image displacements exist in any experimentally recorded image series due to the specimen drifts and image shifts, hence image alignment for correcting the image displacements has to be done prior to any further image processing. The image displacement between two successive images is determined by the correlation function of the two relatively shifted images. Here it is shown that more accurate image alignment can be achieved by using an appropriate aperture to filter the high-frequency components of the images being aligned, especially for a crystalline specimen with little non-periodic information. For the image series of crystalline specimens with little amorphous, the radius of the filter aperture should be as small as possible, so long as it covers the innermost lattice reflections. Testing with an experimental through-focus series of sill 1 01 images, the accuracies of image alignment with different correlation functions are compared with respect to the error functions in through-focus exit-wavefunction reconstruction based on the maximum-likelihood method. Testing with image averaging over noisy experimental images from graphene and carbon-nanotube samples, clear and sharp crystal lattice fringes are recovered after applying optimal image alignment. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Chen, Jianghua] Hunan Univ, Coll Mat Sci & Engn, Ctr High Resolut Electron Microscopy, Changsha 410082, Hunan, Peoples R China. [Lin, Fang; Liu, Yan] S China Agr Univ, Coll Sci, Guangzhou 510642, Guangdong, Peoples R China. [Zhong, Xiaoyan] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Chen, JH (reprint author), Hunan Univ, Coll Mat Sci & Engn, Ctr High Resolut Electron Microscopy, Changsha 410082, Hunan, Peoples R China. EM linfang@scau.edu.cn; jhchen123@hnu.cn FU National Science Foundation of China [60802003, 50771043, 10947126]; South China Agricultural University [4900-K07417]; National Basic Research (973) Program of China [2008CB617608, 2009CB623704]; Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province FX This work is supported by the National Science Foundation of China (Nos. 60802003, 50771043, and 10947126) and President Fund of South China Agricultural University (No. 4900-K07417), the National Basic Research (973) Program of China (Nos. 2008CB617608 and 2009CB623704), and the Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province. Thank Dr. Jin Chuan-Hong for providing the experimental images of graphene and CNT samples. NR 19 TC 1 Z9 1 U1 0 U2 18 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 JUN PY 2010 VL 41 IS 4 BP 367 EP 372 DI 10.1016/j.micron.2010.01.001 PG 6 WC Microscopy SC Microscopy GA 585BH UT WOS:000276798800011 PM 20149668 ER PT J AU Parish, CM Brewer, LN AF Parish, Chad M. Brewer, Luke N. TI Key Parameters Affecting Quantitative Analysis of STEM-EDS Spectrum Images SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE STEM; X-ray; spectrum imaging; multivariate statistics; PCA; EDS ID MULTIVARIATE STATISTICAL-ANALYSIS; TRANSMISSION ELECTRON-MICROSCOPE; PLZT THIN-FILMS; CHEMICAL-ANALYSIS; INFORMATION; MICROANALYSIS; SPECTROSCOPY; SIMULATION; NOISE; XPS AB In this article, we use simulated and experimental data to explore how three operator-controllable parameters-(1) signal level, (2) detector resolution, and (3) number of factors chosen for analysis-affect quantitative analyses of scanning transmission electron microscopy-energy dispersive X-ray spectroscopy spectrum images processed by principal component analysis (PCA). We find that improvements in both signal level and detector resolution improve the precision of quantitative analyses, but that signal level is the most important. We also find that if the rank of the PCA solution is not chosen properly, it may be possible to improperly fit the underlying data and degrade the accuracy of results. Additionally, precision is degraded in the case when too many factors are included in the model. C1 [Parish, Chad M.; Brewer, Luke N.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Parish, CM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM parishcm@ornl.gov RI Parish, Chad/J-8381-2013 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a LockheedMartin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Geoff Brennecka provided the PLZT sample. Chris Stork, Paul Kotula, and Mike Keenan provided useful criticism and comments. NR 46 TC 7 Z9 7 U1 0 U2 19 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD JUN PY 2010 VL 16 IS 3 BP 259 EP 272 DI 10.1017/S1431927610000267 PG 14 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 599HS UT WOS:000277902600004 PM 20374685 ER PT J AU Marksteiner, QR Carlsten, B Russell, S AF Marksteiner, Quinn R. Carlsten, Bruce Russell, Steve TI EFFICIENT GENERATION OF RF USING A BIASED SOLITON GENERATING NONLINEAR TRANSMISSION LINE WITH A BIPOLAR INPUT SO MICROWAVE AND OPTICAL TECHNOLOGY LETTERS LA English DT Article DE soliton; nonlinear transmission line; RF generation; efficiency; bipolar AB A method of generating more efficient RF from a soliton generating nonlinear lumped element, transmission line (NLETL) is presented. A bipolar input is coupled into an NLETL, which is DC. biased to the amplitude of the input pulse. The input evolves into a soliton containing pulse that would take twice as much power to produce from a unipolar input. Simulations demonstrate that, this method increases the maximum RF generating efficiency of an NLETL from 113 for a unipolar input pulse to 213 for a bipolar input pulse to a biased line, in agreement with simple analytical arguments. (C) 2010 Wiley Periodicals, Inc. Microwave Opt Technol Lett 52: 1411-1413, 2010: Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/mop.25170 C1 [Marksteiner, Quinn R.; Carlsten, Bruce; Russell, Steve] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Marksteiner, QR (reprint author), Los Alamos Natl Lab, MS H851,ISR 6, Los Alamos, NM 87544 USA. EM qrm@lanl.gov OI Carlsten, Bruce/0000-0001-5619-907X FU JNLWD FX The authors would like to thank Max Light, Greg Dale, Lawrence Earley, and Fred Mueller for useful discussions. This project was supported by the JNLWD. NR 9 TC 6 Z9 6 U1 0 U2 5 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0895-2477 J9 MICROW OPT TECHN LET JI Microw. Opt. Technol. Lett. PD JUN PY 2010 VL 52 IS 6 BP 1411 EP 1413 DI 10.1002/mop.25170 PG 3 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA 585NX UT WOS:000276833800055 ER PT J AU Delph, TJ Zimmerman, JA AF Delph, T. J. Zimmerman, J. A. TI Prediction of instabilities at the atomic scale SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID DISLOCATION NUCLEATION; ELASTIC-CONSTANTS; LATTICE STATICS; CRITERION; CRYSTALS; METALS; STABILITY; SOLIDS AB Atomic-scale instabilities, in which atomic bonds are broken and reform as the body shifts into a lower-energy configuration, are responsible for a wide range of material behaviours of interest. Building upon previous work, we outline here the construction of a criterion for the prediction of such instabilities. The criterion is implemented within the context of the well-known embedded atom method family of interatomic potentials. We present two examples of the application of this criterion: oriented cavitation in an FCC crystal due to uniform triaxial stretching and dislocation nucleation due to nanoindentation of the (0 0 1) face of an FCC crystal. C1 [Delph, T. J.] Lehigh Univ, Dept Mech Engn & Mech, Bethlehem, PA 18015 USA. [Zimmerman, J. A.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. RP Delph, TJ (reprint author), Lehigh Univ, Dept Mech Engn & Mech, Bethlehem, PA 18015 USA. EM tjd1@lehigh.edu; jzimmer@sandia.gov RI Zimmerman, Jonathan/A-8019-2012 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors are grateful to J M Rickman for helpful conversations. 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 28 TC 10 Z9 11 U1 1 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2010 VL 18 IS 4 AR 045008 DI 10.1088/0965-0393/18/4/045008 PG 20 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 588QF UT WOS:000277087400008 ER PT J AU Hochhalter, JD Littlewood, DJ Christ, RJ Veilleux, MG Bozek, JE Ingraffea, AR Maniatty, AM AF Hochhalter, J. D. Littlewood, D. J. Christ, R. J., Jr. Veilleux, M. G. Bozek, J. E. Ingraffea, A. R. Maniatty, A. M. TI A geometric approach to modeling microstructurally small fatigue crack formation: II. Physically based modeling of microstructure-dependent slip localization and actuation of the crack nucleation mechanism in AA 7075-T651 SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID STRUCTURALLY SMALL CRACKS; CRITICAL PLANE APPROACH; ALUMINUM-ALLOY; CRYSTAL PLASTICITY; LIFE PREDICTION; CYCLE FATIGUE; GROWTH; INCLUSIONS; INITIATION; DAMAGE AB The objective of this paper is to develop further a framework for computationally modeling microstructurally small fatigue crack growth in AA 7075-T651 (Bozek et al 2008 Modelling Simul. Mater. Sci. 16 065007). The focus is on the nucleation event, when a crack extends from within a second-phase particle into a surrounding grain, since this has been observed to be an initiating mechanism for fatigue crack growth in this alloy. It is hypothesized that nucleation can be predicted by computing a non-local nucleation metric near the crack front. The hypothesis is tested by employing a combination of experimentation and finite element modeling in which various slip-based and energy-based nucleation metrics are tested for validity, where each metric is derived from a continuum crystal plasticity formulation. To investigate each metric, a non-local procedure is developed for the calculation of nucleation metrics in the neighborhood of a crack front. Initially, an idealized baseline model consisting of a single grain containing a semi-ellipsoidal surface particle is studied to investigate the dependence of each nucleation metric on lattice orientation, number of load cycles and non-local regularization method. This is followed by a comparison of experimental observations and computational results for microstructural models constructed by replicating the observed microstructural geometry near second-phase particles in fatigue specimens. It is found that orientation strongly influences the direction of slip localization and, as a result, influences the nucleation mechanism. Also, the baseline models, replication models and past experimental observation consistently suggest that a set of particular grain orientations is most likely to nucleate fatigue cracks. It is found that a continuum crystal plasticity model and a non-local nucleation metric can be used to predict the nucleation event in AA 7075-T651. However, nucleation metric threshold values that correspond to various nucleation governing mechanisms must be calibrated. C1 [Hochhalter, J. D.; Veilleux, M. G.; Bozek, J. E.; Ingraffea, A. R.] Cornell Univ, Cornell Fracture Grp, Ithaca, NY 14853 USA. [Littlewood, D. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Christ, R. J., Jr.] Northrop Grumman Integrated Syst, Technol Dev, Bethpage, NY 11714 USA. [Maniatty, A. M.] Rensselaer Polytech Inst, Troy, NY 12180 USA. RP Hochhalter, JD (reprint author), NASA, Langley Res Ctr, Durabil Damage Tolerance & Reliabil Branch, MS 188E, Hampton, VA 23681 USA. EM Jacob.D.Hochhalter@nasa.gov FU Defense Advanced Research Projects Agency [HR0011-04-C-0003]; NASA [ARMD-NNX07AB69A] FX This paper is dedicated to Dr John Papazian, who passed away before seeing its publication. John assembled, and was inspirational leader of, our research team. His keen insights, always timely suggestions and warm collegiality will be missed. The authors would also like to thank Professor Anthony Rollett for his involved discussions and guidance. This work is partially sponsored by the Defense Advanced Research Projects Agency under contract HR0011-04-C-0003. Dr Leo Christodoulou is the DARPA Program Manager. This work is also partially funded by NASA under contract ARMD-NNX07AB69A. Dr Ed Glaessgen is the NASA Contract Monitor. The simulations needed to complete this study were carried out at NASA LaRC computing facilities. NR 35 TC 21 Z9 21 U1 2 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2010 VL 18 IS 4 AR 045004 DI 10.1088/0965-0393/18/4/045004 PG 33 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 588QF UT WOS:000277087400004 ER PT J AU Lebel, EA Boukamp, P Tafrov, ST AF Lebel, Emily A. Boukamp, Petra Tafrov, Stefan T. TI Irradiation with heavy-ion particles changes the cellular distribution of human histone acetyltransferase HAT1 SO MOLECULAR AND CELLULAR BIOCHEMISTRY LA English DT Article DE Hat1; Radiation; HZE particles; DNA repair ID DOUBLE-STRAND BREAKS; OXIDATIVE DNA-DAMAGE; PROTEIN-KINASE; SIGNALING PATHWAYS; COMET ASSAY; HUMAN-CELLS; B COMPLEX; IN-VIVO; REPAIR; RADIATION AB Hat1 was the first histone acetyltransferase identified; however, its biological function is still unclear. In this report, it is shown for the first time that human Hat1 has two isoforms. Isoform a has 418 amino acids (aa) and is localized exclusively in the nuclear matrix of normal human keratinocytes (NHKs). Isoform b has 334 aa and is located in the cytoplasm, the nucleoplasm, attached to the chromatin and to the nuclear matrix. Immunohistochemical analyses revealed that the bulk of Hat1 is confined to the nucleus, with much lesser amounts in the cytoplasm. Cells undergoing mitotic division have an elevated amount of Hat1 compared to those that are non-mitotic. Senescent cells, however, exhibit a higher concentration of Hat1 in the cytoplasm compare to proliferating cells and the amount of Hat1 in the nucleus decreases with the progression of senescence. NHKs exposed to hydrogen peroxide (H(2)O(2)) or to a beam of high mass and energy ion particles displayed bright nuclear staining for Hat1, a phenotype that was not observed in NHKs exposed to gamma-rays. We established that the enhanced nuclear staining for Hat1 in response to these treatments is regulated by the PI3K and the mitogen-activated protein kinase signaling pathways. Our observations clearly implicate Hat1 in the cellular response assuring the survival of the treated cells. C1 [Lebel, Emily A.; Tafrov, Stefan T.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Boukamp, Petra] Deutsch Krebsforschungszentrum, German Canc Res Ctr, D-69120 Heidelberg, Germany. RP Tafrov, ST (reprint author), Brookhaven Natl Lab, Dept Biol, 50 Bell Ave,Bldg 463, Upton, NY 11973 USA. EM tafrov@bnl.gov FU National Aeronautics and Space Administration under Department of Energy Prime [NNJ08HB63I, DE-AC02-98CH10886]; Department of Energy Prime, Brookhaven National Laboratory [DE-AC02-98CH10886] FX We would like to thank Avril Woodhead for her critical help with the manuscript preparation; Dr. Rolf Sternglanz and Dr. Carl Andersen for their critical reading of the manuscript; Dr. John Sutherland and John Trunk for the Western Blotting detection system; Drs. Adam Rusek, Michael Sivertz, Peter Guida and the entire BNL Medical Department support staff for the invaluable help with these experiments; Dr. Jean Underwood, and Dr. Jeffrey A. Nickerson for sharing protocols for matrix isolation and Dr. Betsy Sutherland for her support of the entire project. This study was supported by a grant from the National Aeronautics and Space Administration NNJ08HB63I under Department of Energy Prime Contract DE-AC02-98CH10886 with the Brookhaven National Laboratory (to S.T.T.) and from the Federal Ministry of Education and Research BMBF 02S8497 (to P.B.). NR 60 TC 7 Z9 8 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0300-8177 J9 MOL CELL BIOCHEM JI Mol. Cell. Biochem. PD JUN PY 2010 VL 339 IS 1-2 BP 271 EP 284 DI 10.1007/s11010-010-0390-0 PG 14 WC Cell Biology SC Cell Biology GA 593DH UT WOS:000277432000026 PM 20148353 ER PT J AU Loots, GG Ovcharenko, I AF Loots, Gabriela G. Ovcharenko, Ivan TI Human Variation in Short Regions Predisposed to Deep Evolutionary Conservation SO MOLECULAR BIOLOGY AND EVOLUTION LA English DT Article DE gene regulation; enhancer evolution; selection and adaptation; sequence conservation ID GENE DESERTS; SEQUENCE COMPARISONS; NONCODING SEQUENCES; DISEASE RISK; EXPRESSION; VERTEBRATE; ENHANCER; ELEMENTS; DATABASE; GENOMES AB The landscape of the human genome consists of millions of short islands of conservation that are 100% conserved across multiple vertebrate genomes (termed "bricks"), the majority of which are located in noncoding regions. Several hundred thousand bricks are deeply conserved reaching the genomes of amphibians and fish. Deep phylogenetic conservation of noncoding DNA has been reported to be strongly associated with the presence of gene regulatory elements, introducing bricks as a proxy to the functional noncoding landscape of the human genome. Here, we report a significant overrepresentation of bricks in the promoters of transcription factors and developmental genes, where the high level of phylogenetic conservation correlates with an increase in brick overrepresentation. We also found that the presence of a brick dictates a predisposition to evolutionary constraint, with only 0.7% of the amniota brick central nucleotides being diverged within the primate lineage-an 11-fold reduction in the divergence rate compared with random expectation. Human single-nucleotide polymorphism (SNP) data explains only 3% of primate-specific variation in amniota bricks, thus arguing for a widespread fixation of brick mutations within the primate lineage and prior to human radiation. This variation, in turn, might have been utilized as a driving force for primate- and hominoid-specific adaptation. We also discovered a pronounced deviation from the evolutionary predisposition in the human lineage, with over 20-fold increase in the substitution rate at brick SNP sites over expected values. In addition, contrary to typical brick mutations, brick variation commonly encountered in the human population displays limited, if any, signatures of negative selection as measured by the minor allele frequency and population differentiation (F-statistical measure) measures. These observations argue for the plasticity of gene regulatory mechanisms in vertebrates-with evidence of strong purifying selection acting on the gene regulatory landscape of the human genome, where widespread advantageous mutations in putative regulatory elements are likely utilized in functional diversification and adaptation of species. C1 [Ovcharenko, Ivan] NIH, Computat Biol Branch, Natl Ctr Biotechnol Informat, Natl Lib Med, Bethesda, MD 20892 USA. [Loots, Gabriela G.] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA USA. RP Ovcharenko, I (reprint author), NIH, Computat Biol Branch, Natl Ctr Biotechnol Informat, Natl Lib Med, Bldg 10, Bethesda, MD 20892 USA. EM ovcharei@ncbi.nlm.nih.gov FU National Institutes of Health (NIH) [HG00396]; U.S. Department of Energy [DE-AC52-07NA27344]; National Library of Medicine, NIH FX G. G. L. was supported by National Institutes of Health (NIH) grant HG003963. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. I.O. was supported by the Intramural Research Program of the National Library of Medicine, NIH. NR 41 TC 6 Z9 6 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0737-4038 J9 MOL BIOL EVOL JI Mol. Biol. Evol. PD JUN PY 2010 VL 27 IS 6 BP 1279 EP 1288 DI 10.1093/molbev/msq011 PG 10 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA 600MX UT WOS:000277991900007 PM 20093432 ER PT J AU Alverson, AJ Wei, XX Rice, DW Stern, DB Barry, K Palmer, JD AF Alverson, Andrew J. Wei, XiaoXin Rice, Danny W. Stern, David B. Barry, Kerrie Palmer, Jeffrey D. TI Insights into the Evolution of Mitochondrial Genome Size from Complete Sequences of Citrullus lanatus and Cucurbita pepo (Cucurbitaceae) SO MOLECULAR BIOLOGY AND EVOLUTION LA English DT Article DE Cucurbitaceae; genome size; mitochondria; mutation rate; RNA editing ID HORIZONTAL GENE-TRANSFER; RNA EDITING SITES; GROUP-I INTRON; PLANT MITOCHONDRIAL; ARABIDOPSIS-THALIANA; DNA-SEQUENCE; CHLAMYDOMONAS-REINHARDTII; NUCLEOTIDE DIVERSITY; CHLOROPLAST GENOMES; ORGANELLAR GENOMES AB The mitochondrial genomes of seed plants are unusually large and vary in size by at least an order of magnitude. Much of this variation occurs within a single family, the Cucurbitaceae, whose genomes range from an estimated 390 to 2,900 kb in size. We sequenced the mitochondrial genomes of Citrullus lanatus (watermelon: 379,236 nt) and Cucurbita pepo (zucchini: 982,833 nt)-the two smallest characterized cucurbit mitochondrial genomes-and determined their RNA editing content. The relatively compact Citrullus mitochondrial genome actually contains more and longer genes and introns, longer segmental duplications, and more discernibly nuclear-derived DNA. The large size of the Cucurbita mitochondrial genome reflects the accumulation of unprecedented amounts of both chloroplast sequences (> 113 kb) and short repeated sequences (> 370 kb). A low mutation rate has been hypothesized to underlie increases in both genome size and RNA editing frequency in plant mitochondria. However, despite its much larger genome, Cucurbita has a significantly higher synonymous substitution rate (and presumably mutation rate) than Citrullus but comparable levels of RNA editing. The evolution of mutation rate, genome size, and RNA editing are apparently decoupled in Cucurbitaceae, reflecting either simple stochastic variation or governance by different factors. C1 [Alverson, Andrew J.; Wei, XiaoXin; Rice, Danny W.; Palmer, Jeffrey D.] Indiana Univ, Dept Biol, Bloomington, IN 47405 USA. [Stern, David B.] Cornell Univ, Boyce Thompson Inst Plant Res, Ithaca, NY 14853 USA. [Barry, Kerrie] DOE Joint Genome Inst, Walnut Creek, CA USA. RP Alverson, AJ (reprint author), Indiana Univ, Dept Biol, Bloomington, IN 47405 USA. EM andy.alverson@gmail.com RI Palmer, Jeffrey/P-6747-2014; OI Palmer, Jeffrey/0000-0002-4626-2220; Alverson, Andrew/0000-0003-1241-2654 FU National Institutes of Health (NIH) [1F32GM080079-01A1, RO1-GM-70612]; METACyt Initiative of Indiana University; Lilly Endowment, Inc.; US Department of Energy's Office of Science, Biological and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396] FX We thank Arnold Bendich, Weilong Hao, Dan Sloan, and two anonymous reviewers for commenting on earlier versions of the manuscript. We thank Stacia Wyman for providing the DOGMA source code and for advice on developing the gene annotation scripts. This work was supported by a National Institutes of Health (NIH) Ruth L. Kirschstein National Research Service Award Post-doctoral Fellowship (1F32GM080079-01A1) to A.J.A., an NIH research grant RO1-GM-70612, and the METACyt Initiative of Indiana University, funded in part through a major grant from the Lilly Endowment, Inc., to J.D.P. This work was 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 Berkeley National Laboratory under contract no. DE-AC02-05CH11231, Lawrence Livermore National Laboratory under contract no. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract no. DE-AC02-06NA25396. NR 83 TC 120 Z9 126 U1 9 U2 29 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0737-4038 J9 MOL BIOL EVOL JI Mol. Biol. Evol. PD JUN PY 2010 VL 27 IS 6 BP 1436 EP 1448 DI 10.1093/molbev/msq029 PG 13 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA 600MX UT WOS:000277991900020 PM 20118192 ER PT J AU Zhang, X Monroe, ME Chen, BW Chin, MH Heibeck, TH Schepmoes, AA Yang, F Petritis, BO Camp, DG Pounds, JG Jacobs, JM Smith, DJ Bigelow, DJ Smith, RD Qian, WJ AF Zhang, Xu Monroe, Matthew E. Chen, Baowei Chin, Mark H. Heibeck, Tyler H. Schepmoes, Athena A. Yang, Feng Petritis, Brianne O. Camp, David G., II Pounds, Joel G. Jacobs, Jon M. Smith, Desmond J. Bigelow, Diana J. Smith, Richard D. Qian, Wei-Jun TI Endogenous 3,4-Dihydroxyphenylalanine and Dopaquinone Modifications on Protein Tyrosine LINKS TO MITOCHONDRIALLY DERIVED OXIDATIVE STRESS VIA HYDROXYL RADICAL SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID TANDEM MASS-SPECTROMETRY; S-NITROSYLATION SITES; IN-VIVO; NITRATED PROTEINS; PROTEOMIC METHOD; METAL-ION; NEURODEGENERATIVE DISEASES; CARDIOVASCULAR-DISEASE; SHOTGUN PROTEOMICS; ACTIN CYTOSKELETON AB Oxidative modifications of protein tyrosines have been implicated in multiple human diseases. Among these modifications, elevations in levels of 3,4-dihydroxyphenylalanine (DOPA), a major product of hydroxyl radical addition to tyrosine, has been observed in a number of pathologies. Here we report the first proteome survey of endogenous site-specific modifications, i.e. DOPA and its further oxidation product dopaquinone in mouse brain and heart tissues. Results from LC-MS/MS analyses included 50 and 14 DOPA-modified tyrosine sites identified from brain and heart, respectively, whereas only a few nitrotyrosine-containing peptides, a more commonly studied marker of oxidative stress, were detectable, suggesting the much higher abundance for DOPA modification as compared with tyrosine nitration. Moreover, 20 and 12 dopaquinone-modified peptides were observed from brain and heart, respectively; nearly one-fourth of these peptides were also observed with DOPA modification on the same sites. For both tissues, these modifications are preferentially found in mitochondrial proteins with metal binding properties, consistent with metal-catalyzed hydroxyl radical formation from mitochondrial superoxide and hydrogen peroxide. These modifications also link to a number of mitochondrially associated and other signaling pathways. Furthermore, many of the modification sites were common sites of previously reported tyrosine phosphorylation, suggesting potential disruption of signaling pathways. Collectively, the results suggest that these modifications are linked with mitochondrially derived oxidative stress and may serve as sensitive markers for disease pathologies. Molecular & Cellular Proteomics 9:1199-1208, 2010. C1 [Zhang, Xu; Monroe, Matthew E.; Chen, Baowei; Heibeck, Tyler H.; Schepmoes, Athena A.; Yang, Feng; Petritis, Brianne O.; Camp, David G., II; Pounds, Joel G.; Jacobs, Jon M.; Bigelow, Diana J.; Smith, Richard D.; Qian, Wei-Jun] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Zhang, Xu; Monroe, Matthew E.; Chen, Baowei; Heibeck, Tyler H.; Schepmoes, Athena A.; Yang, Feng; Petritis, Brianne O.; Camp, David G., II; Pounds, Joel G.; Jacobs, Jon M.; Bigelow, Diana J.; Smith, Richard D.; Qian, Wei-Jun] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Chin, Mark H.; Smith, Desmond J.] UCLA Sch Med, Dept Mol & Med Pharmacol, Los Angeles, CA 90095 USA. RP Qian, WJ (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. EM weijun.qian@pnl.gov RI Qian, Weijun/C-6167-2011; Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Pounds, Joel/0000-0002-6616-1566 FU Center for Novel Biomarkers of Response, National Institutes of Health [ES016015]; Center of Proteomics Research Resource for Integrative Biology [RR018522]; Pacific Northwest National Laboratory Directed Research Development; [R01 NS050148]; [R01 DK074795] FX This work was supported, in whole or in part, by National Institutes of Health Grant ES016015 from the Center for Novel Biomarkers of Response (to J. G. P.), Grant RR018522 from the Center of Proteomics Research Resource for Integrative Biology (to R. D. S.), Grant R01 NS050148 (to D. J. S.), and Grant R01 DK074795 (to R. D. S.). This work was also supported by the Pacific Northwest National Laboratory Directed Research Development program (to W.-J. Q.). NR 61 TC 14 Z9 15 U1 0 U2 5 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 JUN PY 2010 VL 9 IS 6 BP 1199 EP 1208 DI 10.1074/mcp.M900321-MCP200 PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 618ZZ UT WOS:000279396900012 PM 20124354 ER PT J AU Mueller, RS Denef, VJ Kalnejais, LH Suttle, KB Thomas, BC Wilmes, P Smith, RL Nordstrom, DK McCleskey, RB Shah, MB VerBerkmoes, NC Hettich, RL Banfield, JF AF Mueller, Ryan S. Denef, Vincent J. Kalnejais, Linda H. Suttle, K. Blake Thomas, Brian C. Wilmes, Paul Smith, Richard L. Nordstrom, D. Kirk McCleskey, R. Blaine Shah, Manesh B. VerBerkmoes, Nathan C. Hettich, Robert L. Banfield, Jillian F. TI Ecological distribution and population physiology defined by proteomics in a natural microbial community SO MOLECULAR SYSTEMS BIOLOGY LA English DT Article DE community structure; metaproteomics; microbial ecology; model community; succession ID ACID-MINE DRAINAGE; SHOTGUN PROTEOMICS; IRON MOUNTAIN; BACTERIA; PROTEIN; METAGENOMICS; ENVIRONMENT; MECHANISMS; MICROARRAY; SUCCESSION AB An important challenge in microbial ecology is developing methods that simultaneously examine the physiology of organisms at the molecular level and their ecosystem level interactions in complex natural systems. We integrated extensive proteomic, geochemical, and biological information from 28 microbial communities collected from an acid mine drainage environment and representing a range of biofilm development stages and geochemical conditions to evaluate how the physiologies of the dominant and less abundant organisms change along environmental gradients. The initial colonist dominates across all environments, but its proteome changes between two stable states as communities diversify, implying that interspecies interactions affect this organism's metabolism. Its overall physiology is robust to abiotic environmental factors, but strong correlations exist between these factors and certain subsets of proteins, possibly accounting for its wide environmental distribution. Lower abundance populations are patchier in their distribution, and proteomic data indicate that their environmental niches may be constrained by specific sets of abiotic environmental factors. This research establishes an effective strategy to investigate ecological relationships between microbial physiology and the environment for whole communities in situ. Molecular Systems Biology 6: 374; published online 8 June 2010; doi:10.1038/msb.2010.30 C1 [Mueller, Ryan S.; Denef, Vincent J.; Kalnejais, Linda H.; Suttle, K. Blake; Thomas, Brian C.; Wilmes, Paul; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Smith, Richard L.; Nordstrom, D. Kirk; McCleskey, R. Blaine] US Geol Survey, Div Water Resources, Boulder, CO USA. [Shah, Manesh B.; VerBerkmoes, Nathan C.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Banfield, JF (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, 369 McCone Hall, Berkeley, CA 94720 USA. EM jbanfield@berkeley.edu RI Smith, Richard/A-6733-2008; Smith, Richard/J-3664-2012; Hettich, Robert/N-1458-2016; Wilmes, Paul/B-1707-2017 OI McCleskey, Richard/0000-0002-2521-8052; Smith, Richard/0000-0002-3829-0125; Smith, Richard/0000-0002-2381-2349; Hettich, Robert/0000-0001-7708-786X; Wilmes, Paul/0000-0002-6478-2924 FU US Department of Energy (Office of Science) [DE-FG02-05ER64134] FX We thank Mr TW Arman, President, Iron Mountain Mines and Dr R Sugarek, EPA, for site access and Mr R Carver for on-site assistance, P Abraham, M Lefsrud (Oak Ridge National Laboratory) for their assistance with proteomic measurements and analysis, and F Lauro for providing computational assistance. R Barnes, C Miller, and M Power are thanked for helpful reviews. This project was funded by Grant No. DE-FG02-05ER64134 from the US Department of Energy Genomics: GTL project (Office of Science). NR 51 TC 32 Z9 32 U1 3 U2 36 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 JUN PY 2010 VL 6 AR 374 DI 10.1038/msb.2010.30 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 622CH UT WOS:000279636000006 PM 20531404 ER PT J AU Xanthopoulos, E Thean, AHC Pedlar, A Richards, AMS AF Xanthopoulos, E. Thean, A. H. C. Pedlar, A. Richards, A. M. S. TI Linear radio structures in selected Seyfert galaxies SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Review DE methods: observational; galaxies: jets; galaxies: Seyfert ID ACTIVE GALACTIC NUCLEI; HUBBLE-SPACE-TELESCOPE; WATER-MEGAMASER GALAXIES; LARGE-SCALE OUTFLOWS; VLBI OBSERVATIONS; VLA OBSERVATIONS; STAR-FORMATION; CONTINUUM EMISSION; MARKARIAN GALAXIES; LUMINOUS GALAXIES AB High-resolution Multi-Element Radio Linked Interferometer Network 5-GHz observations of seven Seyfert galaxies, selected as the ones previously showing evidence of collimated ejection, have been compared with high-resolution Hubble Space Telescope data. A radio and optical/near-ultraviolet emission correlation is apparent in all the sources. The radio maps reveal rich structures in the entire sample. NGC 2639 and TXFS 2226-184 have multiple-knot parsec-scale extended structures, Mrk 1034NED02, Mrk 1210, NGC 4922NED02 and NGC 5506 reveal one-sided jets, while IC 1481 exhibits jet features. Interaction between these very small (mostly mas) sub-kpc jets with dense material gives rise to symptoms of a disrupted medium, signatures of which are present in all the sources. C1 [Xanthopoulos, E.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Xanthopoulos, E.] Lawrence Livermore Natl Lab, IGPP, Livermore, CA 94550 USA. [Thean, A. H. C.; Pedlar, A.; Richards, A. M. S.] Univ Manchester, Jodrell Bank, Ctr Astrophys, Manchester M13 9PL, Lancs, England. RP Xanthopoulos, E (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. EM exanthop@igpp.ucllnl.org OI Richards, Anita/0000-0002-3880-2450 FU US Department of Energy [W-7405-Eng-48] FX MERLIN is operated as a National Facility by the Jodrell Bank Observatory, University of Manchester, on behalf of the UK Particle Physics and Astronomy Research Council. We would like to thank the MERLIN team and especially Peter Thomasson, Tom Muxlow and Simon Garrington for the observations and useful comments. EX's work was performed under the auspices of the US Department of Energy, National Nuclear Security Administration by the University of California, Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48. We would especially like to thank our anonymous referee for the very careful reading and excellent suggestions that have led to a great improvement of the paper. NR 106 TC 3 Z9 3 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUN 1 PY 2010 VL 404 IS 4 BP 1966 EP 1983 DI 10.1111/j.1365-2966.2010.16416.x PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 600JG UT WOS:000277981400027 ER PT J AU Hsu, JWP Lloyd, MT AF Hsu, Julia W. P. Lloyd, Matthew T. TI Organic/Inorganic Hybrids for Solar Energy Generation SO MRS BULLETIN LA English DT Article ID POLYMER PHOTOVOLTAIC CELLS; FIELD-EFFECT TRANSISTORS; CONJUGATED POLYMER; ZNO NANORODS; REGIOREGULAR POLYTHIOPHENE; OXIDE; EFFICIENCY; MOBILITY; DEVICES; POLY(3-HEXYLTHIOPHENE) AB Organic and hybrid (organic/inorganic) solar cells are an attractive alternative to traditional silicon-based photovoltaics due to low-temperature, solution-based processing and the potential for rapid, easily scalable manufacturing. Using oxide semiconductors, instead of fullerenes, as the electron acceptor and transporter in hybrid solar cells has the added advantages of better environmental stability, higher electron mobility, and the ability to engineer interfacial band offsets and hence the photovoltage. Further improvements to this structure can be made by using metal oxide nanostructures to increase heterojunction areas, similar to bulk heterojunction organic photovoltaics. However, compared to all-organic solar cells, these hybrid devices produce far lower photocurrent, making improvement of the photocurrent the highest priority. This points to a less than optimized polymer/metal oxide interface for carrier separation. In this article, we summarize recent work on examining the polymer structure, electron transfer, and recombination at the polythiophene-ZnO interface in hybrid solar cells. Additionally, the impact of chemical modification at the donor-acceptor interface on the device characteristics is reviewed. C1 [Hsu, Julia W. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Lloyd, Matthew T.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. RP Hsu, JWP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jwhsu@sandia.gov; matthew.lloyd@nrel.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors are grateful for the work conducted at Sandia, 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 66 TC 37 Z9 37 U1 0 U2 28 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 J9 MRS BULL JI MRS Bull. PD JUN PY 2010 VL 35 IS 6 BP 422 EP 428 DI 10.1557/mrs2010.579 PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 615JR UT WOS:000279131500014 ER PT J AU Liu, YM Zentgraf, T Bartal, G Zhang, X AF Liu, Yongmin Zentgraf, Thomas Bartal, Guy Zhang, Xiang TI Transformational Plasmon Optics SO NANO LETTERS LA English DT Article DE Transformation optics; surface plasmon polariton; metamaterial ID NEGATIVE REFRACTIVE-INDEX; ELECTROMAGNETIC CLOAK; LAPLACES-EQUATION; DESIGN METHOD; METAMATERIALS; BENDS AB We propose and demonstrate efficiently molding surface plasmon polaritons (SPPs) based on transformation optics. SPPs are surface modes of electromagnetic waves tightly bound at metal-dielectric interfaces, which allow us to scale optics beyond the diffraction limit. Taking advantage of transformation optics, here we show that the propagation of SPPs can be manipulated in a prescribed manner by careful control of the dielectric material properties adjacent to a metal. Since the metal properties are completely unaltered, this methodology provides a practical way for routing light at very small scales. For instance, our approach enables SPPs to travel at uneven and curved surfaces over a broad wavelength range, where SPPs would normally suffer significant scattering losses. In addition, a plasmonic 180 degrees waveguide bend and a plasmonic Luneburg lens with simple designs are presented. The unique design flexibility of the transformational plasmon optics introduced here may open a new door to nano optics and downscaling of photonic circuits. C1 [Liu, Yongmin; Zentgraf, Thomas; Bartal, Guy; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Liu, Yongmin/F-5322-2010; Zhang, Xiang/F-6905-2011; Zentgraf, Thomas/G-8848-2013 OI Zentgraf, Thomas/0000-0002-8662-1101 FU U.S. Army Research Office (ARO) [W911NF-09-1-0539]; National Science Foundation Nano-scale Science and Engineering Center [CMMI-0751621] FX We acknowledge the financial support from the U.S. Army Research Office (ARO) MURI program (W911NF-09-1-0539) and the National Science Foundation Nano-scale Science and Engineering Center (CMMI-0751621). NR 38 TC 152 Z9 156 U1 7 U2 82 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2010 VL 10 IS 6 BP 1991 EP 1997 DI 10.1021/nl1008019 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 606TB UT WOS:000278449200004 PM 20465268 ER PT J AU Tselev, A Strelcov, E Luk'yanchuk, IA Budai, JD Tischler, JZ Ivanov, IN Jones, K Proksch, R Kalinin, SV Kolmakov, A AF Tselev, Alexander Strelcov, Evgheni Luk'yanchuk, Igor A. Budai, John D. Tischler, Jonathan Z. Ivanov, Ilia N. Jones, Keith Proksch, Roger Kalinin, Sergei V. Kolmakov, Andrei TI Interplay between Ferroelastic and Metal-Insulator Phase Transitions in Strained Quasi-Two-Dimensional VO2 Nanoplatelets SO NANO LETTERS LA English DT Article DE Vanadium dioxide; metal-insulator phase transition; ferroelastic phase transition; domain structure; near-field microwave microscopy ID DOMAIN-WALL ORIENTATIONS; VANADIUM DIOXIDE; MOTT TRANSITION; STRUCTURAL ASPECTS; FILMS; TEMPERATURE; CRYSTALS; ORGANIZATION; NANOBEAMS; NANOWIRES AB Formation of ferroelastic twin domains in vanadium dioxide (VO2) nanosystems can strongly affect local strain distributions, and hence couple to the strain-controlled metal insulator transition. Here we report polarized-light optical and scanning microwave microscopy studies of interrelated ferroelastic and metal insulator transitions in single-crystalline VO2 quasi-two-dimensional (quasi-2D) nanoplatelets (NPIs). In contrast to quasi-ID single-crystalline nanobeams, the 2D geometric frustration results in emergence of several possible families of ferroelastic domains in NPIs, thus allowing systematic studies of strain-controlled transitions in the presence of geometrical frustration. We demonstrate the possibility of controlling the ferroelastic domain population by the strength of the NPI-substrate interaction, mechanical stress, and by the NPI lateral size. Ferroelastic domain species and domain walls are identified based on standard group-theoretical considerations. Using variable temperature microscopy, we imaged the development of domains of metallic and semiconducting phases during the metal insulator phase transition and nontrivial strain-driven reentrant domain formation. A long-range reconstruction of ferroelastic structures accommodating metal-insulator domain formation has been observed. These studies illustrate that a complete picture of the phase transitions in single-crystalline and disordered VO2 structures can be drawn only if both ferroelastic and metal-insulator strain effects are taken into consideration and understood. C1 [Tselev, Alexander; Ivanov, Ilia N.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Strelcov, Evgheni; Kolmakov, Andrei] So Illinois Univ, Dept Phys, Carbondale, IL 62901 USA. [Luk'yanchuk, Igor A.] Univ Picardie Jules Verne, Lab Condensed Matter Phys, F-80039 Amiens, France. [Luk'yanchuk, Igor A.] LD Landau Theoret Phys Inst, Moscow, Russia. [Budai, John D.; Tischler, Jonathan Z.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Jones, Keith; Proksch, Roger] Asylum Res, Santa Barbara, CA 93117 USA. RP Tselev, A (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM tseleva@ornl.gov; akolmakov@physics.siu.edu RI Kolmakov, Andrei/A-9095-2011; Kalinin, Sergei/I-9096-2012; Strelcov, Evgheni/H-1654-2013; ivanov, ilia/D-3402-2015; Tselev, Alexander/L-8579-2015; Igor, Lukyanchuk/C-4206-2008; Budai, John/R-9276-2016; Kolmakov, Andrei/B-1460-2017 OI Kalinin, Sergei/0000-0001-5354-6152; ivanov, ilia/0000-0002-6726-2502; Tselev, Alexander/0000-0002-0098-6696; Budai, John/0000-0002-7444-1306; Kolmakov, Andrei/0000-0001-5299-4121 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; NSF [ECCS-0925837, SISGR-DOE ERKCM67]; ANR; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. DOE FX The authors thank Alexander Tagantsev (EPFL, Switzerland) for fruitful discussions and Wenjun Liu for help in obtaining X-ray microdiffraction measurements at the APS. 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. The research at SIUC was supported through NSF ECCS-0925837 and SISGR-DOE ERKCM67. The work of I.L. was supported by ANR project LOMACOQU. J.D.B. and J.Z.T. were supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. DOE. Use of the APS beamline 34-IDE was supported by the Scientific User Facilities Division of BES, U.S. DOE. NR 41 TC 57 Z9 57 U1 5 U2 59 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD JUN PY 2010 VL 10 IS 6 BP 2003 EP 2011 DI 10.1021/nl1008794 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 606TB UT WOS:000278449200006 PM 20455527 ER PT J AU Lee, SH Goto, T Miyazaki, H Chang, J Yao, T AF Lee, Sang Hyun Goto, Takenari Miyazaki, Hiroshi Chang, Jiho Yao, Takafumi TI Optical Resonant Cavity in a Nanotaper SO NANO LETTERS LA English DT Article DE ZnO; nanotaper; optical resonant cavity; lasing ID ROOM-TEMPERATURE; QUANTUM BOXES; ZNO; LASERS; MICROCAVITY AB The present study describes an optical resonant cavity in a nanotaper with scale reduction from micro to several nanometers. Both experimental results and a finite-difference time-domain (FDTD)-based simulation suggested that the nanometer-scale taper with a diameter similar to the wavelength of light acted as a mirror, which facilitated the formation of a laser cavity and caused lasing in ZnO nanotapers. As the light inside the nanotaper propagated toward the apex, the lateral mode was reduced and reflection occurred. This report suggests that use of the resonant optical cavities in nanotapers might result in novel active and passive optical components, which will broaden the horizons of photonic technology, C1 [Lee, Sang Hyun; Goto, Takenari; Yao, Takafumi] Tohoku Univ, Interdisciplinary Res Ctr, Sendai, Miyagi 9808579, Japan. [Miyazaki, Hiroshi] Tohoku Univ, Dept Appl Phys, Sendai, Miyagi 9808579, Japan. [Chang, Jiho] Korea Maritime Univ, Pusan 606791, South Korea. RP Lee, SH (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM lees3@ornl.gov FU MKE (The Ministry of Knowledge Economy) [NIPA-2009-C1090-0903-0007] FX J.C. was supported by the MKE (The Ministry of Knowledge Economy), under the ITRC (Information Technology Research Center) support program supervised by the NIPA (National IT Industry Promotion Agency) (NIPA-2009-C1090-0903-0007). NR 26 TC 10 Z9 10 U1 0 U2 13 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 JUN PY 2010 VL 10 IS 6 BP 2038 EP 2042 DI 10.1021/nl100100z PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 606TB UT WOS:000278449200011 PM 20441183 ER PT J AU McGuire, JA Sykora, M Joo, J Pietryga, JM Klimov, VI AF McGuire, John A. Sykora, Milan Joo, Jin Pietryga, Jeffrey M. Klimov, Victor I. TI Apparent Versus True Carrier Multiplication Yields in Semiconductor Nanocrystals SO NANO LETTERS LA English DT Article DE Carrier multiplication; PbSe nanocrystals; charge separation; charged exciton; time-resolved photoluminescence; Auger recombination ID MULTIPLE EXCITON GENERATION; COLLOIDAL QUANTUM DOTS; OPTICAL-PROPERTIES; SOLAR-CELLS; PBSE; EFFICIENCY; REDUCTION; ENERGIES; LIMITS AB Generation of multiple electron hole pairs (excitons) by single photons, known as carrier multiplication (CM), has the potential to appreciably improve the performance of solar photovoltaics. In semiconductor nanocrystals, this effect usually has been detected using a distinct dynamical signature of multiexcitons associated with their fast Auger recombination, Here, we show that uncontrolled photocharging of the nanocrystal core can lead to exaggeration of the Auger decay component and, as a result, significant deviations of the apparent CM efficiencies from their true values. Specifically, we observe that for the same sample, apparent multiexciton yields can differ by a factor of 3 depending on whether the nanocrystal solution is static or stirred. We show that this discrepancy is consistent with photoinduced charging of the nanocrystals in static solutions, the effect of which is minimized in the stirred case where the charged nanocrystals are swept from the excitation volume between sequential excitation pulses. Using side-by-side measurements of CM efficiencies and nanocrystal charging, we show that the CM results obtained under static conditions converge to the values measured for stirred solutions after we accurately account for the effects of photocharging. This study helps to clarify the recent controversy over CM in nanocrystals and highlights some of the issues that must be carefully considered in spectroscopic studies of this process. C1 [McGuire, John A.; Sykora, Milan; Joo, Jin; Pietryga, Jeffrey M.; Klimov, Victor I.] Los Alamos Natl Lab, Ctr Adv Solar Photophys, Div Chem, Los Alamos, NM 87545 USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Ctr Adv Solar Photophys, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM klimov@lanl.gov RI McGuire, John/C-3380-2015; OI McGuire, John/0000-0002-0682-0953; Klimov, Victor/0000-0003-1158-3179 FU U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES); Los Alamos National Laboratory Directed Research and Development Funds; Chemical Sciences, Biosciences, and Geosciences Division of BES, U.S. DOE FX This material is based upon work supported as part of the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES). J.M.P. and J.J. acknowledge support by the Chemical Sciences, Biosciences, and Geosciences Division of BES, U.S. DOE. J.A.M. and M.S. acknowledge support by Los Alamos National Laboratory Directed Research and Development Funds. NR 41 TC 153 Z9 153 U1 1 U2 54 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 JUN PY 2010 VL 10 IS 6 BP 2049 EP 2057 DI 10.1021/nl100177c PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 606TB UT WOS:000278449200013 PM 20459066 ER PT J AU Wang, C Wei, YJ Jiang, HY Sun, SH AF Wang, Chao Wei, Yujie Jiang, Hongyuan Sun, Shouheng TI Bending Nanowire Growth in Solution by Mechanical Disturbance SO NANO LETTERS LA English DT Article DE Gold nanowires; solution synthesis; bending nanowire growth; mechanical disturbance; nanocrystal defect; reverse micelle ID SHAPE-CONTROLLED SYNTHESIS; ENHANCED CATALYSIS; NANOTWINNED COPPER; METAL NANOCRYSTALS; OXYGEN REDUCTION; MAXIMUM STRENGTH; GOLD NANOWIRES; AU NANOWIRES; NANOPARTICLES; MONODISPERSE AB The effect of mechanical disturbance on one-dimensional nanocrystal growth in solution phase is investigated by controlled growth of Au nanowires with and without stirring. While a static growth leads to straight, single-crystal Au nanowires, the mechanic disturbance by stirring tends to bend the nanowire growth, yielding nanowire kinks abundant in various types of crystal defects including dislocations, twin boundaries, and grain boundaries. Mechanical modeling and analysis is introduced to elucidate the nanowire growth mechanisms in these two conditions. The provided fundamental understanding of crystal defect formation at nanoscale could be applied to guide the development of advanced nanomaterials with shape control and unique mechanical properties. C1 [Wang, Chao; Jiang, Hongyuan] Brown Univ, Div Engn, Providence, RI 02912 USA. [Wei, Yujie] Chinese Acad Sci, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. [Wang, Chao; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. RP Wang, C (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chaowang@anl.gov; yujie_wei@lnm.imech.ac.cn; ssun@brown.edu RI Wang, Chao/F-4558-2012; Wei, Yujie/A-3770-2009 OI Wang, Chao/0000-0001-7398-2090; Wei, Yujie/0000-0002-3213-7891 FU NSF/DMR [0606264]; Brown University; Hitachi Maxell, Ltd; Chinese Academy of Sciences FX The work was supported by NSF/DMR 0606264, the Brown University Seed Fund, a scholarship from Hitachi Maxell, Ltd. We thank Professor L. Ben Freund and Professor H. Gao of Brown University for valuable discussions. The help on HRTEM from Mr. Anthony McCormick at Materials Research Center of Brown University is also gratefully acknowledged. Y.W. acknowledges the support of "BaiRen Project" from the Chinese Academy of Sciences. NR 47 TC 29 Z9 29 U1 0 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 JUN PY 2010 VL 10 IS 6 BP 2121 EP 2125 DI 10.1021/nl100661v PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 606TB UT WOS:000278449200025 PM 20499890 ER PT J AU Manandhar, P Akhadov, EA Tracy, C Picraux, ST AF Manandhar, P. Akhadov, E. A. Tracy, C. Picraux, S. T. TI Integration of Nanowire Devices in Out-of-Plane Geometry SO NANO LETTERS LA English DT Article DE Nanowires; integration; vertical devices; germanium; directed assembly ID FIELD-EFFECT TRANSISTOR; AU NANOPARTICLE CATALYSTS; LIQUID-SOLID GROWTH; SILICON NANOWIRES; GE NANOWIRES; ARRAYS; NANOSTRUCTURES; LITHOGRAPHY; ELECTRONICS; FABRICATION AB We report the fabrication of arrays of single and multiple out-of-plane nanowire devices on a single substrate, an important step for the fabrication of novel three-dimensional devices and the integration of individually addressable nanowires onto current Si planar technology platforms. Vertical nanowire device fabrication can greatly increase device densities; however integrating such devices into arrays with registry to the substrate requires precise control over the number and position of the nanowires. Here we report the directed assembly of gold nanoparticle seeds into patterned arrays for the growth of nanowires using chemical recognition and electrophoretic methods. Chemical recognition provides highly reproducible control of the position and number of nanoparticles per pattern element and is shown to be in good agreement with a simple electrostatic model. Individually addressed out-of-plane, vapor liquid solid grown Ge nanowires with single and multiple nanowires per element are fabricated and electrically characterized. C1 [Manandhar, P.; Akhadov, E. A.; Picraux, S. T.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Tracy, C.] Arizona State Univ, Arizona Inst Nanoelect, Tempe, AZ 85287 USA. RP Picraux, ST (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM picraux@lanl.gov FU National Nanotechnology Enterprise Development Center; Center for Integrated Nanotechnologies; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX We acknowledge John Kevin Baldwin, John Nogan, and Catherine Mombourquette for technical support, Antonio Garcia for assembly discussions, and Shadi Dayeh for TEM analysis and helpful suggestions. Support by the National Nanotechnology Enterprise Development Center, Internal Technology Maturation Program is gratefully acknowledged. 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 is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. NR 46 TC 19 Z9 19 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 JUN PY 2010 VL 10 IS 6 BP 2126 EP 2132 DI 10.1021/nl100747w 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 606TB UT WOS:000278449200026 PM 20462231 ER PT J AU Ho, XN Ye, LN Rotkin, SV Xie, X Du, F Dunham, S Zaumseil, J Rogers, JA AF Ho, Xinning Ye, Lina Rotkin, Slava V. Xie, Xu Du, Frank Dunham, Simon Zaumseil, Jana Rogers, John A. TI Theoretical and experimental studies of Schottky diodes that use aligned arrays of single-walled carbon nanotubes SO NANO RESEARCH LA English DT Article DE Schottky diodes; aligned arrays; single-walled carbon nanotubes ID FIELD-EFFECT TRANSISTORS; OHMIC CONTACTS; BIPOLAR DIODE; PERFORMANCE; NANOWIRES; DEVICES AB We present theoretical and experimental studies of Schottky diodes that use aligned arrays of single-walled carbon nanotubes. A simple physical model, taking into account the basic physics of current rectification, can adequately describe the single-tube and array devices. We show that for as-grown array diodes, the rectification ratio, defined by the maximum-to-minimum-current-ratio, is low due to the presence of metallic-single-walled nanotube (SWNT) shunts. These tubes can be eliminated in a single voltage sweep resulting in a high rectification array device. Further analysis also shows that the channel resistance, and not the intrinsic nanotube diode properties, limits the rectification in devices with channel length up to 10 mu m. C1 [Ho, Xinning; Ye, Lina; Xie, Xu; Du, Frank; Dunham, Simon; Rogers, John A.] Univ Illinois, Dept Mat Sci & Engn, Beckman Inst, Urbana, IL 61801 USA. [Ho, Xinning; Ye, Lina; Xie, Xu; Du, Frank; Dunham, Simon; Rogers, John A.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Ye, Lina] Univ Sci & Technol China, Dept Chem, Hefei 230026, Peoples R China. [Rotkin, Slava V.] Lehigh Univ, Dept Phys, Bethlehem, PA 18015 USA. [Rotkin, Slava V.] Lehigh Univ, Ctr Adv Mat & Nanotechnol, Bethlehem, PA 18015 USA. [Zaumseil, Jana] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Rogers, John A.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Rogers, John A.] Univ Illinois, Dept Elect & Comp Engn Mech Sci & Engn, Urbana, IL 61801 USA. RP Rogers, JA (reprint author), Univ Illinois, Dept Mat Sci & Engn, Beckman Inst, 1304 W Green St, Urbana, IL 61801 USA. EM rotkin@lehigh.edu; jrogers@uiuc.edu RI Rogers, John /L-2798-2016 FU U.S. Department of Energy [DE-FG02-07ER46453, DE-FG02-07ER46471]; A*STAR (Singapore) FX We thank T. Banks and B. Sankaran for help with processing. This work was carried out in part in the Frederick Seitz Materials Research Laboratory Central Facilities, University of Illinois, which are partially supported by the U.S. Department of Energy under Grants Nos. DE-FG02-07ER46453 and DE-FG02-07ER46471. X.H. acknowledges fellowship support from A*STAR (Singapore). NR 33 TC 9 Z9 9 U1 1 U2 20 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 100084, PEOPLES R CHINA SN 1998-0124 EI 1998-0000 J9 NANO RES JI Nano Res. PD JUN PY 2010 VL 3 IS 6 BP 444 EP 451 DI 10.1007/s12274-010-0004-x PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 608ZI UT WOS:000278624100008 ER PT J 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. TI Hyperspectral and Pixelated Filter Array for Long-Wave IR Focal Plane Array Integration SO NANOSCIENCE AND NANOTECHNOLOGY LETTERS LA English DT Article DE Hyperspectral; Multispectral; Filter Array; Fabry-Perot; Pixelated; Super-Pixel; Long-Wave IR; Snapshot Imaging; Diffraction; Focal Plane Array; Optical Integration 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 200 nm. With this arrayed approach, remote sensing data may be accumulated with a non-scanning, "snapshot" imaging system. To maximize the signal-to-noise ratio, the pixelated filter array must be placed very close to the detecting FPA so that diffraction effects are mitigated. We quantify the diffraction effects in the design and layout of this pixelated filter component where pixel dimensions are only a few wavelengths. The technology allows for flexible location of individual pixel center wavelengths and of pixel positions within the array. Finally, an entire pixel area has a single wavelength response, not the integrated linear response of a graded cavity thickness design. C1 [Kemme, S. A.; Boye, R. R.; Cruz-Cabrera, A. A.; Briggs, R. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Carter, T. R.] Sandia Staffing Alliance, Albuquerque, NM 87110 USA. [Samora, S.] LMATA, Albuquerque, NM 87185 USA. RP Kemme, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work, funded by the Assistant Deputy Administrator of Nonproliferation Research and Development, addresses the need for multispectral staring focal planes for remote sensing and monitoring. 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 12 TC 1 Z9 1 U1 1 U2 7 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1941-4900 J9 NANOSCI NANOTECH LET JI Nanosci. Nanotechnol. Lett. PD JUN PY 2010 VL 2 IS 2 SI SI BP 102 EP 112 DI 10.1166/nnl.2010.1065 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 798MH UT WOS:000293210900008 ER PT J AU Hupp, JT AF Hupp, Joseph T. TI CRYSTAL ENGINEERING Towards artificial enzymes SO NATURE CHEMISTRY LA English DT News Item ID CHEMISTRY; CLATHRATE; VOIDS C1 [Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Hupp, Joseph T.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Hupp, JT (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM j-hupp@northwestern.edu RI Hupp, Joseph/K-8844-2012 OI Hupp, Joseph/0000-0003-3982-9812 NR 5 TC 20 Z9 20 U1 0 U2 19 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 JUN PY 2010 VL 2 IS 6 BP 432 EP 433 DI 10.1038/nchem.678 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 599PY UT WOS:000277926800004 PM 20489705 ER PT J AU Strasser, P Koh, S Anniyev, T Greeley, J More, K Yu, CF Liu, ZC Kaya, S Nordlund, D Ogasawara, H Toney, MF Nilsson, A AF Strasser, Peter Koh, Shirlaine Anniyev, Toyli Greeley, Jeff More, Karren Yu, Chengfei Liu, Zengcai Kaya, Sarp Nordlund, Dennis Ogasawara, Hirohito Toney, Michael F. Nilsson, Anders TI Lattice-strain control of the activity in dealloyed core-shell fuel cell catalysts SO NATURE CHEMISTRY LA English DT Article ID SURFACE ELECTRONIC-STRUCTURE; OXYGEN REDUCTION REACTION; NANOPARTICLE ELECTROCATALYSTS; BIMETALLIC SURFACES; METAL-SURFACES; PT3CO NANOPARTICLES; REACTIVITY; ADSORPTION; ALLOY; GOLD AB Electrocatalysis will play a key role in future energy conversion and storage technologies, such as water electrolysers, fuel cells and metal-air batteries. Molecular interactions between chemical reactants and the catalytic surface control the activity and efficiency, and hence need to be optimized; however, generalized experimental strategies to do so are scarce. Here we show how lattice strain can be used experimentally to tune the catalytic activity of dealloyed bimetallic nanoparticles for the oxygen-reduction reaction, a key barrier to the application of fuel cells and metal-air batteries. We demonstrate the core-shell structure of the catalyst and clarify the mechanistic origin of its activity. The platinum-rich shell exhibits compressive strain, which results in a shift of the electronic band structure of platinum and weakening chemisorption of oxygenated species. We combine synthesis, measurements and an understanding of strain from theory to generate a reactivity-strain relationship that provides guidelines for tuning electrocatalytic activity. C1 [Strasser, Peter] Tech Univ Berlin, Div Chem Engn, Dept Chem, Electrochem Energy Catalysis & Mat Sci Lab, D-10623 Berlin, Germany. [Strasser, Peter; Koh, Shirlaine; Yu, Chengfei; Liu, Zengcai] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. [Anniyev, Toyli; Kaya, Sarp; Ogasawara, Hirohito; Toney, Michael F.; Nilsson, Anders] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Anniyev, Toyli; Kaya, Sarp; Nordlund, Dennis; Ogasawara, Hirohito; Toney, Michael F.; Nilsson, Anders] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Greeley, Jeff] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [More, Karren] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Strasser, P (reprint author), Tech Univ Berlin, Div Chem Engn, Dept Chem, Electrochem Energy Catalysis & Mat Sci Lab, D-10623 Berlin, Germany. EM pstrasser@tu-berlin.de RI Kaya, Sarp/C-4001-2008; Nilsson, Anders/E-1943-2011; Strasser, Peter/A-1868-2012; Nordlund, Dennis/A-8902-2008; Ogasawara, Hirohito/D-2105-2009; More, Karren/A-8097-2016 OI Kaya, Sarp/0000-0002-2591-5843; Nilsson, Anders/0000-0003-1968-8696; Nordlund, Dennis/0000-0001-9524-6908; Ogasawara, Hirohito/0000-0001-5338-1079; More, Karren/0000-0001-5223-9097 FU Department of Energy, Office of Basic Energy Sciences; National Science Foundation [729722]; German National Science Foundation (Deutsche Forschungsgemeinschaft); US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy's Office of Biological and Environmental Research; ORNL's SHaRE User Program FX This project was supported by the Department of Energy, Office of Basic Energy Sciences, under the auspices of the President's Hydrogen Fuel Initiative. Acknowledgment is also made to the National Science Foundation (grant #729722) for partial support of this research. P.S. acknowledges support from the Cluster of Excellence in Catalysis (UNICAT) funded by the German National Science Foundation (Deutsche Forschungsgemeinschaft) and managed by the Technical University Berlin, Germany. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a national user facility operated by Stanford University on behalf of the US Department of Energy, Office of Basic Energy Sciences. Use of the Center for Nanoscale Materials was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357. We acknowledge computer time at the Laboratory Computing Resource Center (LCRC) at Argonne National Laboratory, the National Energy Research Scientific Computing Center (NERSC) and the EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Microscopy research supported by ORNL's SHaRE User Program, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. The authors thank L. Pettersson for reading the manuscript. NR 50 TC 900 Z9 906 U1 136 U2 844 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 JUN PY 2010 VL 2 IS 6 BP 454 EP 460 DI 10.1038/NCHEM.623 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 599PY UT WOS:000277926800012 PM 20489713 ER PT J AU Smith, FA Elliott, SM Lyons, SK AF Smith, Felisa A. Elliott, Scott M. Lyons, S. Kathleen TI Methane emissions from extinct megafauna SO NATURE GEOSCIENCE LA English DT Letter ID ATMOSPHERIC METHANE C1 [Smith, Felisa A.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Elliott, Scott M.] Los Alamos Natl Lab, Climate Ocean Sea Ice Modelling Team, Los Alamos, NM 87545 USA. [Lyons, S. Kathleen] Smithsonian Inst, Dept Paleobiol, Natl Museum Nat Hist, Washington, DC 20013 USA. RP Smith, FA (reprint author), Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. EM fasmith@unm.edu NR 14 TC 29 Z9 31 U1 3 U2 23 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD JUN PY 2010 VL 3 IS 6 BP 374 EP 375 PG 2 WC Geosciences, Multidisciplinary SC Geology GA 602IZ UT WOS:000278134100002 ER PT J AU Manning, MR Edmonds, J Emori, S Grubler, A Hibbard, K Joos, F Kainuma, M Keeling, RF Kram, T Manning, AC Meinshausen, M Moss, R Nakicenovic, N Riahi, K Rose, SK Smith, S Swart, R van Vuuren, DP AF Manning, M. R. Edmonds, J. Emori, S. Grubler, A. Hibbard, K. Joos, F. Kainuma, M. Keeling, R. F. Kram, T. Manning, A. C. Meinshausen, M. Moss, R. Nakicenovic, N. Riahi, K. Rose, S. K. Smith, S. Swart, R. van Vuuren, D. P. TI Misrepresentation of the IPCC CO2 emission scenarios SO NATURE GEOSCIENCE LA English DT Letter ID TRENDS C1 [Manning, M. R.] Victoria Univ Wellington, Climate Change Res Inst, Wellington, New Zealand. [Edmonds, J.; Moss, R.; Smith, S.] Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20742 USA. [Emori, S.; Kainuma, M.] Natl Inst Environm Studies, Ctr Global Environm Res, Tsukuba, Ibaraki 3058506, Japan. [Grubler, A.; Nakicenovic, N.; Riahi, K.] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. [Grubler, A.] Sungkyunkwan Univ, DOES, Suwon, South Korea. [Hibbard, K.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA. [Joos, F.] Univ Bern, Inst Phys, CH-3012 Bern, Switzerland. [Joos, F.] Univ Bern, Oeschger Ctr Climate Change Res, CH-3012 Bern, Switzerland. [Keeling, R. F.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Kram, T.; van Vuuren, D. P.] Netherlands Environm Assessment Agcy PBL, NL-3720 AH Bilthoven, Netherlands. [Manning, A. C.] Univ E Anglia, Sch Environm Sci, Norwich NR4 7TJ, Norfolk, England. [Meinshausen, M.] Potsdam Inst Climate Impact Res, D-14412 Potsdam, Germany. [Nakicenovic, N.] Vienna Univ Technol, A-1040 Vienna, Austria. [Riahi, K.] Graz Univ Technol, A-8010 Graz, Austria. [Rose, S. K.] Elect Power Res Inst, Global Climate Change Res Grp, Palo Alto, CA 94304 USA. [Swart, R.] Univ Wageningen & Res Ctr, Alterra, NL-6700 AA Wageningen, Netherlands. RP Manning, MR (reprint author), Victoria Univ Wellington, Climate Change Res Inst, POB 600, Wellington, New Zealand. EM Martin.Manning@vuw.ac.nz RI Meinshausen, Malte/A-7037-2011; van Vuuren, Detlef/A-4764-2009; Manning, Andrew/D-4416-2011; Riahi, Keywan/B-6426-2011; OI Meinshausen, Malte/0000-0003-4048-3521; van Vuuren, Detlef/0000-0003-0398-2831; Manning, Andrew/0000-0001-6952-7773; Riahi, Keywan/0000-0001-7193-3498; Grubler, Arnulf/0000-0002-6225-7712; Swart, Rob/0000-0002-1563-1150 NR 16 TC 36 Z9 36 U1 2 U2 27 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD JUN PY 2010 VL 3 IS 6 BP 376 EP 377 PG 3 WC Geosciences, Multidisciplinary SC Geology GA 602IZ UT WOS:000278134100004 ER PT J AU Pati, A Ivanova, NN Mikhailova, N Ovchinnikova, G Hooper, SD Lykidis, A Kyrpides, NC AF Pati, Amrita Ivanova, Natalia N. Mikhailova, Natalia Ovchinnikova, Galina Hooper, Sean D. Lykidis, Athanasios Kyrpides, Nikos C. TI GenePRIMP: a gene prediction improvement pipeline for prokaryotic genomes SO NATURE METHODS LA English DT Article ID MICROBIAL GENOMES; ANNOTATION; SITES AB We present 'gene prediction improvement pipeline' (GenePRIMP; http://geneprimp.jgi-psf.org/), a computational process that performs evidence-based evaluation of gene models in prokaryotic genomes and reports anomalies including inconsistent start sites, missed genes and split genes. We found that manual curation of gene models using the anomaly reports generated by GenePRIMP improved their quality, and demonstrate the applicability of GenePRIMP in improving finishing quality and comparing different genome-sequencing and annotation technologies. C1 [Pati, Amrita; Ivanova, Natalia N.; Mikhailova, Natalia; Ovchinnikova, Galina; Hooper, Sean D.; Lykidis, Athanasios; Kyrpides, Nikos C.] Joint Genome Inst, Dept Energy, Genome Biol Program, Walnut Creek, CA USA. RP Pati, A (reprint author), Joint Genome Inst, Dept Energy, Genome Biol Program, Walnut Creek, CA USA. EM apati@lbl.gov RI Kyrpides, Nikos/A-6305-2014; OI Kyrpides, Nikos/0000-0002-6131-0462; Ivanova, Natalia/0000-0002-5802-9485 FU US Department of Energy's Office of Science, Biological and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]; US National Institutes of Health Data Analysis and Coordination Center [U01-HG004866]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX We acknowledge the help and support of I. Anderson, K. Mavromatis, X. Zhao and V. Markowitz. GenePRIMP was developed 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 Berkeley National Laboratory under contract DE-AC02-05CH11231, Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 and Los Alamos National Laboratory under contract DE-AC02-06NA25396. Validation and improvement of the system was supported by US National Institutes of Health Data Analysis and Coordination Center contract U01-HG004866. The work conducted by the US Department of Energy Joint Genome Institute is supported by the Office of Science of the US Department of Energy under contract DE-AC02-05CH11231. NR 15 TC 292 Z9 293 U1 3 U2 22 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1548-7091 J9 NAT METHODS JI Nat. Methods PD JUN PY 2010 VL 7 IS 6 BP 455 EP U62 DI 10.1038/NMETH.1457 PG 5 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 602PI UT WOS:000278150900018 PM 20436475 ER PT J AU Hashimoto, M He, RH Tanaka, K Testaud, JP Meevasana, W Moore, RG Lu, DH Yao, H Yoshida, Y Eisaki, H Devereaux, TP Hussain, Z Shen, ZX AF Hashimoto, Makoto He, Rui-Hua Tanaka, Kiyohisa Testaud, Jean-Pierre Meevasana, Worawat Moore, Rob G. Lu, Donghui Yao, Hong Yoshida, Yoshiyuki Eisaki, Hiroshi Devereaux, Thomas P. Hussain, Zahid Shen, Zhi-Xun TI Particle-hole symmetry breaking in the pseudogap state of Bi2201 SO NATURE PHYSICS LA English DT Article ID T-C SUPERCONDUCTOR; UNDERDOPED BI2212; FERMI-SURFACE; COOPER PAIRS; ENERGY GAPS; BI2SR2CACU2O8+DELTA; TRANSITION AB In conventional superconductors, a gap exists in the energy absorption spectrum only below the transition temperature (T(c)), corresponding to the price to pay in energy for breaking a Cooper pair of electrons and creating two excited states. In high-T(c) cuprate superconductors above T(c) but below a temperature T*, an energy gap called the pseudogap(1) exists, and is controversially attributed either to pre-formed superconducting pairs, which would show particle-hole symmetry, or to competing phases that would typically break it. Scanning tunnelling microscopy (STM) studies suggest that the pseudogap stems from lattice translational symmetry breaking(2-9) and is associated with a different characteristic spectrum for adding or removing electrons (particle-hole asymmetry; refs 2,3). However, no signature of either energy or spatial symmetry breaking of the pseudogap has previously been observed by angle-resolved photoemission spectroscopy(9-8) (ARPES). Here we report ARPES data from Bi2201, which reveal both particle-hole symmetry breaking and pronounced spectral broadening-indicative of spatial symmetry breaking without long-range order at the opening of the pseudogap. Our finding supports the STM proposal that the pseudogap state is a broken-symmetry state that is distinct from homogeneous superconductivity. C1 [Hashimoto, Makoto; He, Rui-Hua; Tanaka, Kiyohisa; Testaud, Jean-Pierre; Meevasana, Worawat; Moore, Rob G.; Lu, Donghui; Yao, Hong; Devereaux, Thomas P.; Shen, Zhi-Xun] SLAC Natl Accelerator Lab, Standford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Hashimoto, Makoto; He, Rui-Hua; Tanaka, Kiyohisa; Testaud, Jean-Pierre; Meevasana, Worawat; Moore, Rob G.; Lu, Donghui; Devereaux, Thomas P.; Shen, Zhi-Xun] Stanford Univ, Dept Phys & Appl Phys, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Hashimoto, Makoto; Tanaka, Kiyohisa; Testaud, Jean-Pierre; Hussain, Zahid] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Tanaka, Kiyohisa] Osaka Univ, Dept Phys, Osaka 5600043, Japan. [Yoshida, Yoshiyuki; Eisaki, Hiroshi] Nanoelect Res Inst, Tsukuba, Ibaraki 3058568, Japan. RP Shen, ZX (reprint author), SLAC Natl Accelerator Lab, Standford Inst Mat & Energy Sci, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM zxshen@stanford.edu RI He, Ruihua/A-6975-2010; Yao, Hong/D-3202-2011 OI Yao, Hong/0000-0003-2867-6144 FU SGF; Department of Energy, Office of Basic Energy Science [DE-AC02-76SF00515] FX We thank W.-S. Lee, E. Berg, K. K. Comes, B. Moritz, S. A. Kivelson, M. Grilli, H. Q. Lin, N. Nagaosa, A. Fujimori and J. Zaanen for helpful discussions and Y. Li for experimental assistance on SQUID measurements. R.-H.H. thanks the SGF for financial support. This work is supported by the Department of Energy, Office of Basic Energy Science under contract DE-AC02-76SF00515. NR 30 TC 118 Z9 118 U1 5 U2 68 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 JUN PY 2010 VL 6 IS 6 BP 414 EP 418 DI 10.1038/NPHYS1632 PG 5 WC Physics, Multidisciplinary SC Physics GA 613WH UT WOS:000279014400011 ER PT J AU Liu, C Kondo, T Fernandes, RM Palczewski, AD Mun, ED Ni, N Thaler, AN Bostwick, A Rotenberg, E Schmalian, J Bud'ko, SL Canfield, PC Kaminski, A AF Liu, Chang Kondo, Takeshi Fernandes, Rafael M. Palczewski, An D. Mun, Eun Deok Ni, Ni Thaler, Alexander N. Bostwick, Aaron Rotenberg, Eli Schmalian, Joerg Bud'ko, Sergey L. Canfield, Paul C. Kaminski, Adam TI Evidence for a Lifshitz transition in electron-doped iron arsenic superconductors at the onset of superconductivity SO NATURE PHYSICS LA English DT Article AB The iron arsenic high-temperature superconductors(1,2) exhibit particularly rich phase diagrams. In the AE(Fe(1-x)T(x))(2)As(2) family (known as '122', with AE being Ca, Sr or Ba and T being a transition metal), the simultaneous structural/magnetic phase transition that occurs at elevated temperature in the undoped material splits and is suppressed by carrier doping(3,4). A superconducting region appears as likely in the orthorhombic/antiferromagnetic (AFM) state as in the tetragonal/paramagnetic state(3,5,6). An important question then is what determines the critical doping at which superconductivity emerges, as the AFM order is fully suppressed only close to optimal doping. Here we report evidence from angle-resolved photoemission spectroscopy that marked changes in the Fermi surface coincide with the onset of superconductivity in electron-doped Ba(Fe(1-x)Co(x))(2)As(2). The presence of the AFM order leads to a reconstruction of the electronic structure, most significantly the appearance of the petal-like hole pockets at the Fermi level. These hole pockets vanish-that is, undergo a Lifshitz transition(7)-as the cobalt concentration is increased sufficiently to support superconductivity. Superconductivity and magnetism are competing states in this system: when petal-like hole pockets are present, superconductivity is fully suppressed, whereas in their absence the two states can coexist. C1 [Liu, Chang; Kondo, Takeshi; Fernandes, Rafael M.; Palczewski, An D.; Mun, Eun Deok; Ni, Ni; Thaler, Alexander N.; Schmalian, Joerg; Bud'ko, Sergey L.; Canfield, Paul C.; Kaminski, Adam] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Liu, Chang; Kondo, Takeshi; Fernandes, Rafael M.; Palczewski, An D.; Mun, Eun Deok; Ni, Ni; Thaler, Alexander N.; Schmalian, Joerg; Bud'ko, Sergey L.; Canfield, Paul C.; Kaminski, Adam] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Bostwick, Aaron; Rotenberg, Eli] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Kaminski, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM kaminski@ameslab.gov RI Rotenberg, Eli/B-3700-2009; Schmalian, Joerg/H-2313-2011; Fernandes, Rafael/E-9273-2010; Bostwick, Aaron/E-8549-2010; Canfield, Paul/H-2698-2014; Thaler, Alexander/J-5741-2014; Kondo, Takeshi/H-2680-2016 OI Rotenberg, Eli/0000-0002-3979-8844; Thaler, Alexander/0000-0001-5066-8904; FU Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358]; US DOE [DE-AC03-76SF00098] FX We acknowledge Y. S. Kim for his excellent instrumental support at ALS. Ames Laboratory is supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358. ALS is operated by the US DOE under Contract No. DE-AC03-76SF00098. NR 29 TC 133 Z9 133 U1 10 U2 75 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 JUN PY 2010 VL 6 IS 6 BP 419 EP 423 DI 10.1038/NPHYS1656 PG 5 WC Physics, Multidisciplinary SC Physics GA 613WH UT WOS:000279014400012 ER PT J AU Sarovar, M Ishizaki, A Fleming, GR Whaley, KB AF Sarovar, Mohan Ishizaki, Akihito Fleming, Graham R. Whaley, K. Birgitta TI Quantum entanglement in photosynthetic light-harvesting complexes SO NATURE PHYSICS LA English DT Article ID EXCITATION-ENERGY TRANSFER; QUANTIFYING ENTANGLEMENT; ELECTRONIC SPECTROSCOPY; EXCITON DELOCALIZATION; PURPLE BACTERIA; COHERENCE; SYSTEMS; ANTENNA; PROTEIN; B850 AB Light-harvesting components of photosynthetic organisms are complex, coupled, many-body quantum systems, in which electronic coherence has recently been shown to survive for relatively long timescales, despite the decohering effects of their environments. Here, we analyse entanglement in multichromophoric light-harvesting complexes, and establish methods for quantification of entanglement by describing necessary and sufficient conditions for entanglement and by deriving a measure of global entanglement. These methods are then applied to the Fenna-Matthews-Olson protein to extract the initial state and temperature dependencies of entanglement. We show that, although the Fenna-Matthews-Olson protein in natural conditions largely contains bipartite entanglement between dimerized chromophores, a small amount of long-range and multipartite entanglement should exist even at physiological temperatures. This constitutes the first rigorous quantification of entanglement in a biological system. Finally, we discuss the practical use of entanglement in densely packed molecular aggregates such as light-harvesting complexes. C1 [Sarovar, Mohan; Whaley, K. Birgitta] Berkeley Ctr Quantum Informat & Computat, Berkeley, CA 94720 USA. [Sarovar, Mohan; Ishizaki, Akihito; Fleming, Graham R.; Whaley, K. Birgitta] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ishizaki, Akihito; Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Sarovar, M (reprint author), Berkeley Ctr Quantum Informat & Computat, Berkeley, CA 94720 USA. EM msarovar@berkeley.edu RI Sarovar, Mohan/B-5335-2012; Ishizaki, Akihito/A-7069-2010 OI Ishizaki, Akihito/0000-0002-0246-4461 FU DARPA [N66001-09-1-2026]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, US Department of Energy [DE-AC03-76SF000098]; Japan Society for the Promotion of Science (JSPS) FX We are grateful to Y-C. Cheng, J. Dawlaty, V. Vedral and M. Plenio for conversations and comments. This material is based on work supported by DARPA under award No N66001-09-1-2026. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences of the US Department of Energy under contract No DE-AC02-05CH11231 and by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, US Department of Energy under contract DE-AC03-76SF000098. A.I. appreciates the support of a Japan Society for the Promotion of Science (JSPS) Postdoctoral Fellowship for Research Abroad. NR 49 TC 300 Z9 302 U1 7 U2 86 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 JUN PY 2010 VL 6 IS 6 BP 462 EP 467 DI 10.1038/NPHYS1652 PG 6 WC Physics, Multidisciplinary SC Physics GA 613WH UT WOS:000279014400020 ER PT J AU Groves, JT Kuriyan, J AF Groves, Jay T. Kuriyan, John TI Molecular mechanisms in signal transduction at the membrane SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Review ID RAS ACTIVATOR SON; FLUID LIPID-MEMBRANES; CELL-RECEPTOR MICROCLUSTERS; PHASE-SEPARATION; NOONAN-SYNDROME; HISTONE DOMAIN; BIOLOGICAL-MEMBRANES; PROTEIN INTERACTIONS; ACTIN CYTOSKELETON; BILAYER MEMBRANES AB Signal transduction originates at the membrane, where the clustering of signaling proteins is a key step in transmitting a message. Membranes are difficult to study, and their influence on signaling is still only understood at the most rudimentary level. Recent advances in the biophysics of membranes, surveyed in this review, have highlighted a variety of phenomena that are likely to influence signaling activity, such as local composition heterogeneities and long-range mechanical effects. We discuss recent mechanistic insights into three signaling systems-Ras activation, Ephrin signaling and the control of actin nucleation-where the active role of membrane components is now appreciated and for which experimentation on the membrane is required for further understanding. C1 [Groves, Jay T.; Kuriyan, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Groves, Jay T.; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Groves, Jay T.; Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Groves, Jay T.; Kuriyan, John] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM Jtgroves@lbl.gov; kuriyan@berkeley.edu FU Howard Hughes Medical Institute NR 102 TC 114 Z9 118 U1 9 U2 82 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 JUN PY 2010 VL 17 IS 6 BP 659 EP 665 DI 10.1038/nsmb.1844 PG 7 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 606AU UT WOS:000278393400006 PM 20495561 ER PT J AU Dhawan, J Benveniste, H Nawrocky, M Smith, SD Biegon, A AF Dhawan, Jasbeer Benveniste, Helene Nawrocky, Marta Smith, S. David Biegon, Anat TI Transient focal ischemia results in persistent and widespread neuroinflammation and loss of glutamate NMDA receptors SO NEUROIMAGE LA English DT Article DE Stroke; Autoradiography; beta-imager; [H-3]PK11195; [H-3]MK801; Microglia; Neuroinflammation ID MIDDLE CEREBRAL-ARTERY; CLOSED-HEAD INJURY; METHYL-D-ASPARTATE; PERIPHERAL BENZODIAZEPINE-RECEPTORS; POSITRON-EMISSION-TOMOGRAPHY; BINDING-SITES; RAT-BRAIN; IN-VIVO; ACTIVATED MICROGLIA; COGNITIVE DEFICITS AB Stroke is accompanied by neuroinflammation in humans and animal models. To examine the temporal and anatomical profile of neuroinflammation and NMDA receptors (NMDAR) in a stroke model, rats (N=17) were subjected to a 90 min occlusion of the middle cerebral artery (MCAO) and compared to sham (N=5) and intact (N=4) controls. Striatal and parietal cortical infarction was confirmed by MRI 24 h after reperfusion. Animals were killed 14 or 30-40 days later and consecutive coronal cryostat sections were processed for quantitative autoradiography with the neuroinflammation marker [H-3]PK11195 and the NMDAR antagonist [H-3]MK801. Significantly increased specific binding of [H-3]PK11195 relative to nonischemic controls was observed in the ipsilateral striatum (>3 fold, p 0.0001), substantia innominata (>2 fold) with smaller (20%-80%) but statistically significant (p = 0.002-0.04) ipsilateral increases in other regions partially involved in the infarct such as the parietal and piriform cortex, and in the lateral septum, which was not involved in the infarct. Trends for increases in PBR density were also observed in the contralateral hemisphere. In the same animals, NMDAR specific binding was significantly decreased bilaterally in the septum, substantia innominata and ventral pallidum. Significant decreases were also seen in the ipsilateral striatum, accumbens, frontal and parietal cortex. The different anatomical distribution of the two phenomena suggests that neuroinflammation does not cause the observed reduction in NMDAR, though loss of NMDAR may be locally augmented in ipsilateral regions with intense neuroinflammation. Persistent, bilateral loss of NMDAR, probably reflecting receptor down regulation and internalization, may be responsible for some of the effects of stroke on cognitive function which cannot be explained by infarction alone. Published by Elsevier Inc. C1 [Dhawan, Jasbeer; Benveniste, Helene; Nawrocky, Marta; Smith, S. David; Biegon, Anat] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Benveniste, Helene] SUNY Stony Brook, Dept Anesthesia, Stony Brook, NY 11794 USA. RP Biegon, A (reprint author), Brookhaven Natl Lab, Dept Med, Bldg 490, Upton, NY 11973 USA. EM biegon@bnl.gov FU NIH [RO1 N5050285] FX Supported in part by NIH RO1 N5050285 to Anat Biegon. NR 57 TC 20 Z9 24 U1 0 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1053-8119 J9 NEUROIMAGE JI Neuroimage PD JUN PY 2010 VL 51 IS 2 BP 599 EP 605 DI 10.1016/j.neuroimage.2010.02.073 PG 7 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 589IT UT WOS:000277141200010 PM 20206701 ER PT J AU Volkow, ND Tomasi, D Wang, GJ Fowler, JS Telang, F Wang, RL Alexoff, D Logan, J Wong, C Pradhan, K Caparelli, EC Ma, YM Jayne, M AF Volkow, Nora D. Tomasi, Dardo Wang, Gene-Jack Fowler, Joanna S. Telang, Frank Wang, Ruiliang Alexoff, Dave Logan, Jean Wong, Christopher Pradhan, Kith Caparelli, Elisabeth C. Ma, Yeming Jayne, Millard TI Effects of low-field magnetic stimulation on brain glucose metabolism SO NEUROIMAGE LA English DT Article DE Brain imaging; Echo planar; Brain glucose metabolism; fMRI ID POSITRON-EMISSION-TOMOGRAPHY; CRANIAL ELECTROTHERAPY STIMULATION; ELECTROCONVULSIVE-THERAPY; GRADIENT COIL; LOW-FREQUENCY; DEPRESSION; CORTEX; MRI; FUTURE; INHIBITION AB Echo planar imaging (EPI), the gold standard technique for functional MRI (fMRI), is based on fast magnetic field gradient switching. These time-varying magnetic fields induce electric (E) fields in the brain that could influence neuronal activity; but this has not been tested. Here we assessed the effects of EPI on brain glucose metabolism (marker of brain function) using PET and 18F 2-fluoro-2-deoxy-D-glucose ((18)FDG). Fifteen healthy subjects were in a 4T magnet during the (18)FDG uptake period twice: with (ON) and without (OFF) EPI gradients pulses along the z-axis (G(z): 23 mT/m; 250 mu s rise-time; 920 Hz). The E-field from these EPI pulses is non-homogeneous, increasing linearly from the gradient's isocenter (radial and z directions), which allowed us to assess the correlation between local strength of the E-field and the regional metabolic differences between ON and OFF sessions. Metabolic images were normalized to metabolic activity in the plane positioned at the gradient's isocenter where E = 0 for both ON and OFF conditions. Statistical parametric analyses used to identify regions that differed between ON versus OFF (p<0.05, corrected) showed that the relative metabolism was lower in areas at the poles of the brain (inferior occipital and frontal and superior parietal cortices) for ON than for OFF, which was also documented with individual region of interest analysis. Moreover the magnitude of the metabolic decrements was significantly correlated with the estimated strength of E (r = 0.68, p<0.0001): the stronger the E-field the larger the decreases. However, we did not detect differences between ON versus OFF conditions on mood ratings nor on absolute whole brain metabolism. This data provides preliminary evidence that EPI sequences may affect neuronal activity and merits further investigation. Published by Elsevier Inc. C1 [Volkow, Nora D.] NIDA, Bethesda, MD 20892 USA. [Volkow, Nora D.; Tomasi, Dardo; Telang, Frank; Ma, Yeming; Jayne, Millard] NIAAA, Bethesda, MD 20892 USA. [Wang, Gene-Jack; Fowler, Joanna S.; Wang, Ruiliang; Alexoff, Dave; Logan, Jean; Wong, Christopher; Pradhan, Kith; Caparelli, Elisabeth C.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Volkow, ND (reprint author), NIDA, 6001 Execut Blvd,Room 5274,MSC 9581, Bethesda, MD 20892 USA. EM nvolkow@nida.nih.gov RI Tomasi, Dardo/J-2127-2015; OI Logan, Jean/0000-0002-6993-9994 FU NIH (NIAAA) FX We thank David Schlyer, Don Warner, Paul Vaska, Colleen Shea, Youwen Xu, Lisa Muench, Barbara Hubbard, Pauline Carter, Karen Apelskog, and Linda Thomas for their contributions. Research supported by NIH's Intramural Research Program (NIAAA). NR 46 TC 16 Z9 16 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 1053-8119 J9 NEUROIMAGE JI Neuroimage PD JUN PY 2010 VL 51 IS 2 BP 623 EP 628 DI 10.1016/j.neuroimage.2010.02.015 PG 6 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 589IT UT WOS:000277141200013 PM 20156571 ER PT J AU Deng, ZQ Mueller, RP Richmond, MC Johnson, GE AF Deng, Zhiqun Mueller, Robert P. Richmond, Marshall C. Johnson, Gary E. TI Injury and Mortality of Juvenile Salmon Entrained in a Submerged Jet Entering Still Water SO NORTH AMERICAN JOURNAL OF FISHERIES MANAGEMENT LA English DT Article ID RIVER-BASIN; FISH; MOVEMENT; BEHAVIOR; EXPOSURE; FLOW AB Development of more eco-friendly hydroelectric facilities requires better understanding of the biological response of juvenile fish when they migrate through the turbines and other downstream passage facilities. Juvenile fall Chinook salmon Oncorhynchus tshawytscha were exposed to turbulent shear flows in a laboratory by using a fast-fish-to-slow-water mechanism in which test fish were carried by the fast-moving water of a submerged turbulent jet into the slow-moving water of a flume. Fish were released at six nozzle velocities: 6.1 (reference control), 12.2, 15.2, 18.3, 21.3, and 22.9 m/s. The onset of minor and major injuries occurred at 15.2 and 21.3 m/s, respectively. The acceleration magnitude threshold (m/s(2)) of major injury for the fast-fish-to-slow-water mechanism in this study was found to be significantly higher than that for a slow-fish- to-fast-water mechanism used in a previous study in which test fish were introduced into a turbulent jet from slow-moving water through an introduction tube placed just outside the edge of the jet. Fish responded differently and sustained different injuries when they were subjected to turbulent shear flows under the two exposure mechanisms. This information is applicable to the design and operation of turbines and spillways because these two tested mechanisms simulate the severe hydraulic events fish usually experience during passage at hydropower dams. C1 [Deng, Zhiqun; Mueller, Robert P.; Richmond, Marshall C.; Johnson, Gary E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Deng, ZQ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM zhiqun.deng@pnl.gov RI Richmond, Marshall/D-3915-2013; Deng, Daniel/A-9536-2011 OI Richmond, Marshall/0000-0003-0111-1485; Deng, Daniel/0000-0002-8300-8766 NR 15 TC 11 Z9 11 U1 1 U2 17 PU AMER FISHERIES SOC PI BETHESDA PA 5410 GROSVENOR LANE SUITE 110, BETHESDA, MD 20814-2199 USA SN 0275-5947 J9 N AM J FISH MANAGE JI North Am. J. Fish Manage. PD JUN PY 2010 VL 30 IS 3 BP 623 EP 628 DI 10.1577/M09-153.1 PG 6 WC Fisheries SC Fisheries GA 625HB UT WOS:000279885000001 ER PT J AU Burkes, DE Prabhakaran, R Hartmann, T Jue, JF Rice, FJ AF Burkes, Douglas E. Prabhakaran, Ramprashad Hartmann, Thomas Jue, Jan-Fong Rice, Francine J. TI Properties of DU-10 wt% Mo alloys subjected to various post-rolling heat treatments SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID DU-XMO ALLOYS; MECHANICAL-PROPERTIES; URANIUM; MOLYBDENUM; TENSILE; CARBON AB Studies were completed to obtain mechanical properties of depleted uranium-molybdenum (U-Mo) alloys subjected to different post-processing treatments using microhardness, quasi-static tensile tests, and scanning electron microscopy failure analysis. U-Mo alloy foils are currently under investigation for potential fuel conversion of high power research reactors to low enriched uranium fuel. Although mechanical properties take on a secondary effect during irradiation, an understanding of the alloy behavior during fabrication and the effects of irradiation on the integrity of the fuel are essential. In general, the microhardness was insensitive to annealing temperature but decreased with annealing duration. Yield strength, Young's modulus, and ultimate tensile strength were affected in varying manners with both increasing annealing temperature and duration, and subjecting the alloy to rolling. The failure mode was insensitive to annealing conditions, but was significantly controlled by the impurity concentration of the alloy, especially carbon. Values obtained from literature are also provided with reasonable agreement based on extrapolation of annealing duration, even though processing conditions and applications were quite different in some instances. (C) 2010 Elsevier B.V. All rights reserved. C1 [Burkes, Douglas E.; Prabhakaran, Ramprashad; Hartmann, Thomas; Jue, Jan-Fong; Rice, Francine J.] Idaho Natl Lab, Nucl Fuels & Mat Div, Idaho Falls, ID 83415 USA. [Prabhakaran, Ramprashad] Univ Idaho, Dept Mat Sci & Engn, Moscow, ID 83844 USA. [Hartmann, Thomas] Univ Nevada, Harry Reid Ctr Environm Studies, Las Vegas, NV 89154 USA. RP Burkes, DE (reprint author), Idaho Natl Lab, Nucl Fuels & Mat Div, POB 1625, Idaho Falls, ID 83415 USA. EM Douglas.Burkes@inl.gov FU U.S. Government; U.S. Department of Energy, Office of the National Nuclear Security Administration (NNSA) [DE-AC07-05ID14517] FX U.S. Department of energy disclaimer: This information was prepared as an account of work sponsored by an agency of the U.S. Government. Neither the U.S. Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. References herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the U.S. Government or any agency thereof.; Work supported by the U.S. Department of Energy, Office of the National Nuclear Security Administration (NNSA), under DOE Idaho Operations Office Contract DE-AC07-05ID14517. The author's are especially grateful to the Fuels and Applied Sciences Building (FASB) and Electron Microscopy Laboratory (EML) Staff. The authors wish to specifically acknowledge Mr. Glenn Moore, Mr. Michael Chapple, Mr. Steven Steffler, Mr. Blair Park, Mrs. Terri Dixon, and Ms. Kristine Baker, for their assistance with fabrication, sample preparation, and material transfers related to these experiments. Finally, the authors would like to acknowledge the Health and Physics Staff for their continued support of this work in the FASB and EML facilities. NR 22 TC 20 Z9 20 U1 1 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD JUN PY 2010 VL 240 IS 6 BP 1332 EP 1339 DI 10.1016/j.nucengdes.2010.02.008 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 606QM UT WOS:000278442200006 ER PT J AU Martineau, RC Berry, RA Esteve, A Hamman, KD Knoll, DA Park, H Taitano, W AF Martineau, Richard C. Berry, Ray A. Esteve, Aurelia Hamman, Kurt D. Knoll, Dana A. Park, HyeongKae Taitano, William TI Comparison of natural convection flows under VHTR type conditions modeled by both the conservation and incompressible forms of the Navier-Stokes equations SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID LARGE TEMPERATURE DIFFERENCES; MACH NUMBER SOLVERS; BENCHMARK PROBLEM; SQUARE CAVITY AB This paper illustrates a comparative study to analyze the physical differences between numerical simulations obtained with both the conservation and incompressible forms of the Navier-Stokes equations for natural convection flows in simple geometries. The purpose of this study is to quantify how the incompressible flow assumption (which is based upon constant density advection, divergence-free flow, and the Boussinesq gravitational body force approximation) differs from the conservation form (which only assumes that the fluid is a continuum) when solving flows driven by gravity acting upon density variations resulting from local temperature gradients. Driving this study is the common use of the incompressible flow assumption in fluid flow simulations for nuclear power applications in natural convection flows subjected to a high heat flux (large temperature differences). A series of simulations were conducted on two-dimensional, differentially heated rectangular geometries and modeled with both hydrodynamic formulations. From these simulations, the selected characterization parameters of maximum Nusselt number, average Nusselt number, and normalized pressure reduction were calculated. Comparisons of these parameters were made with available benchmark solutions for air with the ideal gas assumption at both low and high heat fluxes. Additionally, we generated specific force quantities and velocity and temperature distributions to provide a basis for further analysis. The simulations and analysis were then extended to include helium at the Very High Temperature gas-cooled Reactor (VHTR) normal operating conditions. Our results show that the consequences of incorporating the incompressible flow assumption in high heat flux situations may lead to unrepresentative results. The results question the use of the incompressible flow assumption for simulating fluid flow in an operating nuclear reactor, where large temperature variations are present. (C) 2010 Elsevier B.V. All rights reserved. C1 [Martineau, Richard C.] Idaho Natl Lab, Dept Mat, Nucl Fuels & Mat Div, Idaho Falls, ID 83415 USA. RP Martineau, RC (reprint author), Idaho Natl Lab, Dept Mat, Nucl Fuels & Mat Div, POB 1625,MS 3860, Idaho Falls, ID 83415 USA. EM Richard.Martineau@inl.gov FU U.S. Government [DE-AC07-05ID14517 (INL/CON-08-15003)] FX The submitted paper has been authored by a contractor of the U.S. Government under Contract No. DE-AC07-05ID14517 (INL/CON-08-15003). Accordingly, the U.S. Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. NR 15 TC 3 Z9 3 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD JUN PY 2010 VL 240 IS 6 BP 1371 EP 1385 DI 10.1016/j.nucengdes.2010.01.022 PG 15 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 606QM UT WOS:000278442200010 ER PT J AU Saegusa, T Shirai, K Arai, T Tani, J Takeda, H Wataru, M Sasahara, A Winston, PL AF Saegusa, T. Shirai, K. Arai, T. Tani, J. Takeda, H. Wataru, M. Sasahara, A. Winston, P. L. TI REVIEW AND FUTURE ISSUES ON SPENT NUCLEAR FUEL STORAGE SO NUCLEAR ENGINEERING AND TECHNOLOGY LA English DT Review DE Spent Fuel Storage; Metal Cask Storage; Concrete Cask Storage; Spent Fuel Integrity; Full-scale Cask Tests ID REMOVAL VERIFICATION TESTS; CONCRETE CASKS; INTEGRITY AB The safety of metal cask and concrete cask storage technology has been verified by CRIEPI through several research programs on demonstrative testing for the interim storage of spent fuel. The results have been reflected in the safety requirements for dry casks issued by NISA/METI (Nuclear and Industrial Safety Agency, Ministry of Economy, Trade and Industry) of the Japanese government. On top of that, spent fuel integrity has been studied by the Japan Nuclear Energy Safety Organization (JNES). This paper reviews these research programs. Future issues include the long-term integrity of cask components and high burn-up spent fuel. C1 [Saegusa, T.; Shirai, K.; Arai, T.; Tani, J.; Takeda, H.; Wataru, M.; Sasahara, A.] CRIEPI, Chiba 2701194, Japan. [Winston, P. L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Saegusa, T (reprint author), CRIEPI, 1646 Abiko, Chiba 2701194, Japan. EM saegusa@criepi.denken.or.jp FU NISA/METI of the Japanese government FX Part of these works has been carried out under a contract from NISA/METI of the Japanese government. NR 19 TC 8 Z9 8 U1 2 U2 20 PU KOREAN NUCLEAR SOC PI DAEJEON PA NUTOPIA BLDG, 342-1 JANGDAE-DONG, DAEJEON, 305-308, SOUTH KOREA SN 1738-5733 J9 NUCL ENG TECHNOL JI Nucl. Eng. Technol. PD JUN PY 2010 VL 42 IS 3 BP 237 EP 248 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 623PF UT WOS:000279753600002 ER PT J AU Callen, JD Groebner, RJ Osborne, TH Canik, JM Owen, LW Pankin, AY Rafiq, T Rognlien, TD Stacey, WM AF Callen, J. D. Groebner, R. J. Osborne, T. H. Canik, J. M. Owen, L. W. Pankin, A. Y. Rafiq, T. Rognlien, T. D. Stacey, W. M. TI Analysis of pedestal plasma transport SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID NEUTRAL PARTICLE-TRANSPORT; FINITE ASPECT RATIO; DIII-D TOKAMAK; NEOCLASSICAL TRANSPORT; TURBULENCE SIMULATIONS; ASDEX-UPGRADE; BANANA REGIME; EDGE PHYSICS; MODEL; DENSITY AB An H-mode edge pedestal plasma transport benchmarking exercise was undertaken for a single DIII-D pedestal. Transport modelling codes used include 1.5D interpretive (ONETWO, GTEDGE), 1.5D predictive (ASTRA) and 2D ones (SOLPS, UEDGE). The particular DIII-D discharge considered is 98889, which has a typical low density pedestal. Profiles for the edge plasma are obtained from Thomson and charge-exchange recombination data averaged over the last 20% of the average 33.53 ms repetition time between type I edge localized modes. The modelled density of recycled neutrals is largest in the divertor X-point region and causes the edge plasma source rate to vary by a factor similar to 10(2) on the separatrix. Modelled poloidal variations in the densities and temperatures on flux surfaces are small on all flux surfaces up to within about 2.6 mm (rho(N) > 0.99) of the mid-plane separatrix. For the assumed Fick's-diffusion-type laws, the radial heat and density fluxes vary poloidally by factors of 2-3 in the pedestal region; they are largest on the outboard mid-plane where flux surfaces are compressed and local radial gradients are largest. Convective heat flows are found to be small fractions of the electron (less than or similar to 10%) and ion (less than or similar to 25%) heat flows in this pedestal. Appropriately averaging the transport fluxes yields interpretive 1.5D effective diffusivities that are smallest near the mid-point of the pedestal. Their 'transport barrier' minima are about 0.3 (electron heat), 0.15 (ion heat) and 0.035 (density) m(2) s(-1). Electron heat transport is found to be best characterized by electron-temperature-gradient-induced transport at the pedestal top and paleoclassical transport throughout the pedestal. The effective ion heat diffusivity in the pedestal has a different profile from the neoclassical prediction and may be smaller than it. The very small effective density diffusivity may be the result of an inward pinch flow nearly balancing a diffusive outward radial density flux. The inward ion pinch velocity and density diffusion coefficient are determined by a new interpretive analysis technique that uses information from the force balance (momentum conservation) equations; the paleoclassical transport model provides a plausible explanation of these new results. Finally, the measurements and additional modelling needed to facilitate better pedestal plasma transport modelling are discussed. C1 [Callen, J. D.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Groebner, R. J.; Osborne, T. H.] Gen Atom Co, San Diego, CA 92186 USA. [Canik, J. M.; Owen, L. W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Pankin, A. Y.; Rafiq, T.] Lehigh Univ, Dept Phys, Bethlehem, PA 18015 USA. [Rognlien, T. D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Stacey, W. M.] Georgia Tech, Atlanta, GA 30332 USA. RP Callen, JD (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. EM callen@engr.wisc.edu; groebner@fusion.gat.com OI Canik, John/0000-0001-6934-6681 NR 74 TC 47 Z9 47 U1 6 U2 23 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064004 DI 10.1088/0029-5515/50/6/064004 PG 23 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700005 ER PT J AU Canik, JM Sontag, AC Maingi, R Bell, R Gates, DA Gerhardt, SP Kugel, HW LeBlanc, BP Menard, J Paul, S Sabbagh, S Soukhanovskii, VA AF Canik, J. M. Sontag, A. C. Maingi, R. Bell, R. Gates, D. A. Gerhardt, S. P. Kugel, H. W. LeBlanc, B. P. Menard, J. Paul, S. Sabbagh, S. Soukhanovskii, V. A. TI Progress in the development of ELM pace-making with non-axisymmetric magnetic perturbations in NSTX SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID H-MODE; PEDESTAL; TOKAMAK; EDGE AB The application of non-axisymmetric magnetic perturbations has been shown to destabilize edge-localized modes (ELMs) in the National Spherical Torus Experiment. This ELM-triggering effect is used to controllably introduce ELMs into lithium-enhanced ELM-free H-mode discharges, reducing the typical impurity accumulation while maintaining high energy confinement. Recent improvements to the triggering techniques are described. The perturbation waveform has been improved, with large amplitude, short duration perturbations allowing rapid, highly reliable triggering, with reduced braking of toroidal rotation. The rapid triggering allowed the ELM frequency to be increased to over 60 Hz, leading to a reduction in the average ELM size. Combined with improved gas fuelling, this method has resulted in periods of stationary global conditions, although plasma profiles do continue to evolve. C1 [Canik, J. M.; Sontag, A. C.; Maingi, R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Bell, R.; Gates, D. A.; Gerhardt, S. P.; Kugel, H. W.; LeBlanc, B. P.; Menard, J.; Paul, S.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Sabbagh, S.] Columbia Univ, New York, NY 10027 USA. [Soukhanovskii, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Canik, JM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM canikjm@ornl.gov RI Sabbagh, Steven/C-7142-2011; OI Canik, John/0000-0001-6934-6681; Menard, Jonathan/0000-0003-1292-3286 NR 28 TC 12 Z9 12 U1 2 U2 5 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064016 DI 10.1088/0029-5515/50/6/064016 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700017 ER PT J AU Gerhardt, SP Ahn, JW Canik, JM Maingi, R Bell, R Gates, D Goldston, R Hawryluk, R Le Blanc, BP Menard, J Sontag, AC Sabbagh, S Tritz, K AF Gerhardt, S. P. Ahn, J-W. Canik, J. M. Maingi, R. Bell, R. Gates, D. Goldston, R. Hawryluk, R. Le Blanc, B. P. Menard, J. Sontag, A. C. Sabbagh, S. Tritz, K. TI First observation of ELM pacing with vertical jogs in a spherical torus SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID EDGE-LOCALIZED MODES; TIME EQUILIBRIUM RECONSTRUCTION; HEATED DIVERTOR DISCHARGES; H-MODE; ASDEX UPGRADE; TOKAMAK PLASMAS; HIGH-BETA; STABILITY LIMITS; I ELMS; NSTX AB Experiments in a number of conventional aspect ratio tokamaks have been successful in pacing edge localized modes (ELMs) by rapid vertical jogging of the plasma. This paper demonstrates the first pacing of ELMs in a spherical torus plasma. Applied 30 Hz vertical jogs synchronized the ELMs with the upward motion of the plasma. 45 Hz jogs also lead to an increase in the ELM frequency, though the synchronization of the ELMs and jogs was unclear. A reduction in the ELM energy was observed at the higher driven ELM frequencies. C1 [Gerhardt, S. P.; Bell, R.; Gates, D.; Goldston, R.; Hawryluk, R.; Le Blanc, B. P.; Menard, J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Ahn, J-W.; Canik, J. M.; Maingi, R.; Sontag, A. C.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Sabbagh, S.] Columbia Univ, New York, NY USA. [Tritz, K.] Johns Hopkins Univ, Baltimore, MD USA. RP Gerhardt, SP (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Sabbagh, Steven/C-7142-2011; OI Canik, John/0000-0001-6934-6681; Menard, Jonathan/0000-0003-1292-3286 NR 60 TC 11 Z9 11 U1 2 U2 13 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064015 DI 10.1088/0029-5515/50/6/064015 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700016 ER PT J AU Gohil, P Jernigan, TC Osborne, TH Scoville, JT Strait, EJ AF Gohil, P. Jernigan, T. C. Osborne, T. H. Scoville, J. T. Strait, E. J. TI The torque dependence of the H-mode power threshold in hydrogen, deuterium and helium plasmas in DIII-D SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID JET; TOKAMAK AB On DIII-D, the H-mode power threshold has been determined for hydrogen, deuterium and helium plasmas heated by neutral beam injection and/or by electron cyclotron heating and as a function of the applied torque plasmas for plasma configurations in the favourable ion grad-B drift direction. The H-mode threshold power has been determined to increase with input torque for all the main ion species (hydrogen, deuterium and helium). The H-mode threshold power for similar plasma parameters and configurations is the least for deuterium, followed by helium and hydrogen in that order. The plasma geometry also affects the power threshold, which is dependent on the X-point height. C1 [Gohil, P.; Osborne, T. H.; Scoville, J. T.; Strait, E. J.] Gen Atom Co, San Diego, CA 92186 USA. [Jernigan, T. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Gohil, P (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. NR 15 TC 16 Z9 16 U1 0 U2 5 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064011 DI 10.1088/0029-5515/50/6/064011 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700012 ER PT J AU Groebner, RJ Snyder, PB Osborne, TH Leonard, AW Rhodes, TL Zeng, L Unterberg, EA Yan, Z McKee, GR Lasnier, CJ Boedo, JA Watkins, JG AF Groebner, R. J. Snyder, P. B. Osborne, T. H. Leonard, A. W. Rhodes, T. L. Zeng, L. Unterberg, E. A. Yan, Z. McKee, G. R. Lasnier, C. J. Boedo, J. A. Watkins, J. G. TI Limits to the H-mode pedestal pressure gradient in DIII-D SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID TOKAMAK PLASMAS; TRANSPORT; CONFINEMENT; REGIME; EQUILIBRIA AB The spatial and temporal evolution of the total pedestal pressure profile has been measured during the pedestal evolution between successive edge localized modes (ELMs) of type-I ELMing H-mode discharges in DIII-D. Measurements are used to test a model that predicts that kinetic ballooning modes (KBMs) provide a strong constraint on the pedestal pressure gradient obtained during an inter-ELM cycle and cause the pedestal width to scale as the square root of the pedestal poloidal beta. Discharges in two different parameter regimes are examined for evidence that the evolution of the pressure gradient reaches a limit prior to the onset of an ELM. Both discharges show evidence of rapid evolution of the pressure profile very early in the recovery phase from an ELM. In one discharge, the pressure gradient reached approximate steady state within similar to 3 ms after the ELM event. In the other discharge, the pressure gradient just inboard of the last closed flux surface reached steady state early in the ELM recovery phase even as the pedestal expanded into the core and the maximum pressure gradient continued to rise during the remainder of the ELM cycle. Simple quantitative theoretical metrics show that pressure gradients in both discharges reached levels that were large enough to excite KBMs. In addition, the peeling-ballooning theory for the onset of type-I ELMs and the EPED1 model for pedestal height and width make predictions consistent with the data of both discharges. C1 [Groebner, R. J.; Snyder, P. B.; Osborne, T. H.; Leonard, A. W.] Gen Atom Co, San Diego, CA 92186 USA. [Rhodes, T. L.; Zeng, L.] Univ Calif Los Angeles, Los Angeles, CA USA. [Unterberg, E. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Yan, Z.; McKee, G. R.] Univ Wisconsin, Madison, WI 53706 USA. [Lasnier, C. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Boedo, J. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Watkins, J. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Groebner, RJ (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM groebner@fusion.gat.com RI Yan, Zheng/E-7005-2011; Unterberg, Ezekial/F-5240-2016 OI Unterberg, Ezekial/0000-0003-1353-8865 NR 34 TC 23 Z9 23 U1 3 U2 13 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064002 DI 10.1088/0029-5515/50/6/064002 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700003 ER PT J AU Hahm, TS AF Hahm, T. S. TI Special issue containing papers presented at the 12th International Workshop on H-mode Physics and Transport Barriers SO NUCLEAR FUSION LA English DT Editorial Material C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08544 USA. RP Hahm, TS (reprint author), Princeton Univ, Plasma Phys Lab, Princeton, NJ 08544 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 060201 DI 10.1088/0029-5515/50/6/060201 PG 1 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700001 ER PT J AU Hudson, B Evans, T Petty, C Snyder, P AF Hudson, B. Evans, T. Petty, C. Snyder, P. TI Dependence of resonant magnetic perturbation experiments on the DIII-D plasma shape SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID EDGE LOCALIZED MODES; D TOKAMAK; PROFILES; DESIGN; SUPPRESSION; DISCHARGES; STABILITY; PEDESTAL AB The shape of the cross-section of fusion plasma experiments in many devices is a key determinant of the resulting plasma characteristics. Experiments to attempt suppression of edge localized modes (ELMs) by the technique of resonant magnetic perturbation (RMP) were performed in the DIII-D tokamak in varying plasma shapes. It was found that while ELM suppression in a plasma shape similar to the ITER shape with a single magnetic null was possible, ELM suppression could not be attained in a balanced or upward-biased double-null (DN) shape, although the ELMs in the DN shape were smaller and of higher frequency than the ones before RMP was applied. Calculation of the peeling-ballooning stability of the plasma showed that the ELMing plasma is stable to type-I ELMs, suggesting the ELMs are of another type. C1 [Hudson, B.] Oak Ridge Inst Sci Educ, Oak Ridge, TN 37831 USA. [Evans, T.; Petty, C.; Snyder, P.] Gen Atom Co, San Diego, CA 92186 USA. RP Hudson, B (reprint author), Oak Ridge Inst Sci Educ, Oak Ridge, TN 37831 USA. NR 32 TC 6 Z9 6 U1 0 U2 5 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064005 DI 10.1088/0029-5515/50/6/064005 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700006 ER PT J AU Hughes, JW Hubbard, AE Wallace, G Greenwald, M LaBombard, B Lin, L McDermott, RM Parker, RR Reinke, ML Rice, JE Wilson, JR AF Hughes, J. W. Hubbard, A. E. Wallace, G. Greenwald, M. LaBombard, B. Lin, L. McDermott, R. M. Parker, R. R. Reinke, M. L. Rice, J. E. Wilson, J. R. TI Modification of H-mode pedestal structure with lower hybrid waves on Alcator C-Mod SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID SCRAPE-OFF LAYER; CURRENT DRIVE; PARAMETRIC-INSTABILITY; TOKAMAK; PLASMAS; EDGE AB The application of lower hybrid range of frequencies (LHRF) waves in H-mode plasmas on Alcator C-Mod can result in a significant reduction in core particle inventory, with no significant degradation of energy confinement. This phenomenon has been observed in steady enhanced D(a) (EDA) H-mode targets, which are sustained by ion cyclotron RF auxiliary heating, in which pedestal density n(ped) is usually tied firmly to plasma current I(P) and shows a strong resilience to changes in the edge neutral source. Upon application of up to 1 MW LHRF power, nped is reduced by up to 30%, while the temperature profile increases simultaneously such that the pressure pedestal remains constant or is slightly increased. Steady EDA H-mode operation with no edge-localized modes can be maintained while edge collisionality is reduced by factors of reduction of 2-4. Elevation of scrape-off layer (SOL) density and electric currents accompany the application of LHRF (at levels as low as 400 kW) with a fast time response (similar to 10(-2) s), while full density pedestal relaxation and core density reduction occur on longer time scales (similar to 10(-1) s). A similarly prompt counter-I(P) change in the edge toroidal velocity is also observed in response to LHRF, followed on longer time scales by a counter-I(P) change in the central rotation. The range of time scales of the plasma response may indicate that the radial locations of LHRF interactions (i.e. SOL versus core), and power deposition mechanisms, are evolving in time. Understanding the responsible physical mechanisms and applying them to a broad range of discharges could provide a tool for improved H-mode density control. C1 [Hughes, J. W.; Hubbard, A. E.; Wallace, G.; Greenwald, M.; LaBombard, B.; Lin, L.; McDermott, R. M.; Parker, R. R.; Reinke, M. L.; Rice, J. E.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Wilson, J. R.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Hughes, JW (reprint author), MIT, Plasma Sci & Fus Ctr, 175 Albany St, Cambridge, MA 02139 USA. RI Lin, Liang/H-2255-2011; OI Greenwald, Martin/0000-0002-4438-729X NR 23 TC 10 Z9 10 U1 2 U2 8 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064001 DI 10.1088/0029-5515/50/6/064001 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700002 ER PT J AU Maingi, R Kaye, SM Bell, RE Biewer, TM Chang, CS Gates, DA Gerhardt, SP Hosea, J LeBlanc, BP Meyer, H Mueller, D Park, GY Raman, R Sabbagh, SA Stevenson, TA Wilson, JR AF Maingi, R. Kaye, S. M. Bell, R. E. Biewer, T. M. Chang, C. S. Gates, D. A. Gerhardt, S. P. Hosea, J. LeBlanc, B. P. Meyer, H. Mueller, D. Park, G-Y. Raman, R. Sabbagh, S. A. Stevenson, T. A. Wilson, J. R. TI Overview of L-H power threshold studies in NSTX SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID SPHERICAL TORUS EXPERIMENT; DIII-D TOKAMAK; MODE THRESHOLD; PLASMAS; CONFINEMENT; PHYSICS; DYNAMICS; PEDESTAL; MAST AB A summary of results from recent L-H power threshold (P-LH) experiments in the National Spherical Torus Experiment is presented. First P-LH (normalized linearly by plasma density) was found to be a minimum in double-null configuration, tending to increase as the plasma was shifted more strongly towards lower-or upper-single null configuration with either neutral beam or rf heating. The measured P-LH/n(e) was comparable with neutral beam or rf heating, suggesting that rotation was not playing a dominant role in setting the value of P-LH. The role of triangularity (delta(bot)) in setting P-LH/n(e) is less clear: while 50% less auxiliary heating power was required to access H-mode at low dbot than at high dbot, the high dbot discharges had lower ohmic heating and higher dW/dt, leading to comparable loss of power over a range of dbot. In addition, the dependences of P-LH on the density, species (helium versus deuterium), plasma current, applied non-axisymmetric error fields and lithium wall conditioning are summarized. C1 [Maingi, R.; Biewer, T. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Kaye, S. M.; Bell, R. E.; Gates, D. A.; Gerhardt, S. P.; Hosea, J.; LeBlanc, B. P.; Mueller, D.; Stevenson, T. A.; Wilson, J. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Chang, C. S.; Park, G-Y.] NYU, New York, NY USA. [Raman, R.] Univ Washington, Seattle, WA 98195 USA. [Sabbagh, S. A.] Columbia Univ, New York, NY USA. RP Maingi, R (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Sabbagh, Steven/C-7142-2011; OI Biewer, Theodore/0000-0001-7456-3509 NR 33 TC 27 Z9 28 U1 2 U2 15 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064010 DI 10.1088/0029-5515/50/6/064010 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700011 ER PT J AU Owen, LW Canik, JM Groebner, RJ Callen, JD Bonnin, X Osborne, TH AF Owen, L. W. Canik, J. M. Groebner, R. J. Callen, J. D. Bonnin, X. Osborne, T. H. TI Comparing 1.5D ONETWO and 2D SOLPS analyses of inter-ELM H-mode plasma in DIII-D SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID TRANSPORT; EDGE; PROFILES AB ADIII-D inter-ELM H-mode plasma that is in approximate transport equilibrium is analysed with the 1.5D ONETWO core code and the 2D SOLPS code. In order to investigate the importance of core-edge coupling and 2D effects, including divertor fuelling across the X-point and poloidal asymmetries that are not explicitly included in ONETWO, the domain of SOLPS is extended to very near the magnetic axis. Two principal objectives are (1) to determine whether poloidal asymmetries in the plasma distributions are large enough to vitiate a core-type interpretive plasma transport analysis and (2) to determine whether the interpretive transport coefficients and neutral beam power and particle sources from ONETWO, when used in 2D SOLPS full plasma simulations, yield the same quality fits to the measured upstream density and temperature profiles as obtained with ONETWO. Results show that only a small increase in the separatrix value of the particle diffusion coefficient, and no change in the thermal diffusivities from ONETWO was needed to get excellent agreement of the upstream SOLPS density and temperature profiles and the Thomson scattering and CER data. Good agreement of the ONETWO and SOLPS flux surface averaged distributions of the core electron and D(+) densities and temperatures are also obtained. Likewise the C(6+) density, with a simple chemical sputtering model based on a constant fraction of the divertor D(+) flux, the core heat and particle fluxes and the neutral density reveal no 2D effects in the core/pedestal region that would vitiate a 1.5D treatment of the inter-ELM H-mode plasma. C1 [Owen, L. W.; Canik, J. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Groebner, R. J.; Osborne, T. H.] Gen Atom Co, San Diego, CA 92186 USA. [Callen, J. D.] Univ Wisconsin, Madison, WI 53706 USA. [Bonnin, X.] Univ Paris 13, CNRS, LIMHP, F-93430 Villetaneuse, France. RP Owen, LW (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM owenlw@ornl.gov OI Canik, John/0000-0001-6934-6681 NR 20 TC 5 Z9 5 U1 2 U2 12 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064017 DI 10.1088/0029-5515/50/6/064017 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700018 ER PT J AU Xu, XQ Bodi, K Cohen, RH Krasheninnikov, S Rognlien, TD AF Xu, X. Q. Bodi, K. Cohen, R. H. Krasheninnikov, S. Rognlien, T. D. TI TEMPEST simulations of the plasma transport in a single-null tokamak geometry SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab AB We present edge kinetic ion transport simulations of tokamak plasmas in magnetic divertor geometry using the fully nonlinear (full-f) continuum code TEMPEST. Besides neoclassical transport, a term for divergence of anomalous kinetic radial flux is added to mock up the effect of turbulent transport. To study the relative roles of neoclassical and anomalous transport, TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry, including the pedestal region that extends across the separatrix into the scrape-off layer and private flux region. A series of TEMPEST simulations were conducted to investigate the transition of midplane pedestal heat flux and flow from the neoclassical to the turbulent limit and the transition of divertor heat flux and flow from the kinetic to the fluid regime via an anomalous transport scan and a density scan. The TEMPEST simulation results demonstrate that turbulent transport (as modelled by large diffusion) plays a similar role to collisional decorrelation of particle orbits and that the large turbulent transport (large diffusion) leads to an apparent Maxwellianization of the particle distribution. We also show the transition of parallel heat flux and flow at the entrance to the divertor plates from the fluid to the kinetic regime. For an absorbing divertor plate boundary condition, a non-half-Maxwellian is found due to the balance between upstream radial anomalous transport and energetic ion endloss. C1 [Xu, X. Q.; Cohen, R. H.; Rognlien, T. D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bodi, K.; Krasheninnikov, S.] Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92093 USA. RP Xu, XQ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM xxu@llnl.gov NR 9 TC 4 Z9 4 U1 0 U2 2 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064003 DI 10.1088/0029-5515/50/6/064003 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700004 ER PT J AU Yoon, ES Hahm, TS AF Yoon, E. S. Hahm, T. S. TI Transport of parallel momentum by toroidal ion temperature gradient instability near marginality SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 12th International Workshop on H-mode Physics and Transport Barriers CY SEP 30-OCT 02, 2009 CL Plasma Phys Lab, Princeton, NJ HO Plasma Phys Lab ID C-MOD PLASMAS; OHMIC H-MODE; GYROKINETIC EQUATIONS; DRIFT INSTABILITIES; ROTATION; TOKAMAK; ELECTRON; JT-60U; CONFINEMENT; TURBULENCE AB The turbulent angular momentum flux carried by ions resonant with toroidal ion temperature gradient (ITG) instability is calculated via quasilinear calculation using the phase-space conserving gyrokinetic equation in the laboratory frame. The results near ITG marginality indicate that the inward turbulent equipartition momentum pinch (Hahm et al 2007 Phys. Plasmas 14 072302) remains as the most robust part of pinch. In addition, ITG driven momentum flux is inward for typical parameters, while density gradient driven momentum flux is outward as in the previous kinetic result in slab geometry (Diamond et al 2008 Phys. Plasmas 15 012303). C1 [Yoon, E. S.; Hahm, T. S.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Yoon, ES (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM tshahm@pppl.gov NR 53 TC 15 Z9 15 U1 0 U2 8 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2010 VL 50 IS 6 SI SI AR 064006 DI 10.1088/0029-5515/50/6/064006 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 602OC UT WOS:000278147700007 ER PT J AU Marsh, RA Shapiro, MA Temkin, RJ Smirnova, EI DeFordd, JF AF Marsh, Roark A. Shapiro, Michael A. Temkin, Richard J. Smirnova, Evgenya I. DeFordd, John F. TI Measurement of wakefields in a 17 GHz photonic bandgap accelerator structure SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Photonic band gap; Higher order mode damping; Wakefields ID POLARIZED BEAM DEFLECTOR; SHORT ELECTRON BUNCHES; CAVITY AB We report the experimental measurement of wakefields in a 17.14 GHz metallic photonic bandgap accelerator structure and its comparison with theory. Damping of wakefields is a critical issue in the next generation of high gradient electron accelerators, and photonic bandgap (PBG) structures have unique properties for suppressing and damping wakefields. In the experiments the wakefields were generated by passing an 18 MeV electron beam through the six cell 17.14 GHz structure. The wakefield radiation was measured at two locations: the structure output port, and at a window viewing port located at the side of the structure. The electron beam consisted of a train of bunches spaced at 17.14 GHz, so that only radiation at 17.14 GHz and its harmonics was observed. Wakefields at up to the fifth harmonic (85.7 GHz) were detected by a heterodyne receiver system. The wakefield power levels were measured at 17 and 34 GHz for average currents between 20 and 300 mA. The results were compared with full wakefield simulations using the code ANALYST. The measured power level at 17 GHz was in excellent agreement with the theoretical estimate, but the measured power at 34 GHz was significantly lower than the theoretical estimate. At both 17 and 34 GHz the measured power level increased as the beam current squared, as expected from theory. The experimental results demonstrate the weak excitation of high order mode wakefields in a photonic bandgap structure. (C) 2010 Elsevier B.V. All rights reserved. C1 [Marsh, Roark A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Marsh, Roark A.; Shapiro, Michael A.; Temkin, Richard J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Smirnova, Evgenya I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [DeFordd, John F.] Simulat Technol & Appl Res Inc, Mequon, WI 53092 USA. RP Marsh, RA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM marsh19@llnl.gov OI Simakov, Evgenya/0000-0002-7483-1152 FU Department of Energy, Division of High Energy Physics [DE-FG02-91ER40648] FX This work was supported by the Department of Energy, Division of High Energy Physics Contract no. DE-FG02-91ER40648. The authors gratefully acknowledge useful discussions with Jake Haimson, Amit Kesar, Cho Ng, and Kwok Ko; and experiment support from Ivan Mastovsky, Brian Munroe, and Emilio Nanni. NR 25 TC 10 Z9 10 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 16 EP 21 DI 10.1016/j.nima.2010.02.111 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000002 ER PT J AU McCarter, JL Stutzman, ML Trantham, KW Anderson, TG Cook, AM Gay, TJ AF McCarter, J. L. Stutzman, M. L. Trantham, K. W. Anderson, T. G. Cook, A. M. Gay, T. J. TI A low-voltage retarding-field Mott polarimeter for photocathode characterization SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Polarimeter; Mott; Polarization; Source ID ELECTRON-SPIN POLARIZATION; HIGH-EFFICIENCY; COMPACT; ANALYZER; GAAS; CALIBRATION; DETECTOR; TARGET AB Nuclear physics experiments at Thomas Jefferson National Accelerator Facility's CEBAF rely on high polarization electron beams. We describe a recently commissioned system for prequalifying and studying photocathodes for CEBAF with a load-locked, low-voltage polarized electron source coupled to a compact retarding-field Mott polarimeter. The polarimeter uses simplified electrode structures and operates from 5 to 30 kV. The effective Sherman function for this device has been calibrated by comparison with the CEBAF 5 MeV Mott polarimeter. For elastic scattering from a thick gold target at 20 keV, the effective Sherman function is 0.201(5). Its maximum efficiency at 20 keV, defined as the detected count rate divided by the incident particle current, is 5.4(2) x 10(-4), yielding a figure-of-merit, or analyzing power squared times efficiency, of 1.0(1) x 10(-5). The operating parameters of this new polarimeter design are compared to previously published data for other compact Mott polarimeters of the retarding-field type. (C) 2010 Elsevier B.V. All rights reserved. C1 [McCarter, J. L.; Stutzman, M. L.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [McCarter, J. L.] Univ Virginia, Dept Phys, Charlottesville, VA 22901 USA. [Trantham, K. W.] Ft Hays State Univ, Dept Phys, Hays, KS 67601 USA. [Cook, A. M.] Monmouth Coll, Monmouth, IL 61462 USA. [Anderson, T. G.; Gay, T. J.] Univ Nebraska, Behlen Lab Phys, Lincoln, NE 68588 USA. RP Stutzman, ML (reprint author), Thomas Jefferson Natl Accelerator Facil, 12050 Jefferson Ave,Suite 500, Newport News, VA 23606 USA. EM marcy@jlab.org FU US DOE [DE-AC05-06OR23177]; University of Nebraska [NSF PHY-0099363, PHY-0354946] FX Authored by Jefferson Science Associates, LLC under US DOE Contract no. DE-AC05-06OR23177. The US Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for US Government purposes. The Mott polarimeter was designed and built at the University of Nebraska under Grants NSF PHY-0099363 and PHY-0354946. NR 37 TC 4 Z9 4 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 30 EP 36 DI 10.1016/j.nima.2010.02.123 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000004 ER PT J AU Batygin, YK AF Batygin, Yuri K. TI Analytical treatment of particle-core interaction SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Particle-core; Space charge; Hamiltonian; Parametric resonance AB Particle-core interaction is a well-developed model of halo formation in high-intensity beams. In this paper, we present an analytical solution for averaged, single particle dynamics, around a uniformly charged beam. The problem is analyzed through a sequence of canonical transformations of the Hamiltonian, which describes nonlinear particle oscillations. A closed form expression for maximum particle deviation from the axis is obtained. The results of this study are in good agreement with numerical simulations and with previously obtained data. (C) 2010 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Batygin, YK (reprint author), Los Alamos Natl Lab, POB 1663 MS H817, Los Alamos, NM 87545 USA. EM batygin@lanl.gov NR 5 TC 5 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 37 EP 42 DI 10.1016/j.nima.2010.02.125 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000005 ER PT J AU Barletta, WA Bisognano, J Corlett, JN Emma, P Huang, Z Kim, KJ Lindberg, R Murphy, JB Neil, GR Nguyen, DC Pellegrini, C Rimmer, RA Sannibale, F Stupakov, G Walker, RP Zholents, AA AF Barletta, W. A. Bisognano, J. Corlett, J. N. Emma, P. Huang, Z. Kim, K. -J. Lindberg, R. Murphy, J. B. Neil, G. R. Nguyen, D. C. Pellegrini, C. Rimmer, R. A. Sannibale, F. Stupakov, G. Walker, R. P. Zholents, A. A. TI Free electron lasers: Present status and future challenges SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Free electron laser; FEL; Amplifier; Oscillator; SASE; HGHG; XFELO ID AMPLIFIED SPONTANEOUS-EMISSION; SOFT-X-RAY; GAIN HARMONIC-GENERATION; TESLA TEST FACILITY; FEL OSCILLATOR; STIMULATED-EMISSION; COHERENT RADIATION; MAGNETIC-FIELD; 1ST OPERATION; PHASE-SPACE AB With the scientific successes of the soft X-ray FLASH facility in Germany and the recent spectacular commissioning of the Linac Coherent Light Source at SLAC, free electron lasers are poised to take center stage as the premier source of tunable, intense, coherent photons of either ultra-short time resolution or ultra-fine spectral resolution, from the far infrared to the hard X-ray regime. This paper examines the state of the art in FEL performance and the underlying enabling technologies. It evaluates the state of readiness of the three basic machine architectures-SASE FELs, seeded FELs, and FEL oscillators for the major X-ray science user facilities on the 5-10 years time scale and examines the challenges that lie ahead for FELs to achieve their full potential throughout the entire spectral range. In soft and hard X-rays, high longitudinal coherence, in addition to full transverse coherence, will be the key performance upgrade; ideas using laser-based or self-seeding or oscillators can be expected to be qualitatively superior to today's SASE sources. Short pulses, from femtoseconds to attoseconds, can be realistically envisioned. With high repetition rate electron sources coupled to superconducting radiofrequency linear accelerators, unprecedented average beam brightness will be possible and many users would be served simultaneously by a single accelerator complex. (C) 2010 Elsevier B.V. All rights reserved. C1 [Barletta, W. A.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Kim, K. -J.; Lindberg, R.; Zholents, A. A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Pellegrini, C.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Walker, R. P.] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England. [Corlett, J. N.; Sannibale, F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Nguyen, D. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Murphy, J. B.] Natl Synchrotron Light Source, Upton, NY 11973 USA. [Emma, P.; Huang, Z.; Stupakov, G.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Bisognano, J.] Univ Wisconsin, Ctr Synchrotron Radiat, Stoughton, WI 53589 USA. [Neil, G. R.; Rimmer, R. A.] Thomas Jefferson Natl Accelerator Lab, Newport News, VA 23606 USA. RP Barletta, WA (reprint author), MIT, Dept Phys, Bldg 26-563,77 Massachusetts Ave, Cambridge, MA 02139 USA. EM jbm@bnl.gov OI Nguyen, Dinh/0000-0001-8017-6599 NR 224 TC 53 Z9 55 U1 3 U2 40 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 69 EP 96 DI 10.1016/j.nima.2010.02.274 PG 28 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000009 ER PT J AU Brown, K Ahrens, L Chiang, IH Gardner, C Gassner, D Hammons, L Harvey, M Kling, N Morris, J Pile, P Rusek, A Sivertz, M Steski, D Tsoupas, N Zeno, K AF Brown, Kevin Ahrens, Leif Chiang, I. Hung Gardner, Christopher Gassner, David Hammons, Lee Harvey, Margaret Kling, Nicholas Morris, John Pile, Phillip Rusek, Adam Sivertz, Mike Steski, Dannie Tsoupas, Nick Zeno, Keith TI The NASA Space Radiation Laboratory at Brookhaven National Laboratory: Preparation and delivery of ion beams for space radiation research SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Accelerator; Space radiation; Heavy ion; NSRL AB The NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory (BNL) was commissioned in October 2002 and became operational in July 2003. The NSRL was constructed in collaboration with NASA for the purpose of performing space radiation research as part of the NASA space program. The NSRL can accept a wide variety of ions from BNL's Collider Accelerator Department (CAD) Booster accelerator. These ion beams are extracted from the accelerator with kinetic energies ranging from 0.05 to 3 GeV/nucleon. Many different beam conditions have been produced for experiments at NSRL The facilities at BNL and the design of the NSRL facility permit a wide variety of beams to be produced with a great degree of flexibility in the delivery of ion beams to experiments. In this report we will describe the facility and its performance over the eight experimental run periods that have taken place since it became operational. We will also describe the current and future capabilities of the NSRL. (C) 2010 Elsevier B.V. All rights reserved. C1 [Brown, Kevin; Ahrens, Leif; Chiang, I. Hung; Gardner, Christopher; Gassner, David; Hammons, Lee; Harvey, Margaret; Kling, Nicholas; Morris, John; Pile, Phillip; Rusek, Adam; Sivertz, Mike; Steski, Dannie; Tsoupas, Nick; Zeno, Keith] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. RP Sivertz, M (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. EM sivertz@bnl.gov RI Hammons, Lee/D-6041-2013 OI Hammons, Lee/0000-0001-7066-8960 FU United States Department of Energy [DE-AC02-98CH10886]; NASA FX We thank the Collider Accelerator Department main control room staff and the operations support technicians both of whom keep the NSRL running smoothly and Paul Sampson who endeavors to keep the main control room staff and support technicians trained in NSRL operations. We wish to acknowledge Dave Phillips and Charles Pearson who are the engineers that support and maintain the NSRL facility. In the controls group, Ted D'Ottavio, Larry Hoff, Dan Ottavio, Bob Olsen, and Sev Binello have done tremendous work in providing application interfaces to the NSRL controls. We wish to acknowledge Derek Lowenstein for his strong support of NSRL and the NASA mission. This work was performed under the United States Department of Energy Contract Number DE-AC02-98CH10886 and with support of NASA. NR 23 TC 3 Z9 3 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 97 EP 107 DI 10.1016/j.nima.2010.02.276 PG 11 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000010 ER PT J AU Yeh, M Cumming, JB Hans, S Hahn, RL AF Yeh, M. Cumming, J. B. Hans, S. Hahn, R. L. TI Purification of lanthanides for large neutrino detectors: Thorium removal from gadolinium chloride SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Gadolinium; Metal-loaded liquid scintillator; Neutrino oscillations; Lanthanide purification; Thorium ID LIQUID SCINTILLATOR; OSCILLATIONS; SOLUBILITY; HYDROXIDE; REACTORS AB Metal-loaded liquid scintillators are the detectors of choice for various neutrino experiments. Procedures have been developed to transfer metals into organic liquids by solvent extraction or direct dissolution of a metallic compound. Traces of natural radioactivity introduced into the scintillator with the metal may produce undesirable backgrounds. Measurements using a Th-229 tracer indicate that the inclusion of a pH-controlled partial hydrolysis and filtration prior to the preparation of a gadolinium-loading compound can reduce thorium by a factor of similar to 100. This "self-scavenging" procedure has the advantage that it uses only reagents encountered in the production process. Addition of non-elemental scavengers such as iron, or the use of solvent extraction or ion exchange procedures can be avoided. It also improves the optical transmission in the blue region by removing traces of iron. This purification method has potential applications to the large-scale production of other metal-loaded liquid scintillators and for the removal of traces of thorium in the industrial production of lanthanides. Published by Elsevier B.V. C1 [Yeh, M.; Cumming, J. B.; Hans, S.; Hahn, R. L.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yeh, M (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM yeh@bnl.gov RI Cumming, James/I-3358-2013 OI Cumming, James/0000-0001-6930-0958 FU Office of Nuclear Physics, Office of High Energy Physics, US Department of Energy [DE-AC02-98CH10886] FX The authors would like to thank R. Rosero for sample preparations and K.B. Luk, J. Cao, and Y. Ding for interesting discussions. This work conducted at Brookhaven National Laboratory was supported by the Office of Nuclear Physics, Office of High Energy Physics, US Department of Energy under Contract DE-AC02-98CH10886. NR 14 TC 9 Z9 9 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 124 EP 130 DI 10.1016/j.nima.2010.02.124 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000013 ER PT J AU Abbasi, R Abdou, Y Abu-Zayyad, T Adams, J Aguilar, JA Ahlers, M Andeen, K Auffenberg, J Bai, X Baker, M Barwick, SW Bay, R Alba, JLB Beattie, K Beatty, JJ Bechet, S Becker, JK Becker, KH Benabderrahmane, ML Berdermann, J Berghaus, P Berley, D Bernardini, E Bertrand, D Besson, DZ Bissok, M Blaufuss, E Boersma, DJ Bohm, C Botner, O Bradley, L Braun, J Buitink, S Carson, M Chirkin, D Christy, B Clem, J Cohen, S Colnard, C Cowen, DF D'Agostino, MV Danninger, M De Clercq, C Demirors, L Depaepe, O Descamps, F Desiati, P de Vries-Uiterweerd, G DeYoung, T Diaz-Velez, JC Dreyer, J Dumm, JP Duvoort, MR Ehrlich, R Eisch, J Ellsworth, RW Engdegard, O Euler, S Evenson, PA Fadiran, O Fazely, AR Feusels, T Filimonov, K Finley, C Foerster, MM Fox, BD Franckowiak, A Franke, R Gaisser, TK Gallagher, J Ganugapati, R Geisler, M Gerhardt, L Gladstone, L Goldschmidt, A Goodman, JA Grant, D Griesel, T Gross, A Grullon, S Gunasingha, RM Gurtner, M Ha, C Hallgren, A Halzen, F Han, K Hanson, K Hasegawa, Y Haugen, J Helbing, K Herquet, P Hickford, S Hill, GC Hoffman, KD Homeier, A Hoshina, K Hubert, D Huelsnitz, W Hulss, JP Hulth, PO Hultqvist, K Hussain, S Imlay, RL Inaba, M Ishihara, A Jacobsen, J Japaridze, GS Johansson, H Joseph, JM Kampert, KH Kappes, A Karg, T Karle, A Kelley, JL Kemming, N Kenny, P Kiryluk, J Kislat, F Kitamura, N Klein, SR Knops, S Kohnen, G Kolanoski, H Kopke, L Koskinen, DJ Kowalski, M Kowarik, T Krasberg, M Krings, T Kroll, G Kuehn, K Kuwabara, T Labare, M Lafebre, S Laihem, K Landsman, H Lauer, R Laundrie, A Lehmann, R Lennarz, D Lunemann, J Madsen, J Majumdar, P Maruyama, R Mase, K Matis, HS Matusik, M Meagher, K Merck, M Meszaros, P Meures, T Middell, E Milke, N Miyamoto, H Montaruli, T Morse, R Movit, SM Nahnhauer, R Nam, JW Naumann, U Niessen, P Nygren, DR Odrowski, S Olivas, A Olivo, M Ono, M Panknin, S Paul, L de los Heros, CP Petrovic, J Piegsa, A Pieloth, D Pohl, AC Porrata, R Posselt, J Price, PB Prikockis, M Przybylski, GT Rawlins, K Redl, P Resconi, E Rhode, W Ribordy, M Rizzo, A Robl, P Rodrigues, JP Roth, P Rothmaier, F Rott, C Roucelle, C Rutledge, D Ruzybayev, B Ryckbosch, D Sander, HG Sandstrom, P Sarkar, S Schatto, K Schlenstedt, S Schmidt, T Schneider, D Schukraft, A Schultes, A Schulz, O Schunck, M Seckel, D Semburg, B Seo, SH Sestayo, Y Seunarine, S Silvestri, A Slipak, A Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stephens, G Stezelberger, T Stokstad, RG Stoyanov, S Strahler, EA Straszheim, T Sullivan, GW Swillens, Q Taboada, I Tamburro, A Tarasova, O Tepe, A Ter-Antonyan, S Terranova, C Tilav, S Toale, PA Tosi, D Turcan, D van Eijndhoven, N Vandenbroucke, J Van Overloop, A van Santen, J Voigt, B Wahl, D Walck, C Waldenmaier, T Wallraff, M Walter, M Wendt, C Westerhoff, S Whitehorn, N Wiebe, K Wiebusch, CH Wikstrom, G Williams, DR Wischnewski, R Wissing, H Woschnagg, K Xu, C Xu, XW Yodh, G Yoshida, S Zarzhitsky, P AF Abbasi, R. Abdou, Y. Abu-Zayyad, T. Adams, J. Aguilar, J. A. Ahlers, M. Andeen, K. Auffenberg, J. Bai, X. Baker, M. Barwick, S. W. Bay, R. Alba, J. L. Bazo Beattie, K. Beatty, J. J. Bechet, S. Becker, J. K. Becker, K. -H. Benabderrahmane, M. L. Berdermann, J. Berghaus, P. Berley, D. Bernardini, E. Bertrand, D. Besson, D. Z. Bissok, M. Blaufuss, E. Boersma, D. J. Bohm, C. Botner, O. Bradley, L. Braun, J. Buitink, S. Carson, M. Chirkin, D. Christy, B. Clem, J. Cohen, S. Colnard, C. Cowen, D. F. D'Agostino, M. V. Danninger, M. De Clercq, C. Demiroers, L. Depaepe, O. Descamps, F. Desiati, P. de Vries-Uiterweerd, G. DeYoung, T. Diaz-Velez, J. C. Dreyer, J. Dumm, J. P. Duvoort, M. R. Ehrlich, R. Eisch, J. Ellsworth, R. W. Engdegard, O. Euler, S. Evenson, P. A. Fadiran, O. Fazely, A. R. Feusels, T. Filimonov, K. Finley, C. Foerster, M. M. Fox, B. D. Franckowiak, A. Franke, R. Gaisser, T. K. Gallagher, J. Ganugapati, R. Geisler, M. Gerhardt, L. Gladstone, L. Goldschmidt, A. Goodman, J. A. Grant, D. Griesel, T. Gross, A. Grullon, S. Gunasingha, R. M. Gurtner, M. Ha, C. Hallgren, A. Halzen, F. Han, K. Hanson, K. Hasegawa, Y. Haugen, J. Helbing, K. Herquet, P. Hickford, S. Hill, G. C. Hoffman, K. D. Homeier, A. Hoshina, K. Hubert, D. Huelsnitz, W. Huelss, J.-P. Hulth, P. O. Hultqvist, K. Hussain, S. Imlay, R. L. Inaba, M. Ishihara, A. Jacobsen, J. Japaridze, G. S. Johansson, H. Joseph, J. M. Kampert, K. -H. Kappes, A. Karg, T. Karle, A. Kelley, J. L. Kemming, N. Kenny, P. Kiryluk, J. Kislat, F. Kitamura, N. Klein, S. R. Knops, S. Kohnen, G. Kolanoski, H. Koepke, L. Koskinen, D. J. Kowalski, M. Kowarik, T. Krasberg, M. Krings, T. Kroll, G. Kuehn, K. Kuwabara, T. Labare, M. Lafebre, S. Laihem, K. Landsman, H. Lauer, R. Laundrie, A. Lehmann, R. Lennarz, D. Luenemann, J. Madsen, J. Majumdar, P. Maruyama, R. Mase, K. Matis, H. S. Matusik, M. Meagher, K. Merck, M. Meszaros, P. Meures, T. Middell, E. Milke, N. Miyamoto, H. Montaruli, T. Morse, R. Movit, S. M. Nahnhauer, R. Nam, J. W. Naumann, U. Niessen, P. Nygren, D. R. Odrowski, S. Olivas, A. Olivo, M. Ono, M. Panknin, S. Paul, L. de los Heros, C. Perez Petrovic, J. Piegsa, A. Pieloth, D. Pohl, A. C. Porrata, R. Posselt, J. Price, P. B. Prikockis, M. Przybylski, G. T. Rawlins, K. Redl, P. Resconi, E. Rhode, W. Ribordy, M. Rizzo, A. Robl, P. Rodrigues, J. P. Roth, P. Rothmaier, F. Rott, C. Roucelle, C. Rutledge, D. Ruzybayev, B. Ryckbosch, D. Sander, H. -G. Sandstrom, P. Sarkar, S. Schatto, K. Schlenstedt, S. Schmidt, T. Schneider, D. Schukraft, A. Schultes, A. Schulz, O. Schunck, M. Seckel, D. Semburg, B. Seo, S. H. Sestayo, Y. Seunarine, S. Silvestri, A. Slipak, A. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stephens, G. Stezelberger, T. Stokstad, R. G. Stoyanov, S. Strahler, E. A. Straszheim, T. Sullivan, G. W. Swillens, Q. Taboada, I. Tamburro, A. Tarasova, O. Tepe, A. Ter-Antonyan, S. Terranova, C. Tilav, S. Toale, P. A. Tosi, D. Turcan, D. van Eijndhoven, N. Vandenbroucke, J. Van Overloop, A. van Santen, J. Voigt, B. Wahl, D. Walck, C. Waldenmaier, T. Wallraff, M. Walter, M. Wendt, C. Westerhoff, S. Whitehorn, N. Wiebe, K. Wiebusch, C. H. Wikstrom, G. Williams, D. R. Wischnewski, R. Wissing, H. Woschnagg, K. Xu, C. Xu, X. W. Yodh, G. Yoshida, S. Zarzhitsky, P. TI Calibration and characterization of the IceCube photomultiplier tube SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE PMT; Neutrino; Cosmic rays; Ice; Cherenkov ID NEUTRINO TELESCOPE; RAYLEIGH-SCATTERING; LIGHT; DETECTOR; WATER AB Over 5000 PMTs are being deployed at the South Pole to compose the IceCube neutrino observatory. Many are placed deep in the ice to detect Cherenkov light emitted by the products of high-energy neutrino interactions, and others are frozen into tanks on the surface to detect particles from atmospheric cosmic ray showers. IceCube is using the 10-in. diameter R7081-02 made by Hamamatsu Photonics. This paper describes the laboratory characterization and calibration of these PMTs before deployment. PMTs were illuminated with pulses ranging from single photons to saturation level. Parameterizations are given for the single photoelectron charge spectrum and the saturation behavior. Time resolution, late pulses and afterpulses are characterized. Because the PMTs are relatively large, the cathode sensitivity uniformity was measured. The absolute photon detection efficiency was calibrated using Rayleigh-scattered photons from a nitrogen laser. Measured characteristics are discussed in the context of their relevance to IceCube event reconstruction and simulation efforts. (C) 2010 Elsevier B.V. All rights reserved. C1 [Hasegawa, Y.; Inaba, M.; Ishihara, A.; Mase, K.; Miyamoto, H.; Ono, M.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba 2638522, Japan. [Bissok, M.; Boersma, D. J.; Euler, S.; Geisler, M.; Huelss, J.-P.; Knops, S.; Krings, T.; Laihem, K.; Lennarz, D.; Meures, T.; Paul, L.; Schukraft, A.; Schunck, M.; Wallraff, M.; Wiebusch, C. H.] Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. [Williams, D. R.; Zarzhitsky, P.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Rawlins, K.] Univ Alaska Anchorage, Dept Phys & Astron, Anchorage, AK 99508 USA. [Fadiran, O.; Japaridze, G. S.] Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. [Taboada, I.; Tepe, A.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Taboada, I.; Tepe, A.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Fazely, A. R.; Gunasingha, R. M.; Imlay, R. L.; Ter-Antonyan, S.; Xu, X. W.] Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Bay, R.; D'Agostino, M. V.; Filimonov, K.; Gerhardt, L.; Kiryluk, J.; Klein, S. R.; Porrata, R.; Price, P. B.; Vandenbroucke, J.; Woschnagg, K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Beattie, K.; Buitink, S.; Gerhardt, L.; Goldschmidt, A.; Joseph, J. M.; Kiryluk, J.; Klein, S. R.; Matis, H. S.; Nygren, D. R.; Przybylski, G. T.; Stezelberger, T.; Stokstad, R. G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Franckowiak, A.; Homeier, A.; Kemming, N.; Kolanoski, H.; Lehmann, R.; Panknin, S.; van Santen, J.; Waldenmaier, T.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Becker, J. K.; Dreyer, J.; Olivo, M.] Ruhr Univ Bochum, Fak Phys & Astron, D-44780 Bochum, Germany. [Kowalski, M.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Bechet, S.; Bertrand, D.; Labare, M.; Petrovic, J.; Swillens, Q.] Univ Libre Brussels, Sci Fac CP230, B-1050 Brussels, Belgium. [De Clercq, C.; Depaepe, O.; Hubert, D.; Rizzo, A.; Strahler, E. A.; van Eijndhoven, N.] Vrije Univ Brussel, Dienst ELEM, B-1050 Brussels, Belgium. [Adams, J.; Gross, A.; Han, K.; Hickford, S.; Seunarine, S.] Univ Canterbury, Dept Phys & Astron, Christchurch, New Zealand. [Berley, D.; Blaufuss, E.; Christy, B.; Ehrlich, R.; Ellsworth, R. W.; Goodman, J. A.; Hoffman, K. D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Roth, P.; Schmidt, T.; Straszheim, T.; Sullivan, G. W.; Turcan, D.; Wissing, H.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Beatty, J. J.; Kuehn, K.; Rott, C.; Stamatikos, M.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Beatty, J. J.; Kuehn, K.; Rott, C.; Stamatikos, M.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Beatty, J. J.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Dreyer, J.; Milke, N.; Pieloth, D.; Rhode, W.] TU Dortmund Univ, Dept Phys, D-44221 Dortmund, Germany. [Abdou, Y.; Carson, M.; Descamps, F.; de Vries-Uiterweerd, G.; Feusels, T.; Ryckbosch, D.; Van Overloop, A.] Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. [Colnard, C.; Gross, A.; Odrowski, S.; Resconi, E.; Roucelle, C.; Schulz, O.; Sestayo, Y.] Max Planck Inst Kernphys, D-69177 Heidelberg, Germany. [Barwick, S. W.; Nam, J. W.; Silvestri, A.; Yodh, G.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Cohen, S.; Demiroers, L.; Ribordy, M.; Terranova, C.] Ecole Polytech Fed Lausanne, High Energy Phys Lab, CH-1015 Lausanne, Switzerland. [Besson, D. Z.; Kenny, P.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Gallagher, J.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Abbasi, R.; Aguilar, J. A.; Andeen, K.; Baker, M.; Berghaus, P.; Braun, J.; Chirkin, D.; Desiati, P.; Diaz-Velez, J. C.; Dumm, J. P.; Eisch, J.; Ganugapati, R.; Gladstone, L.; Grullon, S.; Halzen, F.; Hanson, K.; Haugen, J.; Hill, G. C.; Hoshina, K.; Jacobsen, J.; Kappes, A.; Karle, A.; Kelley, J. L.; Kitamura, N.; Krasberg, M.; Landsman, H.; Laundrie, A.; Maruyama, R.; Merck, M.; Montaruli, T.; Morse, R.; Rodrigues, J. P.; Sandstrom, P.; Schneider, D.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Robl, P.; Wahl, D.] Univ Wisconsin, Phys Sci Lab, Madison, WI 53706 USA. [Griesel, T.; Koepke, L.; Kowarik, T.; Kroll, G.; Luenemann, J.; Piegsa, A.; Rothmaier, F.; Sander, H. -G.; Schatto, K.; Wiebe, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Herquet, P.; Kohnen, G.] Univ Mons, B-7000 Mons, Belgium. [Bai, X.; Clem, J.; Evenson, P. A.; Gaisser, T. K.; Hussain, S.; Kuwabara, T.; Niessen, P.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Stoyanov, S.; Tilav, S.; Xu, C.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Bai, X.; Clem, J.; Evenson, P. A.; Gaisser, T. K.; Hussain, S.; Kuwabara, T.; Niessen, P.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Stoyanov, S.; Tilav, S.; Xu, C.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Ahlers, M.; Sarkar, S.] Univ Oxford, Dept Phys, Oxford OX1 3NP, England. [Abu-Zayyad, T.; Madsen, J.; Spiczak, G. M.; Tamburro, A.] Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. [Bohm, C.; Danninger, M.; Finley, C.; Hulth, P. O.; Hultqvist, K.; Johansson, H.; Seo, S. H.; Walck, C.; Wikstrom, G.] Stockholm Univ, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. [Bohm, C.; Danninger, M.; Finley, C.; Hulth, P. O.; Hultqvist, K.; Johansson, H.; Seo, S. H.; Walck, C.; Wikstrom, G.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Cowen, D. F.; Meszaros, P.; Movit, S. M.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Bradley, L.; Cowen, D. F.; DeYoung, T.; Foerster, M. M.; Fox, B. D.; Grant, D.; Ha, C.; Koskinen, D. J.; Lafebre, S.; Meszaros, P.; Prikockis, M.; Rutledge, D.; Slipak, A.; Stephens, G.; Toale, P. A.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Botner, O.; Engdegard, O.; Hallgren, A.; Olivo, M.; de los Heros, C. Perez; Pohl, A. C.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Duvoort, M. R.] Univ Utrecht, Dept Phys & Astron, SRON, NL-3584 CC Utrecht, Netherlands. [Auffenberg, J.; Becker, K. -H.; Gurtner, M.; Helbing, K.; Kampert, K. -H.; Karg, T.; Matusik, M.; Naumann, U.; Posselt, J.; Schultes, A.; Semburg, B.] Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Alba, J. L. Bazo; Benabderrahmane, M. L.; Berdermann, J.; Bernardini, E.; Franke, R.; Kislat, F.; Lauer, R.; Majumdar, P.; Middell, E.; Nahnhauer, R.; Schlenstedt, S.; Spiering, C.; Tarasova, O.; Tosi, D.; Voigt, B.; Walter, M.; Wischnewski, R.] DESY, D-15735 Zeuthen, Germany. RP Mase, K (reprint author), Chiba Univ, Dept Phys, Chiba 2638522, Japan. EM mase@hepburn.s.chiba-u.ac.p; chris.wendt@icecube.wisc.edu; syoshida@hepburn.s.chiba-u.ac.jp RI Aguilar Sanchez, Juan Antonio/H-4467-2015; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011; Beatty, James/D-9310-2011; Wiebusch, Christopher/G-6490-2012; Tamburro, Alessio/A-5703-2013; Botner, Olga/A-9110-2013; Hallgren, Allan/A-8963-2013; Tjus, Julia/G-8145-2012; Auffenberg, Jan/D-3954-2014; Koskinen, David/G-3236-2014 OI Perez de los Heros, Carlos/0000-0002-2084-5866; Carson, Michael/0000-0003-0400-7819; Hubert, Daan/0000-0002-4365-865X; Benabderrahmane, Mohamed Lotfi/0000-0003-4410-5886; Aguilar Sanchez, Juan Antonio/0000-0003-2252-9514; Maruyama, Reina/0000-0003-2794-512X; Sarkar, Subir/0000-0002-3542-858X; Beatty, James/0000-0003-0481-4952; Ter-Antonyan, Samvel/0000-0002-5788-1369; Schukraft, Anne/0000-0002-9112-5479; Wiebusch, Christopher/0000-0002-6418-3008; Auffenberg, Jan/0000-0002-1185-9094; Koskinen, David/0000-0002-0514-5917 FU U.S. National Science Foundation; U.S. National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation; U.S. Department of Energy; National Energy Research Scientific Computing Center; Louisiana Optical Network Initiative (LONI); Swedish Research Council; Swedish Polar Research Secretariat; Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF); Deutsche Forschungsgemeinschaft (DFG); Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO); Flanders Institute to encourage scientific and technological research in industry (IWT); Belgian Federal Science Policy Office (Belspo); Marsden Fund, New Zealand; Japan Society for the Promotion of Science (JSPS); SNF (Switzerland); EU; Capes Foundation; Ministry of Education of Brazil FX We acknowledge support from the following agencies: U.S. National Science Foundation-Office of Polar Program, U.S. National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation, U.S. Department of Energy, and National Energy Research Scientific Computing Center, the Louisiana Optical Network Initiative (LONI) grid computing resources; Swedish Research Council, Swedish Polar Research Secretariat, and Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG), Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO), FWO Odysseus programme, Flanders Institute to encourage scientific and technological research in industry (IWT), Belgian Federal Science Policy Office (Belspo); Marsden Fund, New Zealand; Japan Society for the Promotion of Science (JSPS); M. Ribordy acknowledges the support of the SNF (Switzerland); A. Kappes and A. Gross acknowledge support by the EU Marie Curie OIF Program; J.P. Rodrigues acknowledge support by the Capes Foundation, Ministry of Education of Brazil. NR 38 TC 103 Z9 103 U1 2 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 139 EP 152 DI 10.1016/j.nima.2010.03.102 PG 14 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000015 ER PT J AU Pereira, J Hosmer, P Lorusso, G Santi, P Couture, A Daly, J Del Santo, M Elliot, T Gorres, J Herlitzius, C Kratz, KL Lamm, LO Lee, HY Montes, F Ouellette, M Pellegrini, E Reeder, P Schatz, H Schertz, F Schnorrenberger, L Smith, K Stech, E Strandberg, E Ugalde, C Wiescher, M Wohr, A AF Pereira, J. Hosmer, P. Lorusso, G. Santi, P. Couture, A. Daly, J. Del Santo, M. Elliot, T. Goerres, J. Herlitzius, C. Kratz, K. -L. Lamm, L. O. Lee, H. Y. Montes, F. Ouellette, M. Pellegrini, E. Reeder, P. Schatz, H. Schertz, F. Schnorrenberger, L. Smith, K. Stech, E. Strandberg, E. Ugalde, C. Wiescher, M. Woehr, A. TI The neutron long counter NERO for studies of beta-delayed neutron emission in the r-process SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Large neutron counter; beta-delayed neutron emission; Astrophysical r-process; Neutron detection efficiency; Neutron background ID HALF-LIVES; PROBABILITIES; DECAY; RAY; C-13(ALPHA,N); PRECURSORS; ISOTOPES; SYSTEM; STARS AB The neutron long counter NERO was built at the National Superconducting Cyclotron Laboratory (NSCL), Michigan State University, for measuring beta-delayed neutron-emission probabilities. The detector was designed to work in conjunction with a beta-delay implantation station, so that beta decays and beta-delayed neutrons emitted from implanted nuclei can be measured simultaneously. The high efficiency of about 40%, for the range of energies of interest, along with the small background, are crucial for measuring beta-delayed neutron emission branchings for neutron-rich r-process nuclei produced as low intensity fragmentation beams in in-flight separator facilities. Published by Elsevier B.V. C1 [Pereira, J.; Hosmer, P.; Lorusso, G.; Santi, P.; Del Santo, M.; Elliot, T.; Montes, F.; Ouellette, M.; Pellegrini, E.; Schatz, H.; Schnorrenberger, L.; Smith, K.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Pereira, J.; Hosmer, P.; Lorusso, G.; Santi, P.; Del Santo, M.; Elliot, T.; Herlitzius, C.; Montes, F.; Ouellette, M.; Pellegrini, E.; Schatz, H.; Schnorrenberger, L.; Smith, K.] Michigan State Univ, Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. [Hosmer, P.; Lorusso, G.; Elliot, T.; Ouellette, M.; Pellegrini, E.; Schatz, H.; Smith, K.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Couture, A.; Daly, J.; Goerres, J.; Lamm, L. O.; Lee, H. Y.; Stech, E.; Strandberg, E.; Ugalde, C.; Wiescher, M.; Woehr, A.] Univ Notre Dame, Inst Struct & Nucl Astrophys, South Bend, IN USA. [Couture, A.; Daly, J.; Goerres, J.; Lamm, L. O.; Lee, H. Y.; Stech, E.; Strandberg, E.; Ugalde, C.; Wiescher, M.; Woehr, A.] Univ Notre Dame, Dept Phys & Astron, South Bend, IN USA. [Couture, A.; Daly, J.; Goerres, J.; Lamm, L. O.; Lee, H. Y.; Stech, E.; Strandberg, E.; Ugalde, C.; Wiescher, M.; Woehr, A.] Univ Notre Dame, Joint Inst Nucl Astrophys, South Bend, IN USA. [Herlitzius, C.; Schertz, F.] Johannes Gutenberg Univ Mainz, Inst Kernchem, D-55128 Mainz, Germany. [Kratz, K. -L.] Johannes Gutenberg Univ Mainz, Max Planck Inst Chem, D-55128 Mainz, Germany. [Kratz, K. -L.; Schertz, F.] Virtuelles Inst Struktur Kerne & Nukl Astrop, Mainz, Germany. [Reeder, P.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Schnorrenberger, L.] Tech Univ Darmstadt, Inst Kernphys, Darmstadt, Germany. RP Pereira, J (reprint author), Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. EM pereira@nscl.msu.edu RI Smith, Karl/A-9864-2013 OI Smith, Karl/0000-0003-2740-5449 FU Joint Institute for Nuclear Astrophysics (JINA) under NSF [PHY-02-16783]; National Superconducting Cyclotron Laboratory (NSCL) under NSF [PHY-01-10253] FX This work was supported in part by the Joint Institute for Nuclear Astrophysics (JINA) under NSF Grant PHY-02-16783 and the National Superconducting Cyclotron Laboratory (NSCL) under NSF Grant PHY-01-10253. NR 37 TC 16 Z9 16 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2010 VL 618 IS 1-3 BP 275 EP 283 DI 10.1016/j.nima.2010.02.262 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 615KK UT WOS:000279134000031 ER PT J AU Ryan, CG Kirkham, R Siddons, DP Dunn, PA Laird, JS Kuczewski, A Moorhead, G De Geronimo, G Davey, P Jensen, M Paterson, DJ de Jonge, MD Howard, DL Hough, RM AF Ryan, C. G. Kirkham, R. Siddons, D. P. Dunn, P. A. Laird, J. S. Kuczewski, A. Moorhead, G. De Geronimo, G. Davey, P. Jensen, M. Paterson, D. J. de Jonge, M. D. Howard, D. L. Hough, R. M. TI The Maia 384 detector array in a nuclear microprobe: A platform for high definition PIXE elemental imaging SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 19th International Conference on Ion Beam Analysis CY SEP 07-11, 2009 CL Univ Cambridge, Cambridge, ENGLAND HO Univ Cambridge DE SXRF; PIXE; Dynamic analysis; X-ray microprobe; Nuclear microprobe; Silicon detector; Trace element imaging; Real-time processing ID PROTON MICROPROBE; EXAFS EXPERIMENTS; MICROANALYSIS; SYNCHROTRON; SYSTEM; GOLD; SXRF AB Application of nuclear microprobe event-by-event data acquisition approaches to synchrotron elemental imaging is at the heart of the design of a large energy-dispersive detector array called Maia, under development by CSIRO and BNL for SXRF elemental imaging on the X-ray microprobe. A new project is aimed at harnessing this development to provide high throughput PIXE imaging on the CSIRO Nuclear Microprobe. Maia combines a 1.2 sr solid-angle 384 detector array, integrated scanning and real-time processing including spectral deconvolution of full-spectral data. Results using a Maia prototype demonstrate the potential using SXRF application data with elemental images of up 100 M pixels. (C) 2010 Published by Elsevier B.V. C1 [Ryan, C. G.] CSIRO MSE, CSIRO Explorat & Min, Clayton, Vic 3168, Australia. [Siddons, D. P.; Kuczewski, A.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Kirkham, R.; Dunn, P. A.; Moorhead, G.; Davey, P.; Jensen, M.] CSIRO Mat Sci & Engn, Clayton, Vic, Australia. [De Geronimo, G.] Brookhaven Natl Lab, Instrumentat Div, Brookhaven, NY USA. [Paterson, D. J.; de Jonge, M. D.; Howard, D. L.] Australian Synchrotron, Clayton, Vic, Australia. [Ryan, C. G.; Laird, J. S.; Moorhead, G.] Univ Melbourne, Sch Phys, Parkville, Vic 3052, Australia. [Ryan, C. G.; Laird, J. S.] Univ Tasmania, CODES Ctr Excellence, Hobart, Tas, Australia. RP Ryan, CG (reprint author), CSIRO MSE, CSIRO Explorat & Min, Rivett Bld,Bayview Ave, Clayton, Vic 3168, Australia. EM chris.ryan@csiro.au RI Ryan, Chris/A-6032-2011; de Jonge, Martin/C-3400-2011; Kirkham, Robin/C-9786-2010; Laird, Jamie/A-7683-2011; Dunn, Paul/D-6721-2012; Davey, Peter/D-6746-2012; Jensen, Murray/E-8265-2012; Moorhead, Gareth/B-6634-2009 OI Ryan, Chris/0000-0003-2891-3912; Kirkham, Robin/0000-0003-1012-3496; Jensen, Murray/0000-0002-2247-4421; Moorhead, Gareth/0000-0002-9299-9549 NR 24 TC 15 Z9 15 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN PY 2010 VL 268 IS 11-12 BP 1899 EP 1902 DI 10.1016/j.nimb.2010.02.052 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 610AW UT WOS:000278702300045 ER PT J AU Qi, Y Prenzel, T Harriman, TA Wang, YQ Lucca, DA Williams, D Nastasi, M Dong, J Mehner, A AF Qi, Y. Prenzel, T. Harriman, T. A. Wang, Y. Q. Lucca, D. A. Williams, D. Nastasi, M. Dong, J. Mehner, A. TI Investigation of hydrogen concentration and hardness of ion irradiated organically modified silicate thin films SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 19th International Conference on Ion Beam Analysis CY SEP 07-11, 2009 CL Univ Cambridge, Cambridge, ENGLAND HO Univ Cambridge DE Ion irradiation; Sol-gel; Hybrid organic/inorganic; Elastic Recoil Detection; FT-IR ID SOL-GEL COATINGS; INFRARED-SPECTROSCOPY; POLYMERS; LAYERS AB A study of the effects of ion irradiation of organically modified silicate thin films on the loss of hydrogen and increase in hardness is presented. NaOH catalyzed SiNa(w)O(x)C(y)H(z) thin films were synthesized by sol-gel processing from tetraethylorthosilicate (TEOS) and methyltriethoxysilane (MTES) precursors and spin-coated onto Si substrates. After drying at 300 C, the films were irradiated with 125 keV H(+) or 250 keV N(2+) at fluences ranging from 1 x 10(14) to 2.5 x 10(16) ions/cm(2). Elastic Recoil Detection (ERD) was used to investigate resulting hydrogen concentration as a function of ion fluence and irradiating species. Nanoindentation was used to measure the hardness of the irradiated films. FT-IR spectroscopy was also used to examine resulting changes in chemical bonding. The resulting hydrogen loss and increase in hardness are compared to similarly processed acid catalyzed silicate thin films. (C) 2010 Elsevier B.V. All rights reserved. C1 [Qi, Y.; Harriman, T. A.; Lucca, D. A.] Oklahoma State Univ, Sch Mech & Aerosp Engn, Stillwater, OK 74078 USA. [Prenzel, T.; Dong, J.; Mehner, A.] Stiftung Inst Werkstofftech, D-28359 Bremen, Germany. [Wang, Y. Q.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Williams, D.; Nastasi, M.] Los Alamos Natl Lab, Div Mat Phys & Applicat, Los Alamos, NM 87545 USA. RP Lucca, DA (reprint author), 218 Engn N, Stillwater, OK 74078 USA. EM lucca@okstate.edu NR 14 TC 2 Z9 2 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN PY 2010 VL 268 IS 11-12 BP 1997 EP 2000 DI 10.1016/j.nimb.2010.02.116 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 610AW UT WOS:000278702300066 ER PT J AU Usov, IO Arendt, PN Foltyn, SR Stan, L DePaula, RF Holesinger, TG AF Usov, I. O. Arendt, P. N. Foltyn, S. R. Stan, L. DePaula, R. F. Holesinger, T. G. TI Contribution of ion beam analysis methods to the development of second generation high temperature superconducting wires SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 19th International Conference on Ion Beam Analysis CY SEP 07-11, 2009 CL Univ Cambridge, Cambridge, ENGLAND HO Univ Cambridge DE High temperature superconductivity; Ion beam analysis ID HIGH-TC SUPERCONDUCTORS; YBCO-COATED CONDUCTORS; MGO SINGLE-CRYSTALS; ASSISTED DEPOSITION; RADIATION-DAMAGE; TEXTURED MGO; THIN-FILMS; IBAD-MGO; CU-O; MICROANALYSIS AB One of the crucial steps in the second generation high temperature superconducting wire program was development of the buffer-layer architecture. The architecture designed at the Superconductivity Technology Center at Los Alamos National Laboratory consists of several oxide layers wherein each layer plays a specific role, namely: nucleation layer, diffusion barrier, biaxially textured template, and intermediate layer providing a suitable lattice match to the superconducting Y(1)Ba(2)Cu(3)O(7) (YBCO) compound. This report demonstrates how a wide range of ion beam analysis techniques (SIMS. RBS, channeling, PIXE, PIGE, NRA and ERD) was employed for analysis of each buffer layer and the YBCO film. These results assisted in understanding of a variety of physical processes occurring during the buffer layer fabrication and helped to optimize the buffer-layer architecture as a whole. (C) 2010 Elsevier B.V. All rights reserved. C1 [Usov, I. O.; Arendt, P. N.; Foltyn, S. R.; Stan, L.; DePaula, R. F.; Holesinger, T. G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Usov, IO (reprint author), Los Alamos Natl Lab, Mailstop K763, Los Alamos, NM 87544 USA. EM iusov@lanl.gov NR 32 TC 1 Z9 1 U1 5 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN PY 2010 VL 268 IS 11-12 BP 2046 EP 2050 DI 10.1016/j.nimb.2010.02.054 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 610AW UT WOS:000278702300077 ER PT J AU Jagielski, J Thome, L Zhang, Y Wang, CM Turos, A Nowicki, L Pagowska, K Jozwik, I AF Jagielski, J. Thome, L. Zhang, Y. Wang, C. M. Turos, A. Nowicki, L. Pagowska, K. Jozwik, I. TI Defect studies in ion irradiated AlGaN SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 19th International Conference on Ion Beam Analysis CY SEP 07-11, 2009 CL Univ Cambridge, Cambridge, ENGLAND HO Univ Cambridge DE Rutherford Backscattering/Channeling; Monte-Carlo simulations; Dislocations ID GAN AB Defects created in Al(0.4)Ga(0.6)N crystals by 320 keV Ar ion irradiation were studied using Rutherford Back-scattering Spectroscopy/Channeling (RBS/C) and Transmission Electron Microscopy (TEM) techniques. One of the main aims of the work was to use a revised version of McChasy, a Monte-Carlo simulation code of backscattering spectra, for the analysis of experimental results obtained for a dislocation-containing crystal. TEM was used to get a better insight into dislocation and dislocation loop geometries in order to restrict the range of parameters used in simulations. RBS/C analysis was performed in a 1.5-3 MeV energy range to check if MC simulations correctly reproduce backscattering spectra at different energies. (C) 2010 Elsevier B.V. All rights reserved. C1 [Jagielski, J.; Turos, A.; Jozwik, I.] Inst Elect Mat Technol, PL-01919 Warsaw, Poland. [Jagielski, J.; Turos, A.; Nowicki, L.; Pagowska, K.] Soltan Inst Nucl Studies, PL-05400 Otwock, Poland. [Thome, L.] Univ Paris 11, CNRS, IN2P3, Ctr Spectrometrie Nucl & Spectrometrie Masse, F-91405 Orsay, France. [Zhang, Y.; Wang, C. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jagielski, J (reprint author), Inst Elect Mat Technol, Wolczynska 133, PL-01919 Warsaw, Poland. EM jacek.jagielski@itme.edu.pl RI Nowicki, Lech/E-9509-2016 NR 9 TC 9 Z9 9 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN PY 2010 VL 268 IS 11-12 BP 2056 EP 2059 DI 10.1016/j.nimb.2010.02.055 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 610AW UT WOS:000278702300079 ER PT J AU Vizkelethy, G Phillips, SD Najafizadeh, L Cressler, JD AF Vizkelethy, G. Phillips, S. D. Najafizadeh, L. Cressler, J. D. TI Nuclear microbeam studies of silicon-germanium heterojunction bipolar transistors (HBTs) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 19th International Conference on Ion Beam Analysis CY SEP 07-11, 2009 CL Univ Cambridge, Cambridge, ENGLAND HO Univ Cambridge DE IBIC; SEE; SiGe HBT; Nuclear microprobe ID MICROSCOPY; SIGEHBTS; DEVICES; SEE AB SiGe HBTs are very attractive devices to be used in space communication applications. This technology combines the high speed of the III-V semiconductors with the well-established and easy manufacturing processes of silicon, which allows the manufacturing of RF, analog, and digital devices on the same wafer. In addition, SiGe HBTs were found to be extremely radiation hard in the context of total ionizing dose and displacement damage. However, it was shown through experiments and simulations that these devices are vulnerable to single event effects (SEEs). SEEs are changes in the normal operation of the device (its logical state, currents, transients, etc.) due to the induced currents in the electrodes by the movement of carriers created by the incident ions. We used four electrode (base, emitter, collector, and substrate) IBIC measurements at the Sandia Heavy Ion Nuclear Microprobe Facility. SiGe HBTs are usually designed using deep trench isolation (DTI) to minimize parasitic capacitances from the subcollector to the substrate (faster speed), as well as allow devices to be fabricated much closer together. It is an added bonus that the DTI does not let carriers from outside hits to diffuse into the junction and induce current. Our experiments and TCAD simulations showed that while the above goal was accomplished by this design, it increased the amount of induced charge for ion hits in the active area. Single event transients (SETs) were investigated in both standard and radiation hardened by design (RHBD) bandgap voltage reference (BGR) circuits. (C) 2010 Elsevier B.V. All rights reserved. C1 [Vizkelethy, G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Phillips, S. D.; Najafizadeh, L.; Cressler, J. D.] Georgia Inst Technol, Atlanta, GA 30332 USA. RP Vizkelethy, G (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gvizkel@sandia.gov NR 13 TC 4 Z9 4 U1 5 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN PY 2010 VL 268 IS 11-12 BP 2092 EP 2098 DI 10.1016/j.nimb.2010.02.016 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 610AW UT WOS:000278702300087 ER PT J AU Wang, YQ Zhang, J Tesmer, JR Li, YH Greco, R Grim, GP Obst, AW Rundberg, RS Wilhelmy, JB AF Wang, Y. Q. Zhang, J. Tesmer, J. R. Li, Y. H. Greco, R. Grim, G. P. Obst, A. W. Rundberg, R. S. Wilhelmy, J. B. TI Determination of C-13/C-12 ratios with (d, p) nuclear reactions SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 19th International Conference on Ion Beam Analysis CY SEP 07-11, 2009 CL Univ Cambridge, Cambridge, ENGLAND HO Univ Cambridge DE Nuclear reaction analysis; Deuterium beam; Carbon isotopes; C-13/C-12 ratios ID MICROANALYSIS AB Stable isotope ratios such as C-13/C-12 play an important role in many applications including environment and energy research. Since many surface analysis techniques are plagued with unavoidable hydrocarbon contamination issues during analysis, it is highly desirable that C-13 and C-12 isotopes be measured simultaneously especially in specimens with a minute amount of C-13, in order to reliably determine C-13/C-12 ratios. In, this paper, we report that deuterium induced proton particle reactions, C-13(d, p)C-14 and C-12(d, p)C-13, provide a convenient and reliable approach for C-13/C-12 ratio determination. Optimizations on experimental considerations and potential interferences from other common light isotopes are discussed as well as results from the application of this technique to diagnose the performance of a target debris collection in an inertial confinement fusion (ICF) experiment. (C) 2010 Elsevier B.V. All rights reserved. C1 [Wang, Y. Q.; Zhang, J.; Tesmer, J. R.; Li, Y. H.; Greco, R.] Los Alamos Natl Lab, Dept Mat Sci & Technol, Los Alamos, NM 87544 USA. [Zhang, J.; Li, Y. H.] Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China. [Grim, G. P.; Obst, A. W.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87544 USA. [Rundberg, R. S.; Wilhelmy, J. B.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. RP Wang, YQ (reprint author), Los Alamos Natl Lab, Dept Mat Sci & Technol, POB 1663, Los Alamos, NM 87544 USA. EM yqwang@lanl.gov NR 16 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN PY 2010 VL 268 IS 11-12 BP 2099 EP 2103 DI 10.1016/j.nimb.2010.02.060 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 610AW UT WOS:000278702300088 ER PT J AU Knapp, JA Browning, JF Bond, GM AF Knapp, J. A. Browning, J. F. Bond, G. M. TI Aging of ErT2 thin films: ERD analysis and mechanical property changes SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 19th International Conference on Ion Beam Analysis CY SEP 07-11, 2009 CL Univ Cambridge, Cambridge, ENGLAND HO Univ Cambridge DE ERD; Metal tritides; He analysis; Nanoindentation ID ELASTIC RECOIL DETECTION; DISLOCATIONS; NICKEL AB Rare earth tritide films evolve as tritium decays into He-3, which forms bubbles that influence long-term film stability in applications such as neutron generators. We followed the properties of model ErT2 films as they aged using ERD analysis to monitor T and He-3 profiles, nanoindentation testing for mechanical properties and transmission electron microscopy to characterize bubble growth. The profiles of T and He-3 are separately measured in ERD using a Delta E - E detector, taking advantage of the differences in energy loss within the Delta E detector. The composition measured by ERD followed the expected build-up of He-3 up to near critical release, where He-3 begins to escape from the film as bubbles overlap. These measurements complement observations of the changing mechanical properties of these films, where the observed behavior divided into two regimes: a substantial increase in layer hardness but elasticity little changed over similar to 18 months, followed by a decrease in elastic stiffness and a modest decrease in hardness over the final 24 months. The evolution of properties has been explained by a combination of dislocation pinning by the bubbles, elastic softening as the bubbles occupy an increasing fraction of the material, and details of bubble growth modes. The ERD measurements confirm that the changes in properties are due to changes in bubble morphology and not to changes in He-3 or T content. Published by Elsevier B.V. C1 [Knapp, J. A.] Sandia Natl Labs, Dept 1111, Albuquerque, NM 87185 USA. [Browning, J. F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Bond, G. M.] New Mexico Inst Min & Technol, Socorro, NM 87801 USA. RP Knapp, JA (reprint author), Sandia Natl Labs, Dept 1111, MS 1056, Albuquerque, NM 87185 USA. EM jaknapp@sandia.gov OI Browning, James/0000-0001-8379-259X NR 15 TC 8 Z9 9 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN PY 2010 VL 268 IS 11-12 BP 2141 EP 2143 DI 10.1016/j.nimb.2010.02.065 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 610AW UT WOS:000278702300098 ER PT J AU Huovinen, P Petreczky, P AF Huovinen, Pasi Petreczky, Peter TI QCD equation of state and hadron resonance gas SO NUCLEAR PHYSICS A LA English DT Article DE Laticce QCD; Equation of state; Hadron resonance gas; Hydrodynamic models ID HEAVY-ION COLLISIONS; CHEMICAL FREEZE-OUT; PHASE-TRANSITION; PARTICLE PHYSICS; CONTINUUM-LIMIT; GLUON PLASMA; LATTICE QCD; TEMPERATURE; THERMODYNAMICS; MODEL AB We compare the trace anomaly, strangeness and baryon number fluctuations calculated in lattice QCD with expectations based on hadron resonance gas model. We find that there is a significant discrepancy between the hadron resonance gas and the lattice data. This discrepancy is largely reduced if the hadron spectrum is modified to take into account the larger values of the quark mass used in lattice calculations as well as the finite lattice spacing errors. We also give a simple parametrization of QCD equation of state, which combines hadron resonance gas at low temperatures with lattice QCD at high temperatures. We compare this parametrization with other parametrizations of the equation of state used in hydrodynamical models and discuss differences in hydrodynamic flow for different equations of state. (C) 2010 Elsevier B.V. All rights reserved. C1 [Petreczky, Peter] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Petreczky, Peter] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Huovinen, Pasi] Goethe Univ Frankfurt, Inst Theoret Phys, D-60438 Frankfurt, Germany. RP Petreczky, P (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM petreczk@bnl.gov NR 75 TC 263 Z9 264 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD JUN 1 PY 2010 VL 837 IS 1-2 BP 26 EP 53 DI 10.1016/j.nuclphysa.2010.02.015 PG 28 WC Physics, Nuclear SC Physics GA 596TM UT WOS:000277708400003 ER PT J AU Andronic, A Blaschke, D Braun-Munzinger, P Cleymans, J Fukushima, K McLerran, LD Oeschler, H Pisarski, RD Redlich, K Sasaki, C Satz, H Stachel, J AF Andronic, A. Blaschke, D. Braun-Munzinger, P. Cleymans, J. Fukushima, K. McLerran, L. D. Oeschler, H. Pisarski, R. D. Redlich, K. Sasaki, C. Satz, H. Stachel, J. TI Hadron production in ultra-relativistic nuclear collisions: Quarkyonic matter and a triple point in the phase diagram of QCD SO NUCLEAR PHYSICS A LA English DT Article DE Dense quark matter; Chiral symmetry breaking; Large N-c expansion ID HEAVY-ION COLLISIONS; CHEMICAL FREEZE-OUT; FINITE-TEMPERATURE; GLUON-PLASMA; POLYAKOV LOOP; TRANSITION-TEMPERATURE; SYMMETRY-BREAKING; DENSITY; MODEL; BARYONS AB We argue that features of hadron production in relativistic nuclear collisions, mainly at CERN-SPS energies, may be explained by the existence of three forms of matter: Hadronic Matter, Quarkyonic Matter, and a Quark-Gluon Plasma. We suggest that these meet at a triple point in the QCD phase diagram. Some of the features explained, both qualitatively and semi-quantitatively, include the curve for the decoupling of chemical equilibrium, along with the non-monotonic behavior of strange particle multiplicity ratios at center of mass energies near 10 GeV. If the transition(s) between the three phases are merely crossover(s), the triple point is only approximate. (C) 2010 Elsevier B.V. All rights reserved. C1 [Andronic, A.; Braun-Munzinger, P.; Redlich, K.] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. [Blaschke, D.; Redlich, K.] Univ Wroclaw, Inst Theoret Phys, PL-50204 Wroclaw, Poland. [Blaschke, D.] JINR Dubna, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. [Braun-Munzinger, P.] GSI Darmstadt, EMMI, D-64291 Darmstadt, Germany. [Braun-Munzinger, P.; Oeschler, H.] Tech Univ Darmstadt, D-64289 Darmstadt, Germany. [Braun-Munzinger, P.; Sasaki, C.] Goethe Univ Frankfurt, Frankfurt Inst Adv Studies, D-60438 Frankfurt, Germany. [Cleymans, J.] Univ Cape Town, Dept Phys, ZA-7700 Rondebosch, South Africa. [Fukushima, K.] Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 606, Japan. [McLerran, L. D.; Pisarski, R. D.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [McLerran, L. D.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Redlich, K.; Satz, H.] Univ Bielefeld, Fak Phys, D-33501 Bielefeld, Germany. [Sasaki, C.] Tech Univ Munich, Dept Phys, D-85747 Garching, Germany. [Stachel, J.] Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. RP Andronic, A (reprint author), GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. EM a.andronic@gsi.de OI Fukushima, Kenji/0000-0003-0899-740X FU Polish Ministry of Science and Higher Education (MNiSW) [N N 202 0953 33, N N 202 2318 37]; Russian Fund for Fundamental Investigations [08-02-01003-a]; DOE [DE-AC02-98CH10886]; Alexander von Humboldt Foundation (AvH); Japanese MEXT [20740134]; DFG FX We gratefully acknowledge insightful comments from Jean-Paul Blaizot and Christof Wetterich. The research of D. Blaschke is supported by the Polish Ministry of Science and Higher Education (MNiSW) under grants No. N N 202 0953 33 and No. N N 202 2318 37, and by the Russian Fund for Fundamental Investigations under grant No. 08-02-01003-a. The research of R. Pisarski and L. McLerran is supported under DOE Contract No. DE-AC02-98CH10886. R. Pisarski and K. Redlich thank the Alexander von Humboldt Foundation (AvH) for their support; K. Redlich also thanks the Polish Ministry of Science (MNiSW) for their support. K. Fukushima is supported by Japanese MEXT grant No. 20740134. The work of C. Sasaki was supported in part by the DFG cluster of excellence "Origin and Structure of the Universe". NR 151 TC 103 Z9 107 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD JUN 1 PY 2010 VL 837 IS 1-2 BP 65 EP 86 DI 10.1016/j.nuclphysa.2010.02.005 PG 22 WC Physics, Nuclear SC Physics GA 596TM UT WOS:000277708400005 ER PT J AU Bailey, TS Morel, JE Chang, JH AF Bailey, Teresa S. Morel, Jim E. Chang, Jae H. TI Asymptotic Diffusion-Limit Accuracy of S-n Angular Differencing Schemes SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID TRANSPORT PROBLEMS AB In a previous paper, Morel and Montry used a Galerkin-based diffusion analysis to define a particular weighted diamond angular discretization for S-n calculations in curvilinear geometries. The weighting factors were chosen to ensure that the Galerkin diffusion approximation was preserved, which eliminated the discrete ordinates flux dip. It was also shown that the step and diamond angular differencing schemes, which both suffer from the flux dip, do not preserve the diffusion approximation in the Galerkin sense. In this paper we re-derive the Morel and Montry weighted diamond scheme using a formal asymptotic diffusion-limit analysis. The asymptotic analysis yields more information than the Galerkin analysis and demonstrates that the step and diamond schemes do in fact formally preserve the diffusion limit to leading order, while the Morel and Montry weighted diamond scheme preserves it to first order, which is required for full consistency in this limit. Nonetheless, the fact that the step and diamond differencing schemes preserve the diffusion limit to leading order suggests that the flux dip should disappear as the diffusion limit is approached for these schemes. Computational results are presented that confirm this conjecture. We further conjecture that preserving the Galerkin diffusion approximation is equivalent to preserving the asymptotic diffusion limit to first order. C1 [Bailey, Teresa S.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Morel, Jim E.] Texas A&M Univ, Dept Nucl Engn, Zachry Engn Ctr 129, College Stn, TX 77843 USA. [Chang, Jae H.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Bailey, TS (reprint author), Lawrence Livermore Natl Lab, POB 808,L-095, Livermore, CA 94551 USA. EM bailey42@llnl.gov FU U.S. Department of Energy, Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Lawrence Livermore National Laboratory 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 5 TC 0 Z9 1 U1 0 U2 0 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD JUN PY 2010 VL 165 IS 2 BP 149 EP 169 PG 21 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 602LA UT WOS:000278139500002 ER PT J AU Franke, BC Kensek, RP AF Franke, Brian C. Kensek, Ronald P. TI Adaptive Three-Dimensional Monte Carlo Functional-Expansion Tallies SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID TRANSPORT AB We describe a method that enables Monte Carlo calculations to automatically achieve a user-prescribed error of representation for numerical results. Our approach is to iteratively adapt Monte Carlo functional-expansion tallies (FETs). The adaptivity is based on assessing the cellwise 2-norm of error due to both functional-expansion truncation and statistical uncertainty. These error metrics have been detailed by others for one-dimensional distributions. We extend their previous work to three-dimensional distributions and demonstrate the use of these error metrics for adaptivity. The method examines Monte Carlo FET results, estimates truncation and uncertainty error, and suggests a minimum-required expansion order and run time to achieve the desired level of error. Iteration is required for results to converge to the desired error. Our implementation of adaptive FETs is observed to converge to reasonable levels of desired error for the representation of four distributions. In practice, some distributions and desired error levels may require prohibitively large expansion orders and/or Monte Carlo run times. C1 [Franke, Brian C.; Kensek, Ronald P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Franke, BC (reprint author), Sandia Natl Labs, POB 5800,MS 1179, Albuquerque, NM 87185 USA. EM bcfrank@sandia.gov FU Sandia's Laboratory FX 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. This work was supported by Sandia's Laboratory Directed Research and Development program. NR 10 TC 0 Z9 0 U1 1 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD JUN PY 2010 VL 165 IS 2 BP 170 EP 179 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 602LA UT WOS:000278139500003 ER PT J AU Tovesson, F Hill, TS AF Tovesson, F. Hill, T. S. TI Cross Sections for Pu-239(n,f) and Pu-241(n,f) in the Range E-n=0.01 eV to 200 MeV SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID NEUTRON; U-235; SYSTEMS; SCIENCE AB The (PU)-P-239 and Pu-241 neutron-induced fission cross sections have been measured from subthermal energies to 200 MeV. These measurements are part of a campaign to measure fission cross sections with high precision in support of advanced fast reactor technology. Plutonium-241 is the most active target measured in this program to date, with a half-life of 14.4 yr. The results for Pu-239 are in good agreement with previous experiments and add new information to the limited knowledge on the fission cross section above 30 MeV. Discrepancies of up to 30% between the evaluations and the experimental data for Pu-241 are found in the fast region, which is of particular importance for fast spectrum reactor technology, and a reevaluation of the fission cross section for this isotope is recommended. C1 [Tovesson, F.; Hill, T. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tovesson, F (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM tovesson@lanl.gov FU DOE [DE-AC52-06NA25396] FX This work has benefited from the use of LANSCE at the Los Alamos National Laboratory. This facility is funded by DOE and operated by Los Alamos National Security, LLC, under contract DE-AC52-06NA25396. NR 20 TC 16 Z9 16 U1 1 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD JUN PY 2010 VL 165 IS 2 BP 224 EP 231 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 602LA UT WOS:000278139500007 ER PT J AU Mitchell, J Counce, RM Watson, JS Spencer, BB Del Culb, GD AF Mitchell, Jessica Counce, Robert M. Watson, Jack S. Spencer, B. B. Del Culb, G. D. TI PLACING ACETIC ACID REMOVAL INTO THE UREX plus PROCESS SO NUCLEAR TECHNOLOGY LA English DT Article DE acetic acid removal; UREX plus process; solvent extraction ID NITRIC-ACID; ACETOHYDROXAMIC ACID; BUTYL PHOSPHATE; SOLVENT; SEPARATION; EXTRACTION; STRONTIUM; CESIUM AB Recycle of nitric acid in the UREX+ process requires removal of acetic acid. An analysis of the effects of acetic acid in each process step indicates no step will be significantly affected by the concentrations expected. Thus, acetic acid removal can be placed after the last salts are removed, just before the nitric acid is recycled. Two promising removal options have been considered, solvent extraction and distillation. Distillation requires removal of most of the water before large fractions of acetic acid are removed. The process would be energy intensive and would involve the handling of extremely concentrated nitric acid; therefore, solvent extraction appears to be more attractive. C1 [Mitchell, Jessica; Counce, Robert M.; Watson, Jack S.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Spencer, B. B.; Del Culb, G. D.] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Mitchell, J (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. EM jmitchell@processengr.com FU U.S. Department of Energy [DE-PS07-051D14713] FX This work was supported by the U.S. Department of Energy Nuclear Energy Research Initiative program under contract DE-PS07-051D14713 with Oak Ridge National Laboratory. NR 16 TC 0 Z9 0 U1 1 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 J9 NUCL TECHNOL JI Nucl. Technol. PD JUN PY 2010 VL 170 IS 3 BP 422 EP 429 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 599QE UT WOS:000277927400005 ER PT J AU Thresher, R Musial, W AF Thresher, Robert Musial, Walter TI OCEAN RENEWABLE ENERGY'S POTENTIAL ROLE IN SUPPLYING FUTURE ELECTRICAL ENERGY NEEDS SO OCEANOGRAPHY LA English DT Article C1 [Thresher, Robert; Musial, Walter] US DOE, NREL, Golden, CO USA. RP Thresher, R (reprint author), US DOE, NREL, Golden, CO USA. EM robert.thresher@nrel.gov NR 11 TC 7 Z9 7 U1 0 U2 2 PU OCEANOGRAPHY SOC PI ROCKVILLE PA P.O. BOX 1931, ROCKVILLE, MD USA SN 1042-8275 J9 OCEANOGRAPHY JI Oceanography PD JUN PY 2010 VL 23 IS 2 SI SI BP 16 EP 21 PG 6 WC Oceanography SC Oceanography GA 598YT UT WOS:000277876800008 ER PT J AU Bedard, R Jacobson, PT Previsic, M Musial, W Varley, R AF Bedard, Roger Jacobson, Paul T. Previsic, Mirk Musial, Walter Varley, Robert TI An Overview of Ocean Renewable Energy Technologies SO OCEANOGRAPHY LA English DT Article AB Ocean energy is a term used to describe renewable energy derived from the sea, including ocean wave energy, tidal and open-ocean current energy (sometimes called marine hydrokinetic energy), tidal barrages, offshore wind energy, and ocean thermal and salinity gradient energy. Shallow water offshore wind is a commercial technology (over 1,500 MW capacity installed in Europe). The technologies to convert the other ocean energy resources to electricity, including deepwater offshore wind technology, albeit in their infancies, exist. These technologies are ready for full-scale prototype and early commercialization testing at sea. This paper highlights the technology development status of various energy conversion technologies. C1 [Jacobson, Paul T.] Elect Power Res Inst, Palo Alto, CA USA. [Previsic, Mirk] Re Vis Consulting LLC, Sacramento, CA USA. [Musial, Walter] US DOE, Natl Wind Technol Ctr, Natl Renewable Energy Lab, Boulder, CO USA. [Varley, Robert] Lockheed Martin Co, Manassas, VA USA. EM rogerbedard@wbhsi.net NR 1 TC 18 Z9 18 U1 2 U2 24 PU OCEANOGRAPHY SOC PI ROCKVILLE PA P.O. BOX 1931, ROCKVILLE, MD USA SN 1042-8275 J9 OCEANOGRAPHY JI Oceanography PD JUN PY 2010 VL 23 IS 2 SI SI BP 22 EP 31 PG 10 WC Oceanography SC Oceanography GA 598YT UT WOS:000277876800009 ER PT J AU Chen, HT O'Hara, JF Taylor, AJ AF Chen, H. -T. O'Hara, J. F. Taylor, A. J. TI Active terahertz metamaterials SO OPTICS AND SPECTROSCOPY LA English DT Article; Proceedings Paper CT 2nd International Symposium Topical Problems of Biophotonics CY JUL 19-24, 2009 CL Nizhni Novgorod, RUSSIA ID INDEX METAMATERIALS; PHASE MODULATOR; DEVICES AB In this paper we present an overview of research in our group in terahertz (THz) metamaterials and their applications. We have developed a series of planar metamaterials operating at THz frequencies, all of which exhibit a strong resonant response. By incorporating natural materials, e.g., semiconductors, as the substrates or as critical regions of metamaterial elements, we are able to effectively control the metamaterial resonance by the application of external stimuli, e.g., photoexcitation and electrical bias. Such actively controllable metamaterials provide novel functionalities for solid-state device applications with unprecedented performance, such as THz spectroscopy, imaging, and many others. C1 [Chen, H. -T.; O'Hara, J. F.; Taylor, A. J.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. RP Chen, HT (reprint author), Los Alamos Natl Lab, MPA CINT, MS K771, Los Alamos, NM 87545 USA. EM chenht@lanl.gov RI Chen, Hou-Tong/C-6860-2009 OI Chen, Hou-Tong/0000-0003-2014-7571 FU Los Alamos National Laboratory LDRD Program; US Department of Energy [DE-AC52-06NA25396] FX We acknowledge support from the Los Alamos National Laboratory LDRD Program. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences Nanoscale Science Research Center operated jointly by Los Alamos and Sandia National Laboratories. Los Alamos National Laboratory, an affirmative action/equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract DE-AC52-06NA25396. NR 29 TC 3 Z9 3 U1 2 U2 15 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0030-400X EI 1562-6911 J9 OPT SPECTROSC+ JI Opt. Spectrosc. PD JUN PY 2010 VL 108 IS 6 BP 834 EP 840 DI 10.1134/S0030400X10060020 PG 7 WC Optics; Spectroscopy SC Optics; Spectroscopy GA 617YC UT WOS:000279316800002 ER PT J AU Habara, H Xu, G Jitsuno, T Kodama, R Suzuki, K Sawai, K Kondo, K Miyanaga, N Tanaka, KA Mima, K Rushford, MC Britten, JA Barty, CPJ AF Habara, Hideaki Xu, Guang Jitsuno, Takahisa Kodama, Ryosuke Suzuki, Kenji Sawai, Kiyonobu Kondo, Kiminori Miyanaga, Noriaki Tanaka, Kazuo A. Mima, Kunioki Rushford, Michael C. Britten, Jerald A. Barty, Christopher P. J. TI Pulse compression and beam focusing with segmented diffraction gratings in a high-power chirped-pulse amplification glass laser system SO OPTICS LETTERS LA English DT Article ID AMPLIFIED LASERS; MOSAIC GRATINGS; INTERFEROMETER AB Segmented (tiled) grating arrays are being intensively investigated for petawatt-scale pulse compression due to the expense and technical challenges of fabricating monolithic diffraction gratings with apertures of over 1 m. However, the considerable freedom of motion among grating segments complicates compression and laser focusing. We constructed a real compressor system using a segmented grating for an 18 cm aperture laser beam of the Gekko MII 100 TW laser system at Osaka University. To produce clean pulse shapes and single focal spots tolerant of misalignment and groove density difference of grating tiles, we applied a new compressor scheme with image rotation in which each beam segment samples each grating segment but from opposite sides. In high-energy shots of up to 50 J, we demonstrated nearly Fourier-transform-limited pulse compression (0.5 ps) with an almost diffraction-limited spot size (20 mu m). (C) 2010 Optical Society of America C1 [Habara, Hideaki; Xu, Guang; Jitsuno, Takahisa; Kodama, Ryosuke; Suzuki, Kenji; Sawai, Kiyonobu; Kondo, Kiminori; Miyanaga, Noriaki; Tanaka, Kazuo A.; Mima, Kunioki] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. [Habara, Hideaki; Kodama, Ryosuke; Tanaka, Kazuo A.] Osaka Univ, Grad Sch Engn, Suita, Osaka 5650871, Japan. [Rushford, Michael C.; Britten, Jerald A.; Barty, Christopher P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Habara, H (reprint author), Osaka Univ, Inst Laser Engn, 2-6 Yamada Oka, Suita, Osaka 5650871, Japan. EM habara@ile.osaka-u.ac.jp RI Miyanaga, Noriaki/F-1340-2015; Jitsuno, Takahisa/M-6056-2015; Mima, Kunioki/H-9014-2016; Kodama, Ryosuke/G-2627-2016 OI Miyanaga, Noriaki/0000-0002-9902-5392; FU Japan Society for the Promotion of Science (JSPS); Institute of Laser Engineering (ILE) FX We gratefully acknowledge the Japan Society for the Promotion of Science (JSPS) for their financial support of this system through the Creative Scientific Research program. We also thank the FIREX project team of the Institute of Laser Engineering (ILE) for their financial and technical support for the segment grating. NR 12 TC 19 Z9 23 U1 4 U2 21 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD JUN 1 PY 2010 VL 35 IS 11 BP 1783 EP 1785 PG 3 WC Optics SC Optics GA 603TG UT WOS:000278230400019 PM 20517415 ER PT J AU Nam, SH Ulin-Avila, E Bartal, G Zhang, X AF Nam, Sung Hyun Ulin-Avila, Erick Bartal, Guy Zhang, Xiang TI Deep subwavelength surface modes in metal-dielectric metamaterials SO OPTICS LETTERS LA English DT Article ID WAVE-GUIDE ARRAYS; PHOTONIC CRYSTALS; SOLITONS AB We present what we believe to be the first study of deep subwavelength surface modes in binary metal-dielectric metamaterials. By employing anomalous coupling in binary periodicity, peculiar properties of band structure and eigenmode symmetry are obtained. We show that strongly confined plasmonic Tamm-like and Shockley-like surface modes can be formed at the termination of the array. We clarify the character of each surface mode and analyze its unique symmetry with the corresponding band structure. (C) 2010 Optical Society of America C1 [Nam, Sung Hyun; Ulin-Avila, Erick; Bartal, Guy; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Zhang, Xiang/F-6905-2011; ulin-avila, erick/M-3278-2014 FU U.S. Army Research Office (ARO) [50432 PH-MUR]; NSF Nano-scale Science and Engineering Center (NSEC) [CMMI-0751621] FX This work has been supported by U.S. Army Research Office (ARO) MURI program 50432 PH-MUR, and by the NSF Nano-scale Science and Engineering Center (NSEC) under grant CMMI-0751621. NR 17 TC 15 Z9 16 U1 1 U2 12 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD JUN 1 PY 2010 VL 35 IS 11 BP 1847 EP 1849 PG 3 WC Optics SC Optics GA 603TG UT WOS:000278230400041 ER PT J AU Abhishek, K Leyffer, S Linderoth, JT AF Abhishek, Kumar Leyffer, Sven Linderoth, Jeffrey T. TI Modeling without categorical variables: a mixed-integer nonlinear program for the optimization of thermal insulation systems SO OPTIMIZATION AND ENGINEERING LA English DT Article DE Mixed integer nonlinear programming; Modeling with binary variables; Thermal insulation systems; Categorical variables ID SEARCH ALGORITHM; BRANCH AB Optimal design applications are often modeled by using categorical variables to express discrete design decisions, such as material types. A disadvantage of using categorical variables is the lack of continuous relaxations, which precludes the use of modern integer programming techniques. We show how to express categorical variables with standard integer modeling techniques, and we illustrate this approach on a load-bearing thermal insulation system. The system consists of a number of insulators of different materials and intercepts that minimize the heat flow from a hot surface to a cold surface. Our new model allows us to employ black-box modeling languages and solvers and illustrates the interplay between integer and nonlinear modeling techniques. We present numerical experience that illustrates the advantage of the standard integer model. C1 [Leyffer, Sven] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Abhishek, Kumar] United Airlines, Enterprise Optimizat, Elk Grove Village, IL 60007 USA. [Linderoth, Jeffrey T.] Univ Wisconsin, Dept Ind & Syst Engn, Madison, WI 53706 USA. RP Leyffer, S (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kumar.abhishek@united.com; leyffer@mcs.anl.gov; linderoth@wisc.edu RI Linderoth, Jeffrey/B-4995-2013 OI Linderoth, Jeffrey/0000-0003-4442-3059 FU Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Energy [DE-FG02-05ER25694] FX Much of this work was carried out while the first author was visiting Argonne through a student visitor program, made possible through the support by the Mathematical, Information, and Computational Sciences Division subprogram of the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357. This work was also supported by the U.S. Department of Energy through the grant DE-FG02-05ER25694. The comments of two referees greatly improved the presentation. We are particularly grateful to Charles Audet who suggested a more concise proof of Theorem 3.1. NR 18 TC 7 Z9 7 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1389-4420 J9 OPTIM ENG JI Optim. Eng. PD JUN PY 2010 VL 11 IS 2 BP 185 EP 212 DI 10.1007/s11081-010-9109-z PG 28 WC Engineering, Multidisciplinary; Operations Research & Management Science; Mathematics, Interdisciplinary Applications SC Engineering; Operations Research & Management Science; Mathematics GA 597VN UT WOS:000277790400001 ER PT J AU Sabau, AS Wright, IG AF Sabau, Adrian S. Wright, Ian G. TI Influence of Oxide Growth and Metal Creep on Strain Development in the Steam-Side Oxide in Boiler Tubes SO OXIDATION OF METALS LA English DT Article DE Oxide growth-induced stresses; Creep; Growth-induced strain; Modelling; Boiler tube ID HIGH-TEMPERATURE; OXIDATION; STRESSES; BEHAVIOR; EVOLUTION; MODEL; REHEATER; ALLOYS; SCALES; PLANT AB This effort is concerned with developing a quantitative description of the exfoliation behavior of oxide scales grown inside steam tubes in a pressure boiler. Consideration of the development of stress/strain in growing oxides has included expansion mismatch-induced strains during thermal cycling as well as inelastic mechanical effects from oxide/alloy creep phenomena and volume change from oxide growth. The magnitude of the parameters used has been closely matched to actual boiler operating practice. The creep model used was validated against published data. Representation of oxide growth-induced strain was found to be a difficult challenge because the processes involved are not fully understood. In addition to the traditional uniaxial (radial) and dilatational models, 'lateral' growth models are discussed in the context of experimentally-derived criteria, such as the level of elastic strains involved in oxide exfoliation. It was found that strain variation in the oxide cannot be neglected. C1 [Sabau, Adrian S.; Wright, Ian G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Sabau, AS (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM sabaua@ornl.gov RI Sabau, Adrian/B-9571-2008 OI Sabau, Adrian/0000-0003-3088-6474 NR 40 TC 12 Z9 13 U1 1 U2 9 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0030-770X EI 1573-4889 J9 OXID MET JI Oxid. Met. PD JUN PY 2010 VL 73 IS 5-6 BP 467 EP 492 DI 10.1007/s11085-009-9188-4 PG 26 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 589KR UT WOS:000277146800001 ER PT J AU Jiang, C Stanek, CR Marks, NA Sickafus, KE Uberuaga, BP AF Jiang, Chao Stanek, Christopher R. Marks, Nigel A. Sickafus, Kurt E. Uberuaga, Blas P. TI Radioparagenesis: The formation of novel compounds and crystalline structures via radioactive decay SO PHILOSOPHICAL MAGAZINE LETTERS LA English DT Article DE transmutation; crystal structure; density-functional theory; radiation effects; computer modeling; phase transformations; phase stability ID TRANSFORMATION; BEHAVIOR AB When a crystalline material is made with radioactive isotopes, the structure of that material will change as the radioisotope decays. Using density functional theory, we explore the potential structures formed from this decay, a process we term radioparagenesis. Using three systems as examples - CsCl, SrO, and Lu(2)O(3) we describe how in each case a here-to-fore unobserved crystalline phase of BaCl, ZrO, and Hf(2)O(3) can be formed, resulting in novel crystalline materials. We examine how the formation of these phases depends on the parent structure and the pathways available to the system upon the decay of the radioisotope. We discuss the implications of this phenomenon for the formation of new materials. C1 [Jiang, Chao; Stanek, Christopher R.; Sickafus, Kurt E.; Uberuaga, Blas P.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Marks, Nigel A.] Curtin Univ Technol, Nanochem Res Inst, Perth, WA 6845, Australia. RP Uberuaga, BP (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. EM blas@lanl.gov RI Jiang, Chao/A-2546-2011; Marks, Nigel/F-6084-2010 OI Marks, Nigel/0000-0003-2372-1284 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering; U.S. Department of Energy [DE-AC52-06NA25396] FX The authors thank J. Gale and A.F. Voter for helpful discussions. Work at LANL was sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering. Los Alamos National Laboratory, an affirmative action/equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 15 TC 17 Z9 17 U1 2 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0950-0839 J9 PHIL MAG LETT JI Philos. Mag. Lett. PD JUN PY 2010 VL 90 IS 6 BP 435 EP 446 DI 10.1080/09500831003745266 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 596EJ UT WOS:000277667200006 ER PT J AU Brandenburg, J Muller, J Wirth, S Schlueter, JA Schweitzer, D AF Brandenburg, Jens Muller, Jens Wirth, Steffen Schlueter, John A. Schweitzer, Dieter TI Strongly enhanced 1/f-noise level in kappa-(BEDT-TTF)(2)X salts SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Symposium on Crystalline Organic Metals Superconductors and Ferromagnets (ISCOM 2009)/64th Yamada Conference CY SEP 12-17, 2009 CL Niseko, JAPAN DE Organic conductors; Fluctuation spectroscopy; 1/f noise ID 1/F NOISE; SUPERCONDUCTORS; TRANSITION AB Fluctuation spectroscopy has been used as an investigative tool to understand the scattering mechanisms of carriers and their low-frequency dynamics in quasi-two-dimensional organic conductors kappa-(BEDT-TTF)(2)X. We report on the very high noise level in these systems as determined from Hooge's empirical law to quantify 1/f-type noise in solids The value of the Hooge parameter gamma(H) i e the normalized noise level of 10(5)-10(7) is several orders of magnitude higher than values of gamma(H) similar to 10(-2)-10(-3) typically found in homogeneous metals and semiconductors (C) 2009 Elsevier B V All rights reserved C1 [Brandenburg, Jens; Wirth, Steffen] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. [Muller, Jens] Goethe Univ Frankfurt, Inst Phys, D-60438 Frankfurt, Germany. [Schlueter, John A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Schweitzer, Dieter] Univ Stuttgart 3, Inst Phys, D-70550 Stuttgart, Germany. RP Brandenburg, J (reprint author), Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. NR 17 TC 1 Z9 1 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 EI 1873-2135 J9 PHYSICA B JI Physica B PD JUN 1 PY 2010 VL 405 IS 11 SU S BP S141 EP S143 DI 10.1016/j.physb.2009.11.099 PG 3 WC Physics, Condensed Matter SC Physics GA 675EG UT WOS:000283808400040 ER PT J AU Lang, M Manna, RS de Souza, M Bruhl, A Schlueter, JA AF Lang, M. Manna, R. S. de Souza, M. Bruhl, A. Schlueter, J. A. TI Phase transition and lattice distortion in the proposed spin-liquid system kappa-(BEDT-TTF)(2)Cu-2(CN)(3) SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Symposium on Crystalline Organic Metals Superconductors and Ferromagnets (ISCOM 2009)/64th Yamada Conference CY SEP 12-17, 2009 CL Niseko, JAPAN DE Spin-liquid; Thermodynamic properties; Lattice effects ID TRIANGULAR-LATTICE; STATE AB We report measurements of the uniaxial coefficients of thermal expansion alpha(1) and the specific heat C on the spin-liquid candidate kappa-(BEDT - TTF)(2)Cu-2(CN)(3) We observe anomalous and strongly anisotropic in-plane expansivities implying (i) distinct T-induced b-c lattice distortions and (ii) an increase in the ratio of the hopping amplitudes t'/t upon cooling into the low-temperature regime Most importantly the alpha(t) data reveal clear evidence for a second-order phase transition around 6 K accompanied by distinct lattice effects By using a Gruneisen-scaling Ansatz we are able to extract the corresponding anomaly to the specific heat Estimates of the entropy indicate that spin degrees of freedom alone cannot account for the phase transition anomaly suggesting that charge degrees of freedom are involved (C) 2009 Elsevier B V All rights reserved C1 [Lang, M.; Manna, R. S.; de Souza, M.; Bruhl, A.] Goethe Univ Frankfurt, Inst Phys, D-60438 Frankfurt, Germany. [Schlueter, J. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Lang, M (reprint author), Goethe Univ Frankfurt, Inst Phys, SFB TR49, D-60438 Frankfurt, Germany. RI de Souza, Mariano/F-5219-2012; Manna, Rudra Sekhar/I-2035-2012; Manna, Rudra Sekhar/B-7081-2014 OI de Souza, Mariano/0000-0002-2466-3402; Manna, Rudra Sekhar/0000-0003-3285-445X; NR 28 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD JUN 1 PY 2010 VL 405 IS 11 SU S BP S182 EP S184 DI 10.1016/j.physb.2009.11.096 PG 3 WC Physics, Condensed Matter SC Physics GA 675EG UT WOS:000283808400052 ER PT J AU Muller, J Brandenburg, J Schlueter, JA Gard, GL AF Muller, Jens Brandenburg, Jens Schlueter, John A. Gard, Gary L. TI 1/f noise in the superconducting state of quasi-two-dimensional organic conductors (BEDT-TTF)(2)X-A comparative study SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Symposium on Crystalline Organic Metals Superconductors and Ferromagnets (ISCOM 2009)/64th Yamada Conference CY SEP 12-17, 2009 CL Niseko, JAPAN DE Organic superconductors; Fluctuation spectroscopy; 1/f noise AB We report on resistance noise spectroscopy measurements in the superconducting state of two quasi-two-dimensional organic superconductors The superconducting state of beta -(ET)(2)SF5CH2CF2SO3 is homogeneous whereas kappa-(ET)(2)Cu[N(CN)(2)]Cl under pressure is located in the inhomogeneous region of the phase diagram, where antiferromanetic/insulating and superconducting phases coexist For the latter material the finite noise level even well below T-c is understood in the framework of a random resistor network. Furthermore the noise provides evidence for percolation-type superconductivity For homogeneous beta -(ET)(2)SF5CH2CF2SO3 however no indications of percolation effects are found the noise in the superconducting state vanishes and the normalized noise level S-R/R-2 is generally one order of magnitude lower (C) 2009 Elsevier B V All rights reserved C1 [Muller, Jens] Goethe Univ Frankfurt, Inst Phys, D-60438 Frankfurt, Germany. [Brandenburg, Jens] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. [Schlueter, John A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Gard, Gary L.] Portland State Univ, Dept Chem, Portland, OR 97207 USA. RP Muller, J (reprint author), Goethe Univ Frankfurt, Inst Phys, D-60438 Frankfurt, Germany. NR 11 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 EI 1873-2135 J9 PHYSICA B JI Physica B PD JUN 1 PY 2010 VL 405 IS 11 SU S BP S195 EP S197 DI 10.1016/j.physb.2009.11.103 PG 3 WC Physics, Condensed Matter SC Physics GA 675EG UT WOS:000283808400056 ER PT J AU Schlueter, JA Park, H Manson, JL Nakotte, H Schultz, AJ AF Schlueter, J. A. Park, H. Manson, J. L. Nakotte, H. Schultz, A. J. TI Effect of deuteration on the structural and magnetic properties of CuF2(H2O)(2)(pyrazine) SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Symposium on Crystalline Organic Metals Superconductors and Ferromagnets (ISCOM 2009)/64th Yamada Conference CY SEP 12-17, 2009 CL Niseko, JAPAN DE Isotope effect; Magnetic coordination polymer; Hydrogen bonding; Copper(II); Pyrazine ID HYDROGEN; PYRAZINE AB The strongest magnetic exchange interactions in the quasi-two dimensional coordination polymer CuF2(H2O)(2)(pyz) (pyz=pyrazine) lie within the CuF2(H2O)(2) plane and involve F H-O hydrogen bonds In order to better understand this novel magnetic exchange pathway the fully deuterated derivative of this complex was prepared The structural and magnetic properties of this isotopically substituted derivative are reported A slight contraction of the unit cell and reduction in the Neel temperature was observed (C) 2010 Elsevier B V All rights reserved C1 [Schlueter, J. A.; Park, H.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Manson, J. L.] Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. [Nakotte, H.] Los Alamos Natl Lab, LANSCE, Los Alamos, NM 87545 USA. [Nakotte, H.] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. [Schultz, A. J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Schlueter, JA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 10 TC 5 Z9 5 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD JUN 1 PY 2010 VL 405 IS 11 SU S BP S324 EP S326 DI 10.1016/j.physb.2009.11.035 PG 3 WC Physics, Condensed Matter SC Physics GA 675EG UT WOS:000283808400093 ER PT J AU Wolter, AUB Feyerherm, R Dudzik, E Sullow, S Strack, C Lang, M Schweitzer, D Schlueter, JA AF Wolter, A. U. B. Feyerherm, R. Dudzik, E. Sullow, S. Strack, Ch Lang, M. Schweitzer, D. Schlueter, J. A. TI Searching for crystallographic superstructures in kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Symposium on Crystalline Organic Metals Superconductors and Ferromagnets (ISCOM 2009)/64th Yamada Conference CY SEP 12-17, 2009 CL Niseko, JAPAN DE Organic superconductor; X-ray diffraction ID ORGANIC SUPERCONDUCTOR; TRANSITION; TEMPERATURE AB To resolve a superstructure formation previously reported for the organic superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br we present synchrotron x-ray diffraction experiments carried out at the MAGS beamline at BESSY Helmholtz-Centre Berlin Surprisingly in our low temperature (28 K) experiments when searching k-space at (h 0 3 5) h = 7 8 and (h 0 0 5) h = 5 7 for none of these spots we could detect scattering intensity associated to a superstructure formation in contradiction to previous reports Our data suggest that details of the structural properties of kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br-such as superstructure formation-sensitively depend on sample handling e g cooling rates (in our case 4 K/min) or thermal cycling A direct relationship between superstructure formation and terminal ethylene group ordering cannot be verified disproving proposals put forth previously (C) 2010 Elsevier BV All rights reserved C1 [Wolter, A. U. B.; Sullow, S.] Tech Univ Carolo Wilhelmina Braunschweig, Inst Condensed Matter Phys, D-38106 Braunschweig, Germany. [Wolter, A. U. B.; Feyerherm, R.; Dudzik, E.] Helmholtz Ctr Berlin Mat & Energy, D-14109 Berlin, Germany. [Wolter, A. U. B.] IFW Dresden, Leibniz Inst Solid State Res, D-01069 Dresden, Germany. [Strack, Ch; Lang, M.] Goethe Univ Frankfurt, Inst Phys, D-60438 Frankfurt, Germany. [Schweitzer, D.] Univ Stuttgart, Inst Phys 3, D-70550 Stuttgart, Germany. [Schlueter, J. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Sullow, S (reprint author), Tech Univ Carolo Wilhelmina Braunschweig, Inst Condensed Matter Phys, Mandelssohnstr 3, D-38106 Braunschweig, Germany. RI Feyerherm, Ralf/F-5487-2013 OI Feyerherm, Ralf/0000-0003-3034-4210 NR 15 TC 0 Z9 0 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 EI 1873-2135 J9 PHYSICA B JI Physica B PD JUN 1 PY 2010 VL 405 IS 11 SU S BP S282 EP S283 DI 10.1016/j.physb.2010.01.115 PG 2 WC Physics, Condensed Matter SC Physics GA 675EG UT WOS:000283808400082 ER PT J AU Hicks, CW Kirtley, JR Lippman, TM Koshnick, NC Huber, ME Maeno, Y Yuhasz, WM Maple, MB Moler, KA AF Hicks, Clifford W. Kirtley, John R. Lippman, Thomas M. Koshnick, Nicholas C. Huber, Martin E. Maeno, Yoshiteru Yuhasz, William M. Maple, M. Brian Moler, Kathryn A. TI Limits on superconductivity-related magnetization in Sr2RuO4 and PrOs4Sb12 from scanning SQUID microscopy SO PHYSICAL REVIEW B LA English DT Article ID TIME-REVERSAL SYMMETRY; DEPENDENCE AB We present scanning superconducting quantum interference device microscopy data on the superconductors Sr2RuO4 (T-c=1.5 K) and PrOs4Sb12 (T-c=1.8 K). In both of these materials, superconductivity-related time-reversal symmetry-breaking fields have been observed by muon spin rotation; our aim was to visualize the structure of these fields. However, in neither Sr2RuO4 nor PrOs4Sb12 do we observe spontaneous superconductivity-related magnetization. In Sr2RuO4, many experimental results have been interpreted on the basis of a p(x)+/- ip(y) superconducting order parameter. This order parameter is expected to give spontaneous magnetic induction at sample edges and order parameter domain walls. Supposing large domains, our data restrict domain wall and edge fields to no more than similar to 0.1% and similar to 0.2% of the expected magnitude, respectively. Alternatively, if the magnetization is of the expected order, the typical domain size is limited to similar to 30 nm for random domains or similar to 500 nm for periodic domains. C1 [Hicks, Clifford W.; Lippman, Thomas M.; Moler, Kathryn A.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Hicks, Clifford W.] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland. [Kirtley, John R.; Lippman, Thomas M.; Koshnick, Nicholas C.; Moler, Kathryn A.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Huber, Martin E.] Univ Colorado, Dept Phys, Denver, CO 80217 USA. [Huber, Martin E.] Univ Colorado, Dept Elect Engn, Denver, CO 80217 USA. [Maeno, Yoshiteru] Kyoto Univ, Grad Sch Sci, Dept Phys, Kyoto 6068502, Japan. [Yuhasz, William M.] Ames Lab, Div Engn & Mat Sci, Ames, IA 50011 USA. [Maple, M. Brian] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Hicks, CW (reprint author), SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. RI Huber, Martin/B-3354-2011; Moler, Kathryn/F-2541-2011; Hicks, Clifford/N-9719-2015 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC-02-76S00515]; MEXT, Japan; NSF NSEC [PHY-0245897] FX This work was supported primarily by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (Contract No DE-AC-02-76S00515). Y.M. acknowledges funding from a Grant-in-Aid for Global COE programs from MEXT, Japan. M.B.M. acknowledges funding from the U.S. Department of Energy. J.R.K. was supported by the Center for Probing the Nanoscale (CPN), an NSF NSEC, Grant No. PHY-0245897. We express gratitude to Catherine Kallin, Daniel Agterberg, Manfred Sigrist, Graeme Luke, and Srinivas Raghu for useful discussions. NR 50 TC 58 Z9 59 U1 3 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUN 1 PY 2010 VL 81 IS 21 AR 214501 DI 10.1103/PhysRevB.81.214501 PG 8 WC Physics, Condensed Matter SC Physics GA 603IM UT WOS:000278202100003 ER PT J AU Vinko, SM Zastrau, U Mazevet, S Andreasson, J Bajt, S Burian, T Chalupsky, J Chapman, HN Cihelka, J Doria, D Doppner, T Dusterer, S Dzelzainis, T Faustlin, RR Fortmann, C Forster, E Galtier, E Glenzer, SH Gode, S Gregori, G Hajdu, J Hajkova, V Heimann, PA Irsig, R Juha, L Jurek, M Krzywinski, J Laarmann, T Lee, HJ Lee, RW Li, B Meiwes-Broer, KH Mithen, JP Nagler, B Nelson, AJ Przystawik, A Redmer, R Riley, D Rosmej, F Sobierajski, R Tavella, F Thiele, R Tiggesbaumker, J Toleikis, S Tschentscher, T Vysin, L Whitcher, TJ White, S Wark, JS AF Vinko, S. M. Zastrau, U. Mazevet, S. Andreasson, J. Bajt, S. Burian, T. Chalupsky, J. Chapman, H. N. Cihelka, J. Doria, D. Doeppner, T. Duesterer, S. Dzelzainis, T. Faeustlin, R. R. Fortmann, C. Foerster, E. Galtier, E. Glenzer, S. H. Goede, S. Gregori, G. Hajdu, J. Hajkova, V. Heimann, P. A. Irsig, R. Juha, L. Jurek, M. Krzywinski, J. Laarmann, T. Lee, H. J. Lee, R. W. Li, B. Meiwes-Broer, K. -H. Mithen, J. P. Nagler, B. Nelson, A. J. Przystawik, A. Redmer, R. Riley, D. Rosmej, F. Sobierajski, R. Tavella, F. Thiele, R. Tiggesbaeumker, J. Toleikis, S. Tschentscher, T. Vysin, L. Whitcher, T. J. White, S. Wark, J. S. TI Electronic Structure of an XUV Photogenerated Solid-Density Aluminum Plasma SO PHYSICAL REVIEW LETTERS LA English DT Article ID AUGMENTED-WAVE METHOD; RAY; SPECTRA; MATTER; AUGER; LASER; CODE AB By use of high intensity XUV radiation from the FLASH free-electron laser at DESY, we have created highly excited exotic states of matter in solid-density aluminum samples. The XUV intensity is sufficiently high to excite an inner-shell electron from a large fraction of the atoms in the focal region. We show that soft-x-ray emission spectroscopy measurements reveal the electronic temperature and density of this highly excited system immediately after the excitation pulse, with detailed calculations of the electronic structure, based on finite-temperature density functional theory, in good agreement with the experimental results. C1 [Vinko, S. M.; Gregori, G.; Li, B.; Mithen, J. P.; Whitcher, T. J.; Wark, J. S.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Zastrau, U.; Foerster, E.] Univ Jena, Inst Opt & Quantenelekt, D-07743 Jena, Germany. [Mazevet, S.] CEA, DAM, F-91297 Arpajon, France. [Andreasson, J.; Hajdu, J.] Uppsala Univ, Lab Mol Biophys, SE-75124 Uppsala, Sweden. [Bajt, S.; Duesterer, S.; Faeustlin, R. R.; Laarmann, T.; Tavella, F.; Toleikis, S.] Deutsch Elektronen Synchrotron DESY, D-22607 Hamburg, Germany. [Burian, T.; Chalupsky, J.; Cihelka, J.; Hajkova, V.; Juha, L.; Vysin, L.] Inst Phys ASCR, Prague 18221 8, Czech Republic. [Chapman, H. N.] DESY, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany. [Chapman, H. N.] Univ Hamburg, D-22761 Hamburg, Germany. [Doria, D.; Dzelzainis, T.; Riley, D.; White, S.] Queens Univ Belfast, Belfast BT7 1NN, Antrim, North Ireland. [Doeppner, T.; Fortmann, C.; Glenzer, S. H.; Lee, R. W.; Nelson, A. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Galtier, E.; Rosmej, F.] Univ Paris 06, LULI, Case 128, F-75252 Paris 05, France. [Goede, S.; Irsig, R.; Meiwes-Broer, K. -H.; Przystawik, A.; Redmer, R.; Thiele, R.; Tiggesbaeumker, J.] Univ Rostock, Inst Phys, D-18051 Rostock, Germany. [Heimann, P. A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Jurek, M.; Sobierajski, R.] Inst Phys PAS, PL-02668 Warsaw, Poland. [Krzywinski, J.; Lee, H. J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Nagler, B.] Sci & Technol Facil Council, Photon Sci Res Inst, Didcot, Oxon, England. [Sobierajski, R.] FOM, Inst Plasma Phys Rijnhuizen, NL-3430 BE Nieuwegein, Netherlands. [Tschentscher, T.] European XFEL GmbH, D-22761 Hamburg, Germany. RP Vinko, SM (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. EM sam.vinko@physics.ox.ac.uk RI Chapman, Henry/G-2153-2010; Bajt, Sasa/G-2228-2010; Sobierajski, Ryszard/E-7619-2012; Redmer, Ronald/F-3046-2013; Vinko, Sam/I-4845-2013; Vysin, Ludek/G-6885-2014; Hajkova, Vera/G-9391-2014; Chalupsky, Jaromir/H-2079-2014; Burian, Tomas/H-3236-2014; Doria, Domenico/C-9556-2016; OI Zastrau, Ulf/0000-0002-3575-4449; Chapman, Henry/0000-0002-4655-1743; Vinko, Sam/0000-0003-1016-0975; Burian, Tomas/0000-0003-3982-9978; Doria, Domenico/0000-0001-8776-5791; Thiele, Robert/0000-0001-8350-9942 FU European Community [RII3-CT-2004-506008]; German Federal Ministry for Education and Research [FSP 301-FLASH]; UK STFC; EPSRC [EP/G007187/1]; Oxford Supercomputing Centre; Czech Ministry of Education [LC510, LC528, LA08024, ME10046]; Czech Science Foundation [202/08/H057]; Czech Academy of Sciences [Z10100523, IAAX00100903, KAN300100702]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; [08-ERI-002] FX The authors would like to acknowledge useful discussions with P. Weightman. Portions of this research were carried out at FLASH at HASYLAB/DESY. DESY is a member of the Helmholtz Association. The authors want to acknowledge support for access to FLASH by DESY and the European Community under Contract No. RII3-CT-2004-506008 (IA-SFS), the German Federal Ministry for Education and Research via Project No. FSP 301-FLASH, the UK STFC and EPSRC Grant No. EP/G007187/1, the Oxford Supercomputing Centre, the Czech Ministry of Education (LC510, LC528, LA08024, and ME10046), Czech Science Foundation (202/08/H057), Czech Academy of Sciences (Z10100523, IAAX00100903, KAN300100702). This work was partially performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory, Contract No. DE-AC52-07NA27344. This work was further supported by Grant No. 08-ERI-002. NR 32 TC 41 Z9 41 U1 3 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUN 1 PY 2010 VL 104 IS 22 AR 225001 DI 10.1103/PhysRevLett.104.225001 PG 4 WC Physics, Multidisciplinary SC Physics GA 603KM UT WOS:000278207500016 PM 20867176 ER PT J AU Marsh, GE AF Marsh, Gerald E. TI Quantum mechanics and motion: A modern perspective SO PHYSICS ESSAYS LA English DT Article DE Quantum; Motion AB This essay is an attempt to address, from a modern perspective, the motion of a particle. Quantum mechanically, motion consists of a series of localizations due to repeated interactions that, taken close to the limit of the continuum, yields a world line. If a force acts on the particle, its probability distribution is accordingly modified. This must also be true for macroscopic objects, although now the description is far more complicated by the structure of matter and associated surface physics. (C) 2010 Physics Essays Publication. [DOI: 10.4006/1.3354977] C1 [Marsh, Gerald E.] Argonne Natl Lab, Chicago, IL 60615 USA. EM gemarsh@uchicago.edu NR 12 TC 0 Z9 0 U1 3 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0836-1398 J9 PHYS ESSAYS JI Phys. Essays PD JUN PY 2010 VL 23 IS 2 BP 242 EP 247 DI 10.4006/1.3354977 PG 6 WC Physics, Multidisciplinary SC Physics GA 823SD UT WOS:000295144300002 ER PT J AU Arcudi, F Delzahno, GL Finn, JM AF Arcudi, Francesco Delzahno, Gian Luca Finn, John M. TI The effect of plasma flow on line-tied magnetohydrodynamic modes SO PHYSICS OF PLASMAS LA English DT Article AB The linear stability of a linear pinch to kink modes with line-tying boundary conditions and equilibrium axial flow is studied. Numerical results in visco-resistive magnetohydrodynamics show that for long plasmas, in which the line-tying stabilization effect is weak, plasma flow is stabilizing. For shorter plasmas, near the length at which line-tying stabilizes the mode for zero flow, the flow can be destabilizing. A simple model using reduced ideal magnetohydrodynamics with a step-function current density and an even simpler one-dimensional sound wave model with equilibrium flow elucidate these effects. It is concluded that: (1) The stabilization in long plasmas is due to convective stabilization; (2) the destabilization for short plasmas can be explained using a picture involving the coupling of two stable waves, one propagating in the forward direction and one in the backward direction; and (3) strong magnetic shear suppresses the flow destabilization for short plasmas. (C) 2010 American Institute of Physics. [doi:10.1063/1.3418317] C1 [Arcudi, Francesco] Politecn Torino, Dipartimento Energet, I-10129 Turin, Italy. [Delzahno, Gian Luca; Finn, John M.] Los Alamos Natl Lab, Appl Math & Plasma Phys Grp, Los Alamos, NM 87545 USA. RP Arcudi, F (reprint author), Politecn Torino, Dipartimento Energet, I-10129 Turin, Italy. OI Delzanno, Gian Luca/0000-0002-7030-2683 FU LDRD program; NNSA of the U.S. DOE [DE-AC52-06NA25396] FX We wish to thank C. Forest, Y.-M. Huang, V. Mirnov, S. Prager, T. Intrator, and E. Zweibel for useful discussions. This research was supported by the LDRD program and performed under the auspices of the NNSA of the U.S. DOE by LANL, operated by LANS LLC under Contract No. DE-AC52-06NA25396. NR 16 TC 2 Z9 2 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2010 VL 17 IS 6 AR 062106 DI 10.1063/1.3418317 PG 14 WC Physics, Fluids & Plasmas SC Physics GA 628SY UT WOS:000280143200010 ER PT J AU Keiter, PA Elliott, JB Blue, BE Cooley, JH Edwards, J Kyrala, GA Robey, HF Spears, B Wilson, DC AF Keiter, P. A. Elliott, J. B. Blue, B. E. Cooley, J. H. Edwards, J. Kyrala, G. A. Robey, H. F. Spears, B. Wilson, D. C. TI Measurement and simulation of jet mass caused by a high-aspect ratio hole perturbation SO PHYSICS OF PLASMAS LA English DT Article ID NATIONAL-IGNITION-FACILITY; TARGETS; DESIGN; NIF AB Inertial confinement fusion (ICF) capsule performance can be negatively impacted by the presence of hydrodynamic instabilities. To perform a gas fill on an ICF capsule, current plans involve drilling a small hole and inserting a fill tube to inject the gas mixture into the capsule. This introduces a perturbation on the capsule, which can seed hydrodynamic instabilities. The small hole can cause jetting of the shell material into the gas, which might adversely affect the capsule performance. We have performed simulations and experiments to study the hydrodynamic evolution of jets from high-aspect ratio holes, such as the fill tube hole. Although simulations using cold materials overpredict the amount of mass in the jet, when a plausible amount of preheat (<1 eV) is introduced, the simulations are in better agreement with the experiment. (C) 2010 American Institute of Physics. [doi:10.1063/1.3432116] C1 [Keiter, P. A.; Cooley, J. H.; Kyrala, G. A.; Wilson, D. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Elliott, J. B.; Blue, B. E.; Edwards, J.; Robey, H. F.; Spears, B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Keiter, PA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Keiter, Paul/J-3037-2013 FU United States Department of Energy [DE-AC52-06NA25396] FX This work was performed by the Los Alamos National Laboratory under the auspices of the United States Department of Energy under Contract No. DE-AC52-06NA25396. NR 18 TC 1 Z9 1 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2010 VL 17 IS 6 AR 062704 DI 10.1063/1.3432116 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 628SY UT WOS:000280143200035 ER PT J AU Krasheninnikova, NS Tang, XZ AF Krasheninnikova, Natalia S. Tang, Xianzhu TI Equilibrium properties of the plasma sheath with a magnetic field parallel to the wall SO PHYSICS OF PLASMAS LA English DT Article ID TARGET FUSION; TRANSITION; CONFIGURATION; SIMULATIONS; SURFACE; SPACE AB Motivated by the magnetized target fusion (MTF) experiment [R. E. Siemon et al., Comments Plasma Phys. Controlled Fusion 18, 363 (1999)], a systematic investigation of the force balance and equilibrium plasma flows was carried out using analytical theory and the particle-in-cell code VPIC [K. J. Bowers et al., Phys. Plasmas 15, 055703 (2008)] for a one-dimensional plasma sheath with a magnetic field parallel to the wall. Initially uniform full Maxwellian plasma consisting of equal temperature collisionless electrons and ions is allowed to interact with a perfectly absorbing wall. The analysis of the steady-state force balance of the entire plasma as well as its individual components illuminates the roles that the hydrodynamic, magnetic, and electric forces play. In particular, when rho(thi) < lambda(D), the magnetic force balances the divergence of the pressure tensor. As the magnetic field is decreased, the electric force becomes prominent in areas where quasineutrality breaks, which can be a substantial part of the sheath. Its importance depends on the relation between three parameters, namely, electron and ion thermal Larmor radii and plasma Debye length: rho(the), rho(thi), and lambda(D). The relative importance of the electron and ion current in the magnetic or Lorentz force term can be understood through the analysis of the two-fluid force balance. It reveals that the current is carried primarily by the electrons. This is due to the direction of the electric field that helps confine the ions, but not the electrons, which are forced to carry a large current to confine themselves magnetically. In the regimes where the electric field is negligible, the ions also need the current for confinement, but in these cases the divergence of ion pressure tensor is much smaller than that of the electrons. Consequently the ion current is also smaller. The study of the electron and ion flow parallel to the wall clarifies this picture even further. In the regime of strong magnetic field, the particle average velocity parallel to the wall u(y) is purely diamagnetic. However, since the ion number density is very low near the wall, they do not produce considerable contribution to the current. In the rho(thi) < lambda(D) regime, u(y) consists of two parts: diamagnetic and (E) over right arrow x (B) over right arrow drifts. Since the direction of the former depends on the particle charge while the latter does not (at least to lowest order), the drifts for the electrons add, while for the ions they mostly cancel each other. Although the primary motivation for this research is MTF, the analytical and computational results presented in this paper can also be applicable to the plasma sheath in the conventional magnetic confinement devices, in particular, near the first wall of tokamaks. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3447880] C1 [Krasheninnikova, Natalia S.; Tang, Xianzhu] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Krasheninnikova, NS (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. FU Applied Mathematics and Plasma Theory group of Theoretical Division of Los Alamos National Laboratory [20090410ER] FX This research was supported by the LDRD-ER Project No. 20090410ER "Transport in Magnetized Dense Plasmas for Magneto-Inertial Fusion" at the Applied Mathematics and Plasma Theory group of Theoretical Division of Los Alamos National Laboratory. NR 32 TC 3 Z9 3 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2010 VL 17 IS 6 AR 063508 DI 10.1063/1.3447880 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 628SY UT WOS:000280143200057 ER PT J AU Rittershofer, W Schroeder, CB Esarey, E Gruner, FJ Leemans, WP AF Rittershofer, W. Schroeder, C. B. Esarey, E. Gruener, F. J. Leemans, W. P. TI Tapered plasma channels to phase-lock accelerating and focusing forces in laser-plasma accelerators SO PHYSICS OF PLASMAS LA English DT Article ID ELECTRON-ACCELERATORS; DESIGN CONSIDERATIONS; WAKE-FIELD; DRIVEN; PULSES AB Tapered plasma channels are considered for controlling dephasing of a beam with respect to a plasma wave driven by a weakly relativistic, short-pulse laser. Tapering allows for enhanced energy gain in a single laser-plasma accelerator stage. Expressions are derived for the taper, or longitudinal plasma density variation, required to maintain a beam at a constant phase in the longitudinal and/or transverse fields of the plasma wave. In a plasma channel, the phase velocities of the longitudinal and transverse fields differ and, hence, the required tapering differs. The length over which the tapered plasma density becomes singular is calculated. Linear plasma tapering as well as discontinuous plasma tapering, which moves beams to adjacent plasma wave buckets, is also considered. The energy gain of an accelerated electron in a tapered laser-plasma accelerator is calculated and the laser pulse length to optimize the energy gain is determined. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3430638] C1 [Rittershofer, W.; Gruener, F. J.] Univ Munich, Dept Phys, D-85748 Garching, Germany. [Schroeder, C. B.; Esarey, E.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Gruener, F. J.] Max Planck Inst Quantum Opt, D-85748 Garching, Germany. RP Rittershofer, W (reprint author), Univ Oxford, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. RI Gruner, Florian/M-1212-2016; OI Gruner, Florian/0000-0001-8382-9225; Schroeder, Carl/0000-0002-9610-0166 FU Office of Science, Office of High Energy Physics, of the U.S. Department of Energy [DE-AC02-05CH11231]; Deutsche Forschungsgemeinschaft (DFG) [TR18]; DFG FX The authors acknowledge fruitful discussions with J. Os-terhoff, S. Hooker, B. Shadwick, and C. Geddes. This work was supported by the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and by the Deutsche Forschungsgemeinschaft (DFG) through Transregio TR18 and supported by the DFG Cluster-of-Excellence "Munich-Centre for Advanced Photonics (MAP)." NR 21 TC 38 Z9 38 U1 3 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2010 VL 17 IS 6 AR 063104 DI 10.1063/1.3430638 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 628SY UT WOS:000280143200043 ER PT J AU Simakov, AN Chacon, L Zocco, A AF Simakov, Andrei N. Chacon, L. Zocco, A. TI Fundamental role of ion viscosity on fast magnetic reconnection in large-guide-field regimes SO PHYSICS OF PLASMAS LA English DT Article ID HIGH-TEMPERATURE PLASMAS AB Nonlinear analytical theory of magnetic reconnection with a large guide field is presented for the first time. We confirm that two distinct steady-state reconnection regimes are possible depending on the relative size of the diffusion region thickness delta versus the sound gyroradius rho(s). The reconnection is slow (Sweet-Parker-like) for delta greater than or similar to rho(s), and fast otherwise.. However, unlike earlier work, we find that ion viscosity mu plays a fundamental role in the fast regime. In particular, for delta< rho(s) we obtain delta proportional to Ha(-1), with Ha proportional to 1/ root eta mu as the Hartmann number, and the reconnection rate E(z) proportional to Pr(-1/2), with Pr=mu/ eta as the Prandtl number and eta as the resistivity. If the perpendicular ion viscosity is employed for mu, the reconnection rate becomes independent of plasma beta and collision frequencies, and therefore potentially fast. (C) 2010 American Institute of Physics. [doi:10.1063/1.3449589] C1 [Simakov, Andrei N.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Simakov, Andrei N.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Chacon, L.] Oak Ridge Natl Lab, Div Fus Energy, Oak Ridge, TN 37830 USA. [Zocco, A.] Culham Ctr Fus Energy, Abingdon OX14 3DB, Oxon, England. [Zocco, A.] Univ Oxford, Rudolf Peierls Ctr Theoret Phys, Oxford OX1 3NP, England. RP Simakov, AN (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM simakov@lanl.gov OI Simakov, Andrei/0000-0001-7064-9153 FU [DE-AC52-06NA25396]; [DE-AC05-00OR22725] FX We acknowledge helpful discussions with D. Grasso, D. Borgogno, and N. F. Loureiro. This work was performed at the Max-Planck-Institut fur Plasmaphysik, at the Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396, and at the Oak Ridge National Laboratory under Contract No. DE-AC05-00OR22725. NR 26 TC 9 Z9 9 U1 0 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2010 VL 17 IS 6 AR 060701 DI 10.1063/1.3449589 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 628SY UT WOS:000280143200001 ER PT J AU Goncharov, AF Struzhkin, VV Montoya, JA Kharlamova, S Kundargi, R Siebert, J Badro, J Antonangeli, D Ryerson, FJ Mao, W AF Goncharov, A. F. Struzhkin, V. V. Montoya, J. A. Kharlamova, S. Kundargi, R. Siebert, J. Badro, J. Antonangeli, D. Ryerson, F. J. Mao, W. TI Effect of composition, structure, and spin state on the thermal conductivity of the Earth's lower mantle SO PHYSICS OF THE EARTH AND PLANETARY INTERIORS LA English DT Article DE Thermal conductivity; Lower mantle; Iron bearing Earth's minerals; Electronic spin transition; High pressure; Optical properties; Diamond anvil cell ID DIAMOND-ANVIL CELL; RADIATIVE CONDUCTIVITY; OPTICAL-ABSORPTION; POST-PEROVSKITE; FERROUS IRON; TEMPERATURE; PRESSURE; DIFFUSIVITY; DEPENDENCE; LAYER AB The change in electronic structure of iron at high pressures to spin-paired states in ferropericlase, silicate perovskite, and post-perovskite may have a profound influence on the thermal conductivity of the lower mantle. Here, we present optical absorption data for lower mantle minerals to assess the effect of composition (including iron oxidation state), structure, and iron spin state on radiative heat transfer. We confirm that the presence of ferric iron in ferropericlase strongly affects the optical properties, while the effect of the spin-pairing transition may be more secondary. We also show that post-perovskite exhibits larger optical absorption in the near infrared and visible spectral ranges than perovskite which may have a profound effect on the dynamics the lowermost mantle. We present preliminary results from measurements of the phonon thermal conductivity of perovskite at 125 GPa using a pulsed laser heating technique. The available data suggest a larger value than what previously estimated, although the uncertainty is large. (C) 2010 Elsevier B.V. All rights reserved. C1 [Goncharov, A. F.; Struzhkin, V. V.; Montoya, J. A.; Kharlamova, S.; Kundargi, R.] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Siebert, J.; Badro, J.; Antonangeli, D.] Univ Paris 06, Inst Phys Globe, Inst Mineral & Phys Milieux Condenses, CNRS,UMR 7590, F-75252 Paris 05, France. [Siebert, J.; Badro, J.; Antonangeli, D.; Ryerson, F. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Mao, W.] Stanford Univ, Stanford, CA 94305 USA. [Mao, W.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. RP Goncharov, AF (reprint author), Carnegie Inst Sci, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA. EM goncharov@gl.ciw.edu RI Mao, Wendy/D-1885-2009; siebert, julien/E-6998-2010; Struzhkin, Viktor/J-9847-2013; Siebert, Julien/A-8336-2014; Badro, James/A-6003-2011 OI Struzhkin, Viktor/0000-0002-3468-0548; Siebert, Julien/0000-0001-9972-6239; FU NSF [EAR 0711358, 0738873]; Carnegie Institution of Washington; DOE/BES; DOE/NNSA (CDAC); W.M. Keck Foundation; French National Research Agency (ANR) [ANR-07-BLAN-0124-01]; DOD-TACOM; US Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-Eng-38] FX We acknowledge support from NSF EAR 0711358 and 0738873, Carnegie Institution of Washington, DOE/BES, DOE/NNSA (CDAC), and the W.M. Keck Foundation. We wish to thank C. Aracne for her help in the thinning and cutting of the ferropericlase samples. We thank P. Lazor and Z. Konopkova for introducing us to the finite-element calculations. J. B. acknowledges support by the French National Research Agency (ANR) grant no. ANR-07-BLAN-0124-01. R.K. was supported by the NSF Research Experience for Undergraduates (REU) Program at the Carnegie Institution of Washington. Use of the HPCAT facility (Carnegie Institution of Washington) was supported by DOE-BES, DOE-NNSA (CDAC), NSF, DOD-TACOM and the W.M. Keck Foundation. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. W-31-109-Eng-38. We thank Y. Meng for help with X-ray diffraction experiments in the laser heated DAC. NR 37 TC 30 Z9 33 U1 2 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0031-9201 J9 PHYS EARTH PLANET IN JI Phys. Earth Planet. Inter. PD JUN PY 2010 VL 180 IS 3-4 SI SI BP 148 EP 153 DI 10.1016/j.pepi.2010.02.002 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 616CU UT WOS:000279186600005 ER PT J AU Crease, RP AF Crease, Robert P. TI Critical Point Discovering dark matter SO PHYSICS WORLD LA English DT Editorial Material C1 [Crease, Robert P.] SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11790 USA. [Crease, Robert P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Crease, RP (reprint author), SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11790 USA. EM rcrease@notes.cc.sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8585 J9 PHYS WORLD JI Phys. World PD JUN PY 2010 VL 23 IS 6 BP 19 EP 19 PG 1 WC Physics, Multidisciplinary SC Physics GA 613FY UT WOS:000278965900015 ER PT J AU Ghimire, S Craven, K Chaluvadi, S Bennetzen, J Worley, E Yang, J Udvardi, M Keller, M AF Ghimire, S. Craven, K. Chaluvadi, S. Bennetzen, J. Worley, E. Yang, J. Udvardi, M. Keller, M. TI Enhanced quality, value, yield, carbon capture and sustainability of switchgrass biomass by the improvement of root, microbe and soil interactions SO PHYTOPATHOLOGY LA English DT Meeting Abstract CT Annual Meeting of the American-Phytopathological-Society (APS) CY AUG 07-11, 2010 CL Charlotte, NC SP Amer Phytopathol Soc C1 [Ghimire, S.; Craven, K.; Worley, E.; Yang, J.; Udvardi, M.] Samuel Roberts Noble Fdn Inc, Ardmore, OK USA. [Chaluvadi, S.; Bennetzen, J.] Univ Georgia, Athens, GA 30602 USA. [Keller, M.] BioEnergy Sci Ctr, Oak Ridge, TN USA. RI Keller, Martin/C-4416-2012; Chaluvadi, Srinivasa/C-7163-2011 NR 0 TC 0 Z9 0 U1 0 U2 11 PU AMER PHYTOPATHOLOGICAL SOC PI ST PAUL PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA SN 0031-949X J9 PHYTOPATHOLOGY JI Phytopathology PD JUN PY 2010 VL 100 IS 6 SU S BP S40 EP S40 PG 1 WC Plant Sciences SC Plant Sciences GA 822JU UT WOS:000295042000237 ER PT J AU Greenberg, JT Jung, H Tschaplinski, T AF Greenberg, J. T. Jung, H. Tschaplinski, T. TI Azelaic acid: A new player in priming plant defense SO PHYTOPATHOLOGY LA English DT Meeting Abstract CT Annual Meeting of the American-Phytopathological-Society (APS) CY AUG 07-11, 2010 CL Charlotte, NC SP Amer Phytopathol Soc C1 [Greenberg, J. T.] Univ Chicago, Chicago, IL 60637 USA. [Jung, H.] Dong A Univ, Pusan, South Korea. [Tschaplinski, T.] Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 1 U2 7 PU AMER PHYTOPATHOLOGICAL SOC PI ST PAUL PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA SN 0031-949X J9 PHYTOPATHOLOGY JI Phytopathology PD JUN PY 2010 VL 100 IS 6 SU S BP S160 EP S160 PG 1 WC Plant Sciences SC Plant Sciences GA 822JU UT WOS:000295042001072 ER PT J AU Sutherland, AM Wingo, RM McCabe, KJ Gubler, WD AF Sutherland, A. M. Wingo, R. M. McCabe, K. J. Gubler, W. D. TI Development of a biological sensor for powdery mildew (Erysiphales) infections via monitoring of the proboscis extension reflex in honeybees SO PHYTOPATHOLOGY LA English DT Meeting Abstract CT Annual Meeting of the American-Phytopathological-Society (APS) CY AUG 07-11, 2010 CL Charlotte, NC SP Amer Phytopathol Soc C1 [Sutherland, A. M.; Gubler, W. D.] Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA. [McCabe, K. J.] Los Alamos Natl Lab, Biosci Dision B, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER PHYTOPATHOLOGICAL SOC PI ST PAUL PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA SN 0031-949X J9 PHYTOPATHOLOGY JI Phytopathology PD JUN PY 2010 VL 100 IS 6 SU S BP S124 EP S124 PG 1 WC Plant Sciences SC Plant Sciences GA 822JU UT WOS:000295042000736 ER PT J AU Xu, CC Moellering, ER Muthan, B Fan, JL Benning, C AF Xu, Changcheng Moellering, Eric R. Muthan, Bagyalakshmi Fan, Jilian Benning, Christoph TI Lipid Transport Mediated by Arabidopsis TGD Proteins is Unidirectional from the Endoplasmic Reticulum to the Plastid SO PLANT AND CELL PHYSIOLOGY LA English DT Article DE Fatty acid desaturase; Galactolipid; Lipid transport; TGD protein ID GLYCEROL-3-PHOSPHATE ACYLTRANSFERASE ACTIVITY; GENETIC-CHARACTERIZATION; PHOSPHATE DEPRIVATION; MUTANT DEFICIENT; PLASMA-MEMBRANE; CHLOROPLAST; BIOSYNTHESIS; DESATURASE; METABOLISM; PLANTS AB The transfer of lipids between the endoplasmic reticulum (ER) and the plastid in Arabidopsis involves the TRIGALACTOSYLDIACYLGLYCEROL (TGD) proteins. Lipid exchange is thought to be bidirectional based on the presence of specific lipid molecular species in Arabidopsis mutants impaired in the desaturation of fatty acids of membrane lipids in the ER and plastid. However, it was unclear whether TGD proteins were required for lipid trafficking in both directions. This question was addressed through the analysis of double mutants of tgd1-1 or tgd4-3 in genetic mutant backgrounds leading to a defect in lipid fatty acid desaturation either in the ER (fad2) or the plastid (fad6). The fad6 tgd1-1 and fad6 tgd4-3 double mutants showed drastic reductions in the relative levels of polyunsaturated fatty acids and of galactolipids. The growth of these plants and the development of photosynthetic membrane systems were severely compromised, suggesting a disruption in the import of polyunsaturated fatty acid-containing lipid species from the ER. Furthermore, a forward-genetic screen in the tgd1-2 dgd1 mutant background led to the isolation of a new fad6-2 allele with a marked reduction in the amount of digalactosyldiacylglycerol. In contrast, the introduction of fad2, affecting fatty acid desaturation of lipids in the ER, into the two tgd mutant backgrounds did not further decrease the level of fatty acid desaturation in lipids of extraplastidic membranes. These results suggest that the role of TGD proteins is limited to plastid lipid import, but does not extend to lipid export from the plastid to extraplastidic membranes. C1 [Xu, Changcheng; Moellering, Eric R.; Muthan, Bagyalakshmi; Benning, Christoph] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Xu, Changcheng; Fan, Jilian] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Moellering, Eric R.] Michigan State Univ, Dept Energy, Plant Res Lab, E Lansing, MI 48824 USA. RP Xu, CC (reprint author), Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. EM cxu@bnl.gov FU U.S. Department of Energy [DE-FG02-98ER20305]; U.S. National Science Foundation [MCB-0741395]; Brookhaven National Laboratory under U.S. Department of Energy FX This work was funded in parts by the U.S. Department of Energy (grant DE-FG02-98ER20305) and the U.S. National Science Foundation (grant MCB-0741395 to C.B.), and by a Laboratory Directed Research and Development Award at the Brookhaven National Laboratory under contract with the U.S. Department of Energy (to C.X.) NR 29 TC 21 Z9 24 U1 1 U2 13 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0032-0781 J9 PLANT CELL PHYSIOL JI Plant Cell Physiol. PD JUN PY 2010 VL 51 IS 6 BP 1019 EP 1028 DI 10.1093/pcp/pcq053 PG 10 WC Plant Sciences; Cell Biology SC Plant Sciences; Cell Biology GA 620XA UT WOS:000279534200015 PM 20410050 ER PT J AU Kang, BG Ye, X Osburn, LD Stewart, CN Cheng, ZM AF Kang, Byung-guk Ye, Xia Osburn, Lori D. Stewart, C. N., Jr. Cheng, Zong-Ming TI Transgenic hybrid aspen overexpressing the Atwbc19 gene encoding an ATP-binding cassette transporter confers resistance to four aminoglycoside antibiotics SO PLANT CELL REPORTS LA English DT Article DE Antibiotic-resistance genes; Aminoglycoside antibiotics; Plant-derived selection marker gene; Populus; Transformation ID SELECTABLE MARKER GENES; PLANTS; TRANSFORMATION; REGENERATION; BIOSAFETY; TOBACCO AB Antibiotic-resistance genes of bacterial origin are invaluable markers for plant genetic engineering. However, these genes are feared to pose possible risk to human health by horizontal gene transfer from transgenic plants to bacteria, potentially resulting in antibiotic-resistant pathogenic bacteria; this is a considerable regulatory concern in some countries. The Atwbc19 gene, encoding an Arabidopsis thaliana ATP-binding cassette transporter, has been reported to confer resistance to kanamycin specifically as an alternative to bacterial antibiotic-resistance genes. In this report, we transformed hybrid aspen (Populus canescens x P. grandidentata) with the Atwbc19 gene. Unlike Atwbc19-transgenic tobacco that was only resistant to kanamycin, the transgenic Populus plants also showed resistance to three other aminoglycoside antibiotics (neomycin, geneticin, and paromomycin) at comparable levels to plants containing a CaMV35S-nptII cassette. Although it is unknown why the transgenic Populus with the Atwbc19 gene is resistant to all aminoglycoside antibiotics tested, the broad utility of the Atwbc19 gene as a reporter gene is confirmed here in a second dicot species. Because the Atwbc19 gene is plant-ubiquitous, it might serve as an alternative selectable marker to current bacterial antibiotic-resistance marker genes and alleviate the potential risk for horizontal transfer of bacterial-resistance genes in transgenic plants. C1 [Kang, Byung-guk; Ye, Xia; Osburn, Lori D.; Stewart, C. N., Jr.; Cheng, Zong-Ming] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Cheng, Zong-Ming] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Cheng, ZM (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. EM zcheng@utk.edu OI Cheng, Zong-Ming/0000-0002-1811-591X FU DOE-Bioenergy Science Center; Department of Energy Cooperative [GO12026]; Tennessee Agricultural Experiment Station; Office of Biological and Environmental Research in the DOE Office of Science FX This research is supported in part by the DOE-Bioenergy Science Center grant to ZMC and The Consortium for Plant Biotechnology Research, Inc. by the Department of Energy Cooperative Agreement No. GO12026 to ZMC, and by the Tennessee Agricultural Experiment Station. The BioEnergy Science Center is a U. S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. This support does not constitute an endorsement by the DOE or by The Consortium for Plant Biotechnology Research, Inc. of the views expressed in this publication. NR 29 TC 10 Z9 11 U1 1 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0721-7714 J9 PLANT CELL REP JI Plant Cell Reports PD JUN PY 2010 VL 29 IS 6 BP 643 EP 650 DI 10.1007/s00299-010-0850-8 PG 8 WC Plant Sciences SC Plant Sciences GA 596WN UT WOS:000277716300009 PM 20383769 ER PT J AU Harholt, J Suttangkakul, A Scheller, HV AF Harholt, Jesper Suttangkakul, Anongpat Scheller, Henrik Vibe TI Biosynthesis of Pectin SO PLANT PHYSIOLOGY LA English DT Article ID CELL-WALL POLYSACCHARIDES; PARTICULATE ENZYME PREPARATION; PHASEOLUS AUREUS SEEDLINGS; SUSPENSION-CULTURED CELLS; RHAMNOGALACTURONAN-I; ARABIDOPSIS-THALIANA; SIDE-CHAINS; GLUCURONOXYLAN BIOSYNTHESIS; ARABINO-OLIGOSACCHARIDES; BIOINFORMATICS APPROACH C1 [Suttangkakul, Anongpat; Scheller, Henrik Vibe] Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA. [Suttangkakul, Anongpat; Scheller, Henrik Vibe] Lawrence Berkeley Natl Lab, Phys Biosci Div, Emeryville, CA 94608 USA. [Harholt, Jesper] Univ Copenhagen, Villum Kann Rasmussen Ctr Proact Plants, Dept Plant Biol & Biotechnol, Fac Life Sci, DK-1871 Copenhagen, Denmark. RP Scheller, HV (reprint author), Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA. EM hscheller@lbl.gov RI Scheller, Henrik/A-8106-2008; Harholt, Jesper/F-3760-2011; Harholt, Jesper/F-6865-2014 OI Scheller, Henrik/0000-0002-6702-3560; Harholt, Jesper/0000-0002-7984-0066 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Danish Villum Kann Rasmussen Foundation through the Villum Kann Rasmussen Centre Pro-active Plants FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (contract no. DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy), and by the Danish Villum Kann Rasmussen Foundation through the Villum Kann Rasmussen Centre Pro-active Plants. NR 101 TC 143 Z9 147 U1 8 U2 73 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 J9 PLANT PHYSIOL JI Plant Physiol. PD JUN PY 2010 VL 153 IS 2 BP 384 EP 395 DI 10.1104/pp.110.156588 PG 12 WC Plant Sciences SC Plant Sciences GA 605IC UT WOS:000278340200004 PM 20427466 ER PT J AU Harris, D Bulone, V Ding, SY DeBolt, S AF Harris, Darby Bulone, Vincent Ding, Shi-You DeBolt, Seth TI Tools for Cellulose Analysis in Plant Cell Walls SO PLANT PHYSIOLOGY LA English DT Article ID ATOMIC-FORCE MICROSCOPY; NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; BETA-GLUCAN SYNTHESIS; SYNTHESIZED IN-VITRO; SYNCHROTRON X-RAY; ARABIDOPSIS-THALIANA; PLASMA-MEMBRANE; SYNTHASE COMPLEXES; DETERGENT EXTRACTS C1 [Harris, Darby; DeBolt, Seth] Univ Kentucky, Dept Hort, Lexington, KY 40546 USA. [Harris, Darby; DeBolt, Seth] Univ Kentucky, Plant Physiol Biochem Mol Biol Program, Lexington, KY 40546 USA. [Bulone, Vincent] Royal Inst Technol, Div Glycosci, Sch Biotechnol, SE-10691 Stockholm, Sweden. [Ding, Shi-You] BioEnergy Sci Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP DeBolt, S (reprint author), Univ Kentucky, Dept Hort, Lexington, KY 40546 USA. EM sdebo2@email.uky.edu RI Bulone, Vincent/D-7469-2013 FU Swedish Centre for Biomimetic Fiber Engineering; National Science Foundation [SD: IOS: 0922947, EFRI: 0937657]; U.S. Department of Energy FX This work was supported by the Swedish Centre for Biomimetic Fiber Engineering (to V. B.), by the National Science Foundation (grant nos. SD: IOS: 0922947 and EFRI: 0937657 to S.-Y.D.), and by the U.S. Department of Energy (to S.-Y.D.). NR 71 TC 23 Z9 23 U1 4 U2 29 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 J9 PLANT PHYSIOL JI Plant Physiol. PD JUN PY 2010 VL 153 IS 2 BP 420 EP 426 DI 10.1104/pp.110.154203 PG 7 WC Plant Sciences SC Plant Sciences GA 605IC UT WOS:000278340200007 PM 20304970 ER PT J AU Lu, FC Marita, JM Lapierre, C Jouanin, L Morreel, K Boerjan, W Ralph, J AF Lu, Fachuang Marita, Jane M. Lapierre, Catherine Jouanin, Lise Morreel, Kris Boerjan, Wout Ralph, John TI Sequencing around 5-Hydroxyconiferyl Alcohol-Derived Units in Caffeic Acid O-Methyltransferase-Deficient Poplar Lignins SO PLANT PHYSIOLOGY LA English DT Article ID DFRC METHOD; TRANSGENIC POPLARS; OLIGOLIGNOLS; CLEAVAGE; TRIMERS; REVEALS; IMPACT; PLANTS; NMR AB Caffeic acid O-methyltransferase (COMT) is a bifunctional enzyme that methylates the 5- and 3-hydroxyl positions on the aromatic ring of monolignol precursors, with a preference for 5-hydroxyconiferaldehyde, on the way to producing sinapyl alcohol. Lignins in COMT-deficient plants contain benzodioxane substructures due to the incorporation of 5-hydroxyconiferyl alcohol (5-OH-CA), as a monomer, into the lignin polymer. The derivatization followed by reductive cleavage method can be used to detect and determine benzodioxane structures because of their total survival under this degradation method. Moreover, partial sequencing information for 5-OH-CA incorporation into lignin can be derived from detection or isolation and structural analysis of the resulting benzodioxane products. Results from a modified derivatization followed by reductive cleavage analysis of COMT-deficient lignins provide evidence that 5-OH-CA cross couples (at its beta-position) with syringyl and guaiacyl units (at their O-4-positions) in the growing lignin polymer and then either coniferyl or sinapyl alcohol, or another 5-hydroxyconiferyl monomer, adds to the resulting 5-hydroxyguaiacyl terminus, producing the benzodioxane. This new terminus may also become etherified by coupling with further monolignols, incorporating the 5-OH-CA integrally into the lignin structure. C1 [Lu, Fachuang; Ralph, John] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. [Lu, Fachuang; Ralph, John] Univ Wisconsin, Dept Energy, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Marita, Jane M.] ARS, US Dairy Forage Res Ctr, USDA, Madison, WI 53706 USA. [Lapierre, Catherine; Jouanin, Lise] INRA AgroParisTech, Inst Jean Pierre Bourgin, UMR 1318, F-78026 Versailles, France. [Morreel, Kris; Boerjan, Wout] VIB, Dept Plant Syst Biol, B-9052 Ghent, Belgium. [Morreel, Kris; Boerjan, Wout] Univ Ghent, Dept Plant Biotechnol & Genet, B-9052 Ghent, Belgium. RP Lu, FC (reprint author), Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. EM fachuanglu@wisc.edu OI Boerjan, Wout/0000-0003-1495-510X FU Division of Energy Biosciences, U.S. Department of Energy [DE-AI02-00ER15067]; Department of Energy Great Lakes Bioenergy Research Center (Department of Energy Office of Science) [BER DE-FC02-07ER64494]; GENOPLANTE; Region Ile de France (SESAME) FX This work was supported by the Division of Energy Biosciences, U.S. Department of Energy (grant no. DE-AI02-00ER15067), and also in part by the Department of Energy Great Lakes Bioenergy Research Center (Department of Energy Office of Science BER DE-FC02-07ER64494). The INRA component was supported partly by grants from GENOPLANTE, and Region Ile de France (SESAME grant). NR 36 TC 26 Z9 27 U1 0 U2 16 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 J9 PLANT PHYSIOL JI Plant Physiol. PD JUN PY 2010 VL 153 IS 2 BP 569 EP 579 DI 10.1104/pp.110.154278 PG 11 WC Plant Sciences SC Plant Sciences GA 605IC UT WOS:000278340200020 PM 20427467 ER PT J AU Pinchuk, GE Hill, EA Geydebrekht, OV De Ingeniis, J Zhang, XL Osterman, A Scott, JH Reed, SB Romine, MF Konopka, AE Beliaev, AS Fredrickson, JK Reed, JL AF Pinchuk, Grigoriy E. Hill, Eric A. Geydebrekht, Oleg V. De Ingeniis, Jessica Zhang, Xiaolin Osterman, Andrei Scott, James H. Reed, Samantha B. Romine, Margaret F. Konopka, Allan E. Beliaev, Alexander S. Fredrickson, Jim K. Reed, Jennifer L. TI Constraint-Based Model of Shewanella oneidensis MR-1 Metabolism: A Tool for Data Analysis and Hypothesis Generation SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID ESCHERICHIA-COLI METABOLISM; METAL-REDUCING BACTERIUM; GEOBACTER-SULFURREDUCENS; DISSIMILATORY REDUCTION; STOICHIOMETRIC MODEL; BIOMASS COMPOSITION; ADAPTIVE EVOLUTION; CARBON METABOLISM; HIGH-THROUGHPUT; GROWTH-RATE AB Shewanellae are gram-negative facultatively anaerobic metal-reducing bacteria commonly found in chemically (i.e., redox) stratified environments. Occupying such niches requires the ability to rapidly acclimate to changes in electron donor/acceptor type and availability; hence, the ability to compete and thrive in such environments must ultimately be reflected in the organization and utilization of electron transfer networks, as well as central and peripheral carbon metabolism. To understand how Shewanella oneidensis MR-1 utilizes its resources, the metabolic network was reconstructed. The resulting network consists of 774 reactions, 783 genes, and 634 unique metabolites and contains biosynthesis pathways for all cell constituents. Using constraint-based modeling, we investigated aerobic growth of S. oneidensis MR-1 on numerous carbon sources. To achieve this, we (i) used experimental data to formulate a biomass equation and estimate cellular ATP requirements, (ii) developed an approach to identify cycles (such as futile cycles and circulations), (iii) classified how reaction usage affects cellular growth, (iv) predicted cellular biomass yields on different carbon sources and compared model predictions to experimental measurements, and (v) used experimental results to refine metabolic fluxes for growth on lactate. The results revealed that aerobic lactate-grown cells of S. oneidensis MR-1 used less efficient enzymes to couple electron transport to proton motive force generation, and possibly operated at least one futile cycle involving malic enzymes. Several examples are provided whereby model predictions were validated by experimental data, in particular the role of serine hydroxymethyltransferase and glycine cleavage system in the metabolism of one-carbon units, and growth on different sources of carbon and energy. This work illustrates how integration of computational and experimental efforts facilitates the understanding of microbial metabolism at a systems level. C1 [Pinchuk, Grigoriy E.; Hill, Eric A.; Geydebrekht, Oleg V.; Reed, Samantha B.; Romine, Margaret F.; Konopka, Allan E.; Beliaev, Alexander S.; Fredrickson, Jim K.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [De Ingeniis, Jessica; Osterman, Andrei] Burnham Inst Med Res, La Jolla, CA USA. [Zhang, Xiaolin; Reed, Jennifer L.] Univ Wisconsin Madison, Dept Chem & Biol Engn, Madison, WI USA. [Scott, James H.] Dartmouth Coll, Dept Earth Sci, Hanover, NH 03755 USA. RP Pinchuk, GE (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM grigoriy.pinchuk@pnl.gov; reed@engr.wisc.edu RI Reed, Jennifer/E-5137-2011; Beliaev, Alexander/E-8798-2016; OI Beliaev, Alexander/0000-0002-6766-4632; Romine, Margaret/0000-0002-0968-7641 FU U.S. Department of Energy (DOE) Office of Biological and Environmental Research [DE-AC05-76RLO 1830] FX This research was supported by the U.S. Department of Energy (DOE) Office of Biological and Environmental Research under the Genomics:GTL Program via the Shewanella Federation consortium and the Microbial Genome Program (MGP). The Pacific Northwest National Laboratory is operated for the DOE by Battelle Memorial Institute under Contract DE-AC05-76RLO 1830. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 64 TC 56 Z9 57 U1 0 U2 25 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-734X EI 1553-7358 J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD JUN PY 2010 VL 6 IS 6 AR e1000822 DI 10.1371/journal.pcbi.1000822 PG 14 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA 618HA UT WOS:000279341000028 PM 20589080 ER PT J AU Zilman, A Di Talia, S Jovanovic-Talisman, T Chait, BT Rout, MP Magnasco, MO AF Zilman, Anton Di Talia, Stefano Jovanovic-Talisman, Tijana Chait, Brian T. Rout, Michael P. Magnasco, Marcelo O. TI Enhancement of Transport Selectivity through Nano-Channels by Non-Specific Competition SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID NUCLEAR-PORE COMPLEX; FACILITATED MEMBRANE-TRANSPORT; SITE CARRIER MEMBRANES; SINGLE-FILE PORES; TRANSLOCATION; MECHANISM; PERMEATION; DIFFUSION; DISCRIMINATION; PERMEABILITY AB The functioning of living cells requires efficient and selective transport of materials into and out of the cell, and between different cellular compartments. Much of this transport occurs through nano-scale channels that do not require large scale molecular re-arrangements (such as transition from a 'closed' to an 'open' state) and do not require a direct input of metabolic energy during transport. Nevertheless, these 'always open' channels are highly selective and pass only their cognate molecules, while efficiently excluding all others; indeed, these channels can efficiently transport specific molecules even in the presence of a vast excess of non-specific molecules. Such biological transporters have inspired the creation of artificial nano-channels. These channels can be used as nano-molecular sorters, and can also serve as testbeds for examining modes of biological transport. In this paper, we propose a simple kinetic mechanism that explains how the selectivity of such 'always open' channels can be based on the exclusion of non-specific molecules by specific ones, due to the competition for limited space inside the channel. The predictions of the theory account for the behavior of the nuclear pore complex and of artificial nanopores that mimic its function. This theory provides the basis for future work aimed at understanding the selectivity of various biological transport phenomena. C1 [Zilman, Anton] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA. [Zilman, Anton] Los Alamos Natl Lab, Ctr Nonlinear Studies, Div Theoret, Los Alamos, NM 87545 USA. [Di Talia, Stefano] Rockefeller Univ, Lab Yeast Mol Genet, New York, NY 10021 USA. [Jovanovic-Talisman, Tijana; Chait, Brian T.] Rockefeller Univ, Lab Mass Spectrometry & Gaseous Ion Chem, New York, NY 10021 USA. [Rout, Michael P.] Rockefeller Univ, Lab Cellular & Struct Biol, New York, NY 10021 USA. [Magnasco, Marcelo O.] Rockefeller Univ, Phys Math Lab, New York, NY 10021 USA. RP Zilman, A (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA. EM zilmana@lanl.gov; magnasco@rockefeller.edu OI Di Talia, Stefano/0000-0001-9758-7925; Jovanovic-Talisman, Tijana/0000-0003-1928-4763 FU US Department of Energy [DE-AC52-06NA25396]; NIH [GM062427, GM071329, RR00862] FX This research was performed under the auspices of the US Department of Energy under contract DE-AC52-06NA25396 (AZ) and supported by NIH grants GM062427 (MPR), GM071329 (MPR and BTC) and RR00862 (BTC). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 74 TC 29 Z9 29 U1 4 U2 11 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-734X EI 1553-7358 J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD JUN PY 2010 VL 6 IS 6 AR e1000804 DI 10.1371/journal.pcbi.1000804 PG 11 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA 618HA UT WOS:000279341000010 PM 20548778 ER PT J AU Lewicki, JP Pielichowski, K De la Croix, PT Janowski, B Todd, D Liggat, JJ AF Lewicki, James P. Pielichowski, Krzysztof De la Croix, Pauline Tremblot Janowski, Bartlomiej Todd, Deborah Liggat, John J. TI Thermal degradation studies of polyurethane/POSS nanohybrid elastomers SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE Polyurethane; POSS; Thermal degradation; Elastomer ID POLYHEDRAL OLIGOMERIC SILSESQUIOXANES; POSS; POLYMERIZATION AB Reported here is the synthesis of a series of polyurethane/POSS nanohybrid elastomers, the characterisation of their thermal stability and degradation behaviour at elevated temperatures using a combination of thermogravimetric Analysis (TGA) and thermal volatilisation analysis (TVA). A series of PU elastomer systems have been formulated incorporating varying levels of 1,2-propanediol-heptaisobutyl-POSS (PHIPOSS) as a chain extender unit, replacing butane diol. The bulk thermal stability of the nanohybrid systems has been characterised using TGA. Results indicate that covalent incorporation of POSS into the PU elastomer network increases the non-oxidative thermal stability of the systems. TVA analysis of the thermal degradation of the POSS/PU hybrid elastomers have demonstrated that the hybrid systems are indeed more thermally stable when compared to the unmodified PU matrix; evolving significantly reduced levels of volatile degradation products and exhibiting a similar to 30 degrees C increase in onset degradation temperature. Furthermore, characterisation of the distribution of degradation products from both unmodified and hybrid systems indicate that the inclusion of POSS in the PU network is directly influencing the degradation pathways of both the soft and hard-block components of the elastomers: The POSS/PU hybrid systems show reduced levels of CO, CO2, water and increased levels of THF as products of thermal degradation. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Lewicki, James P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [De la Croix, Pauline Tremblot; Todd, Deborah; Liggat, John J.] Univ Strathclyde, Dept Pure & Appl Chem, Glasgow G1 1XL, Lanark, Scotland. [Pielichowski, Krzysztof; Janowski, Bartlomiej] Cracow Univ Technol, Dept Chem & Technol Polymers, PL-31155 Krakow, Poland. RP Lewicki, JP (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM lewicki1@llnl.gov; j.j.liggat@strath.ac.uk OI Janowski, Bartlomiej/0000-0001-6779-3365; Liggat, John/0000-0003-4460-5178 FU Polish Ministry of Science and Higher Education [N N507 3657 33] FX This work has been partially supported by the Polish Ministry of Science and Higher Education under contract No. N N507 3657 33. NR 18 TC 41 Z9 43 U1 8 U2 40 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 EI 1873-2321 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD JUN PY 2010 VL 95 IS 6 BP 1099 EP 1105 DI 10.1016/j.polymdegradstab.2010.02.021 PG 7 WC Polymer Science SC Polymer Science GA 610RA UT WOS:000278750800025 ER PT J AU Blanton, T Havrilla, G Huang, TC AF Blanton, Tom Havrilla, George Huang, Ting C. TI 58th Denver X-ray Conference and selected papers for the special June Powder Diffraction issue SO POWDER DIFFRACTION LA English DT Editorial Material C1 [Blanton, Tom] Eastman Kodak Co, Advances Xray Anal, Rochester, NY 14650 USA. [Havrilla, George] Los Alamos Natl Lab, Advances Xray Anal, Los Alamos, NM 87545 USA. RP Blanton, T (reprint author), Eastman Kodak Co, Advances Xray Anal, Rochester, NY 14650 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2010 VL 25 IS 2 BP 89 EP 89 PG 1 WC Materials Science, Characterization & Testing SC Materials Science GA 610FZ UT WOS:000278718400001 ER PT J AU Murray, CE Ying, AJ Polvino, SM Noyan, IC Cai, Z AF Murray, Conal E. Ying, A. J. Polvino, S. M. Noyan, I. C. Cai, Z. TI Nanoscale strain characterization in microelectronic materials using X-ray diffraction SO POWDER DIFFRACTION LA English DT Article; Proceedings Paper CT 58th Annual Denver X-ray Conference CY JUL 27-31, 2009 CL Colorado Springs, CO DE stress; thin films; X-ray diffraction ID MECHANICAL-STRESS; SILICON AB The engineering of strained semiconductor materials represents an important aspect of the enhancement in CMOS device performance required for current and future generations of microelectronic technology. An understanding of the mechanical response of the Si channel regions and their environment is key to the prediction and design of device operation. Because of the complexity of the composite geometries associated with microelectronic circuitry, in situ characterization at a submicron resolution is necessary to verify the predicted strain distributions. Of the measurement techniques commonly used for strain characterization, synchrotron-based X-ray microbeam diffraction represents the best nondestructive method to provide spatially resolved information. The mapping of strain distributions in silicon-on-insulator (SOI) features induced by overlying silicon nitride structures and embedded heteroepitaxial features adjacent to SOI device channels are presented. The interaction regions of the SOI strain were observed to extend large distances from the SOI/stressor interfaces leading to significant overlap in the strain distributions at technically relevant dimensions. Experimental data were also compared to several mechanical models to assess their validity in predicting these strain distributions. (C) 2010 International Centre for Diffraction Data. [DOT: 10.1154/1.3394205] C1 [Murray, Conal E.] IBM Corp, TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Ying, A. J.; Polvino, S. M.; Noyan, I. C.] Columbia Univ, Dept Appl Phys & Math, New York, NY 10027 USA. [Cai, Z.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Murray, CE (reprint author), IBM Corp, TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. EM conal@us.ibm.com NR 18 TC 4 Z9 4 U1 0 U2 3 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2010 VL 25 IS 2 BP 108 EP 113 DI 10.1154/1.3394205 PG 6 WC Materials Science, Characterization & Testing SC Materials Science GA 610FZ UT WOS:000278718400006 ER PT J AU Rodriguez, MA Van Benthem, MH Ingersoll, D Vogel, SC Reiche, HM AF Rodriguez, Mark A. Van Benthem, Mark H. Ingersoll, David Vogel, Sven C. Reiche, Helmut M. TI In situ analysis of LiFePO4 batteries: Signal extraction by multivariate analysis SO POWDER DIFFRACTION LA English DT Article; Proceedings Paper CT 58th Annual Denver X-ray Conference CY JUL 27-31, 2009 CL Colorado Springs, CO DE in situ neutron scattering; Li-ion battery; LiFePO4; FePO4; Li-graphite phases ID X-RAY-DIFFRACTION; STORAGE AB The electrochemical reaction behavior of a commercial Li-ion battery (LiFePO4-based cathode, graphite-based anode) has been measured via in situ neutron diffraction. A multivariate analysis was successfully applied to the neutron diffraction data set facilitating in the determination of Li bearing phases participating in the electrochemical reaction in both the anode and cathode as a function of state-of-charge (SOC). The analysis resulted in quantified phase fraction values for LiFePO4 and FePO4 cathode compounds as well as the identification of staging behavior of Li-6, Li-12, Li-24, and graphite phases in the anode. An additional Li-graphite phase has also been tentatively identified during electrochemical cycling as LiC48 at conditions of similar to 5% to 15% SOC. (C) 2010 International Centre for Diffraction Data. [DOI: 10.1154/1.3393786] C1 [Rodriguez, Mark A.; Van Benthem, Mark H.; Ingersoll, David] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Vogel, Sven C.; Reiche, Helmut M.] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Rodriguez, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 NR 14 TC 27 Z9 27 U1 0 U2 18 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2010 VL 25 IS 2 BP 143 EP 148 DI 10.1154/1.3393786 PG 6 WC Materials Science, Characterization & Testing SC Materials Science GA 610FZ UT WOS:000278718400012 ER PT J AU Mao, WL Wang, L Ding, Y Yang, WG Liu, WJ Kim, DY Luo, W Ahuja, R Meng, Y Sinogeikin, S Shu, JF Mao, HK AF Mao, Wendy L. Wang, Lin Ding, Yang Yang, Wenge Liu, Wenjun Kim, Duck Young Luo, Wei Ahuja, Rajeev Meng, Yue Sinogeikin, Stas Shu, Jinfu Mao, Ho-kwang TI Distortions and stabilization of simple-cubic calcium at high pressure and low temperature SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE high pressure; phase transition; superconductivity ID LATTICE-DYNAMICS; PHASE; CA; VANADIUM; METALS; SODIUM AB Ca-III, the first superconducting calcium phase under pressure, was identified as simple-cubic (sc) by previous X-ray diffraction (XRD) experiments. In contrast, all previous theoretical calculations showed that sc had a higher enthalpy than many proposed structures and had an imaginary (unstable) phonon branch. By using our newly developed submicrometer high-pressure single-crystal XRD, cryogenic high-pressure XRD, and theoretical calculations, we demonstrate that Ca-III is neither exactly sc nor any of the lower-enthalpy phases, but sustains the sc-like, primitive unit by a rhombohedral distortion at 300 K and a monoclinic distortion below 30 K. This surprising discovery reveals a scenario that the high-pressure structure of calcium does not go to the zero-temperature global enthalpy minimum but is dictated by high-temperature anharmonicity and low-temperature metastability fine-tuned with phonon stability at the local minimum. C1 [Mao, Wendy L.] Stanford Univ, Stanford, CA 94305 USA. [Mao, Wendy L.] Stanford Linear Accelerator Ctr, Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Wang, Lin; Ding, Yang; Yang, Wenge; Mao, Ho-kwang] Carnegie Inst Washington, High Pressure Synerget Consortium, Argonne, IL 60439 USA. [Yang, Wenge; Meng, Yue; Sinogeikin, Stas; Mao, Ho-kwang] Carnegie Inst Washington, High Pressure Collaborat Access Team, Argonne, IL 60439 USA. [Liu, Wenjun] Argonne Natl Lab, Argonne, IL 60439 USA. [Kim, Duck Young; Luo, Wei; Ahuja, Rajeev] Uppsala Univ, Condensed Matter Theory Grp, Dept Phys, Uppsala, Sweden. [Kim, Duck Young] Cavendish Lab, Condensed Matter Theory Grp, Cambridge CB3 0HE, England. [Luo, Wei; Ahuja, Rajeev] Royal Inst Technol, Dept Mat Sci & Engn, Stockholm, Sweden. [Shu, Jinfu; Mao, Ho-kwang] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. RP Mao, WL (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM wmao@stanford.edu RI Mao, Wendy/D-1885-2009; Yang, Wenge/H-2740-2012; WANG, LIN/G-7884-2012; Kim, DuckYoung/K-8387-2013; Ding, Yang/K-1995-2014 OI Kim, DuckYoung/0000-0002-0765-6374; Ding, Yang/0000-0002-8845-4618 FU Department of Energy, Office of Basic Energy Sciences (DOE-BES); Division of Materials Sciences and Engineering [DE-AC02-76SF00515]; DOE-BES [DE-SC0001057, DE-AC02-06CH11357]; DOE-National Nuclear Security Administration (Carnegie/Department of Energy Alliance Center); National Science Foundation; Wenner-Gren stiftelserna FX This work is supported by the Department of Energy, Office of Basic Energy Sciences (DOE-BES), Division of Materials Sciences and Engineering, under Contract DE-AC02-76SF00515. HPSynC is supported as part of the EFree, an Energy Frontier Research Center funded by DOE-BES under Award DE-SC0001057. HPCAT is supported by DOE-BES, DOE-National Nuclear Security Administration (Carnegie/Department of Energy Alliance Center), and National Science Foundation. Use of the APS was supported by DOE-BES under Contract DE-AC02-06CH11357. D.Y.K. and R. A. acknowledge Wenner-Gren stiftelserna for financial support and Swedish National Infrastructure for Computing and Uppsala Multidisciplinary Center for Advanced Computational Science for providing computer time. NR 31 TC 28 Z9 28 U1 0 U2 8 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUN 1 PY 2010 VL 107 IS 22 BP 9965 EP 9968 DI 10.1073/pnas.1005279107 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 603ZD UT WOS:000278246000013 PM 20479266 ER PT J AU Tang, LL Nogales, E Ciferri, C AF Tang, Liling Nogales, Eva Ciferri, Claudio TI Structure and function of SWI/SNF chromatin remodeling complexes and mechanistic implications for transcription SO PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY LA English DT Review DE Chromatin; Remodeling; SWI/SNF; Structure ID TILT RECONSTRUCTION METHOD; RSC-NUCLEOSOME COMPLEX; ELECTRON-MICROSCOPY; DNA TRANSLOCATION; PROTEINS; YEAST; SUBUNIT; ACTIVATION; SWI2/SNF2; HISTONES AB ATP-dependent chromatin remodeling complexes are specialized protein machinery able to restructure the nucleosome to make its DNA accessible during transcription, replication and DNA repair. During the past few years structural biologists have defined the architecture and dynamics of some of these complexes using electron microscopy, shedding light on the mechanisms of action of these important assemblies. In this paper we review the existing structural information on the SWI/SNF family of the ATP-dependent chromatin remodeling complexes, and discuss their mechanistic implications. Published by Elsevier Ltd. C1 [Nogales, Eva; Ciferri, Claudio] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Tang, Liling] Chongqing Univ, Key Lab Biorheol Sci & Technol, Minist Educ Chongqing, Chongqing 400044, Peoples R China. [Tang, Liling] Chongqing Univ, Coll Bioengn, Chongqing 400044, Peoples R China. [Nogales, Eva] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. RP Nogales, E (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM enogales@lbl.gov; cciferri@berkeley.edu FU Li Ka Shing grant; National Cancer Institute; American Italian Cancer Foundation FX We thank Gabriel C. Lander for critical reading of the manuscript. This work was supported by a Li Ka Shing grant (LT. and E.N.), and funding from the National Cancer Institute (E.N.) C.C. is a recipient of the American Italian Cancer Foundation. E.N. is a Howard Hughes Medical Institute Investigator. NR 48 TC 43 Z9 46 U1 7 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0079-6107 J9 PROG BIOPHYS MOL BIO JI Prog. Biophys. Mol. Biol. PD JUN-JUL PY 2010 VL 102 IS 2-3 BP 122 EP 128 DI 10.1016/j.pbiomolbio.2010.05.001 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 639CN UT WOS:000280948500003 PM 20493208 ER PT J AU Tappan, AS Basiliere, M Ball, JP Snedigar, S Fischer, GJ Salton, J AF Tappan, Alexander S. Basiliere, Marc Ball, J. Patrick Snedigar, Shane Fischer, Gary J. Salton, Jonathan TI Linear Actuation Using Milligram Quantities of CL-20 and TAGDNAT SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article; Proceedings Paper CT 36th International Pyrotechnics Seminar CY AUG, 2009 CL Rotterdam, NETHERLANDS DE Actuation; Explosives; Propellants ID GUN PROPELLANT; REQUIREMENTS AB There are numerous applications for small-scale actuation utilizing pyrotechnics and explosives. In certain applications, especially when multiple actuation strokes are needed, or actuator reuse is required, it is desirable to have all gaseous combustion products with no condensed residue in the actuator cylinder. Toward this goal, we have performed experiments on utilizing milligram quantities of high explosives to drive a millimeter-diameter actuator with a stroke of 30 mm. Calculations were performed to select proper material quantities to provide 0.5 J of actuation energy. This was performed utilizing the thermochemical code Cheetah to calculate the impetus for numerous propellants and to select quantities based on estimated efficiencies of these propellants at small scales. Milligram quantities of propellants were loaded into a small-scale actuator and ignited with an ignition increment and hot wire ignition. Actuator combustion chamber pressure was monitored with a pressure transducer and actuator stroke was monitored using a laser displacement meter. Total actuation energy was determined by calculating the kinetic energy of reaction mass motion against gravity. Of the materials utilized, the best performance was obtained with a mixture of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and bis-triaminoguanidinium(3,3' dinitroazotriazolate) (TAGDNAT). C1 [Tappan, Alexander S.; Basiliere, Marc; Ball, J. Patrick; Snedigar, Shane; Fischer, Gary J.; Salton, Jonathan] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Tappan, AS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM astappa@sandia.gov NR 20 TC 0 Z9 0 U1 1 U2 4 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0721-3115 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD JUN PY 2010 VL 35 IS 3 BP 207 EP 212 DI 10.1002/prep.201000025 PG 6 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA 620CM UT WOS:000279476600003 ER PT J AU Sampathkumar, P Ozyurt, SA Do, J Bain, KT Dickey, M Rodgers, LA Gheyi, T Sali, A Kim, SJ Phillips, J Pieper, U Fernandez-Martinez, J Franke, JD Martel, A Tsuruta, H Atwell, S Thompson, DA Emtage, JS Wasserman, SR Rout, MP Sauder, JM Burley, SK AF Sampathkumar, Parthasarathy Ozyurt, Sinem A. Do, Johnny Bain, Kevin T. Dickey, Mark Rodgers, Logan A. Gheyi, Tarun Sali, Andrej Kim, Seung Joong Phillips, Jeremy Pieper, Ursula Fernandez-Martinez, Javier Franke, Josef D. Martel, Anne Tsuruta, Hiro Atwell, Shane Thompson, Devon A. Emtage, J. Spencer Wasserman, Stephen R. Rout, Michael P. Sauder, J. Michael Burley, Stephen K. TI Structures of the autoproteolytic domain from the Saccharamyces cerevisiae nuclear pore complex component, Nup145 SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE nuclear pore complex; Nup145; Nup145N; structural genomics; autoproteolysis ID HUMAN NUCLEOPORIN NUP98; RAY SOLUTION SCATTERING; SMALL-ANGLE SCATTERING; MACROMOLECULAR ASSEMBLIES; MOLECULAR ARCHITECTURE; BIOGENESIS PATHWAY; TARGETING DOMAIN; PROTEIN; CONFORMATIONS; REFINEMENT C1 [Sampathkumar, Parthasarathy; Ozyurt, Sinem A.; Do, Johnny; Bain, Kevin T.; Dickey, Mark; Rodgers, Logan A.; Gheyi, Tarun; Atwell, Shane; Thompson, Devon A.; Emtage, J. Spencer; Sauder, J. Michael; Burley, Stephen K.] Eli Lilly & Co, Lilly Biotechnol Ctr, New York SGX Res Ctr Struct Genom NYSGXRC, San Diego, CA 92121 USA. [Sali, Andrej; Kim, Seung Joong; Phillips, Jeremy; Pieper, Ursula] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94158 USA. [Sali, Andrej; Kim, Seung Joong; Phillips, Jeremy; Pieper, Ursula] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. [Sali, Andrej; Kim, Seung Joong; Phillips, Jeremy; Pieper, Ursula] Univ Calif San Francisco, Calif Inst Quantitat Biosci, San Francisco, CA 94158 USA. [Fernandez-Martinez, Javier; Franke, Josef D.; Rout, Michael P.] Rockefeller Univ, Lab Cellular & Struct Biol, New York, NY 10065 USA. [Martel, Anne; Tsuruta, Hiro] Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Wasserman, Stephen R.] Eli Lilly & Co, Adv Photon Source, Argonne Natl Lab, LRL CAT, Argonne, IL 60439 USA. RP Sampathkumar, P (reprint author), Eli Lilly & Co, Lilly Biotechnol Ctr, New York SGX Res Ctr Struct Genom NYSGXRC, 10300 Campus Point Dr,Suite 200, San Diego, CA 92121 USA. EM sampathkumarpa@lilly.com RI Pieper, Ursula/E-4444-2010 FU NIH [U54 GM074945, R01 GM062427, U54 RR022220]; Office of Science, Office of Biological and Environmental Research, U.S. Department of Energy [DE-AC02-050-111231]; U.S. Department of Energy; Office of Basic Energy Sciences; SSRL Structural Molecular Biology program; Office of Biological and Environmental Research; NIH National Center for Research Resources; Biotechnology program FX Grant sponsor: NIH; Grant numbers: U54 GM074945, R01 GM062427, U54 RR022220; Grant sponsor: Office of Science, Office of Biological and Environmental Research, U.S. Department of Energy; Grant number: DE-AC02-050-111231; Grant sponsors: U.S. Department of Energy, Office of Basic Energy Sciences, SSRL Structural Molecular Biology program, U.S. Department of Energy, Office of Biological and Environmental Research, The NIH National Center for Research Resources, Biotechnology program. NR 44 TC 8 Z9 8 U1 1 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD JUN PY 2010 VL 78 IS 8 BP 1992 EP 1998 DI 10.1002/prot.22707 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 597ON UT WOS:000277767700016 PM 20310066 ER PT J AU High, FW Stubbs, CW Stalder, B Gilmore, DK Tonry, JL AF High, F. William Stubbs, Christopher W. Stalder, Brian Gilmore, David Kirk Tonry, John L. TI Sky Variability in the y Band at the LSST Site SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC LA English DT Article ID HYDROXYL AIRGLOW; NIGHT-SKY; IMAGER; ATLAS; LINES AB We have measured spatial and temporal variability in the y-band sky brightness over the course of four nights above Cerro Tololo near Cerro Pachon, Chile, the planned site for the Large Synoptic Survey Telescope (LSST). Our wide-angle camera lens provided a 41 degrees field of view and a 145 ''. pixel scale. We minimized potential system throughput differences by deploying a deep-depletion CCD and a filter that matches the proposed LSST y(3) band (970 -1030 nm). Images of the sky exhibited coherent wave structure, attributable to atmospheric gravity waves at 90 km altitude, creating 3%-4% rms spatial sky flux variability on scales of about 2 degrees and larger. Over the course of a full night, the y(3) band additionally showed highly coherent temporal variability of up to a factor of 2 in flux. We estimate the mean absolute sky level to be approximately y(3) = 17.8 mag (Vega), or y(3) = 18.3 mag (AB). While our observations were made through a y(3) filter, the relative sky brightness variability should hold for all proposed y bands, whereas the absolute levels should more strongly depend on spectral response. The spatial variability presents a challenge to wide-field cameras that require illumination correction strategies that make use of stacked sky flats. The temporal variability may warrant an adaptive y band imaging strategy for LSST, to take advantage of times when the sky is darkest. C1 [High, F. William; Stubbs, Christopher W.; Stalder, Brian] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [High, F. William; Stubbs, Christopher W.; Stalder, Brian] Harvard Univ, Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Gilmore, David Kirk] Stanford Linear Accelerator Ctr, Kavli Inst Particle Astrophys & Cosmol, Palo Alto, CA 94025 USA. [Tonry, John L.] Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA. RP High, FW (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. EM high@physics.harvard.edu RI Stubbs, Christopher/C-2829-2012 OI Stubbs, Christopher/0000-0003-0347-1724 FU National Science Foundation [AST-0551161, AST-0132798]; Department of Energy laboratories; LSSTC; National Aeronautics and Space Administration and the National Science Foundation FX We thank the LSST Corporation, Harvard University, and the US Department of Energy Office of Science and the National Science Foundation for their support. The LSST design and development activity is supported by the National Science Foundation under Scientific Program Order No. 9 (AST-0551161) through Cooperative Agreement AST-0132798. Additional funding comes from private donations, in-kind support at Department of Energy laboratories, and other LSSTC Institutional Members. We thank the CTIO scientific and technical staff for their invaluable help in setting up these observations. We are also very grateful to the team that is establishing the astrometry. net online resource, which we used in its testing phase to determine the centers of the images we obtained. The authors gratefully acknowledge the referee for insightful comments and recommendations. This publication makes use of data products from the Two Micron All Sky Survey, which is a joint project of the University of Massachusetts and the Infrared Processing and Analysis Center/California Institute of Technology, funded by the National Aeronautics and Space Administration and the National Science Foundation. NR 24 TC 5 Z9 5 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6280 EI 1538-3873 J9 PUBL ASTRON SOC PAC JI Publ. Astron. Soc. Pac. PD JUN PY 2010 VL 122 IS 892 BP 722 EP 730 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 600NK UT WOS:000277993400009 ER PT J AU Ovchinnikova, OS Van Berkel, GJ AF Ovchinnikova, Olga S. Van Berkel, Gary J. TI Thin-layer chromatography and mass spectrometry coupled using proximal probe thermal desorption with electrospray or atmospheric pressure chemical ionization SO RAPID COMMUNICATIONS IN MASS SPECTROMETRY LA English DT Article ID PLANAR CHROMATOGRAPHY; SEPARATIONS; SYSTEM; COLUMN; MS AB An atmospheric pressure proximal probe thermal desorption sampling method coupled with secondary ionization by electrospray or atmospheric pressure chemical ionization was demonstrated for the mass spectrometric analysis of a diverse set of compounds (dyestuffs, pharmaceuticals, explosives and pesticides) separated on various high-performance thin-layer chromatography plates. Line scans along or through development lanes on the plates were carried out by moving the plate relative to a stationary heated probe positioned close to or just touching the stationary phase surface. Vapors of the compounds thermally desorbed from the surface were drawn into the ionization region of a combined electrospray ionization/atmospheric pressure chemical ionization source where they merged with reagent ions and/or charged droplets from a corona discharge or an electrospray emitter and were ionized. The ionized components were then drawn through the atmospheric pressure sampling orifice into the vacuum region of a triple quadrupole mass spectrometer and detected using full scan, single ion monitoring, or selected reaction monitoring mode. Studies of variable parameters and performance metrics including the proximal probe temperature, gas flow rate into the ionization region, surface scan speed, read-out resolution, detection limits, and surface type are discussed. Published in 2010 by John Wiley & Sons, Ltd. C1 [Ovchinnikova, Olga S.; Van Berkel, Gary J.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. [Ovchinnikova, Olga S.; Van Berkel, Gary J.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Van Berkel, GJ (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. EM vanberkelgj@ornl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, United States Department of Energy FX Michael Balogh at Waters Corp. is thanked for the loan of the TQD mass spectrometer as part of a Beta Test agreement. James Bradshaw (ORNL) is thanked for fabricating a modified inlet gas cone. This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, United States Department of Energy. Oak Ridge National Laboratory (ORNL) is managed by UT-Battelle, LLC for the U.S. Department of Energy under contract DE-AC05-00OR22725. This manuscript has been authored by a contractor of the U.S. Government under contract DE-AC05-00OR22725. Accordingly, the U. S. Government retains a paid-up, nonexclusive, irrevocable, worldwide license to publish or reproduce the published form of this contribution, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, or allow others to do so, for U.S. Government purposes. NR 30 TC 20 Z9 20 U1 0 U2 10 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0951-4198 J9 RAPID COMMUN MASS SP JI Rapid Commun. Mass Spectrom. PD JUN PY 2010 VL 24 IS 12 BP 1721 EP 1729 DI 10.1002/rcm.4551 PG 9 WC Biochemical Research Methods; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 609MS UT WOS:000278661400001 PM 20499315 ER PT J AU Boring, RL Hendrickson, SML Forester, JA Tran, TQ Lois, E AF Boring, Ronald L. Hendrickson, Stacey M. L. Forester, John A. Tran, Tuan Q. Lois, Erasmia TI Issues in benchmarking human reliability analysis methods: A literature review SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Review DE Human reliability analysis; Comparison; Benchmark ID HUMAN ERROR IDENTIFICATION; QUANTIFICATION TECHNIQUES; USERS PREFERENCES; THERP; VALIDATION; EXERCISE; HEART; JHEDI AB There is a diversity of human reliability analysis (HRA) methods available for use in assessing human performance within probabilistic risk assessments (PRA). Due to the significant differences in the methods, including the scope, approach, and underlying models, there is a need for an empirical comparison investigating the validity and reliability of the methods. To accomplish this empirical comparison, a benchmarking study comparing and evaluating HRA methods in assessing operator performance in simulator experiments is currently underway. In order to account for as many effects as possible in the construction of this benchmarking study, a literature review was conducted, reviewing past benchmarking studies in the areas of psychology and risk assessment. A number of lessons learned through these studies is presented in order to aid in the design of future HRA benchmarking endeavors. Published by Elsevier Ltd. C1 [Boring, Ronald L.; Hendrickson, Stacey M. L.; Forester, John A.] Sandia Natl Labs, Risk & Reliabil Anal Dept, Albuquerque, NM 87185 USA. [Tran, Tuan Q.] Idaho Natl Lab, Human Factors & Instrumentat & Control Syst Dept, Idaho Falls, ID 83404 USA. [Lois, Erasmia] US Nucl Regulatory Commiss, Human Factors & Reliabil Branch, Washington, DC 20555 USA. RP Forester, JA (reprint author), Sandia Natl Labs, Risk & Reliabil Anal Dept, POB 5800, Albuquerque, NM 87185 USA. EM jafores@sandia.gov FU US Nuclear Regulatory Commission (USNRC); Idaho National Laboratory, Sandia; United States Department of Energy [DE-AC04-94AL85000] FX This work was funded by the US Nuclear Regulatory Commission (USNRC) and performed at Sandia National Laboratories and at Idaho National Laboratory (under contract from Sandia). 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. The opinions expressed in this paper are those of the authors and not of USNRC or of the other organizations. We would like to acknowledge the contributions of members of the steering committee for the ongoing HRA benchmarking study conducted at the Halden Man-Machine Laboratory (HAMMLAB) simulators at the OECD Halden Reactor Project in Norway. The identification of various HRA benchmarking experimental design issues in this literature review benefited from discussions with these individuals and others at various times. They include: Andreas Bye, Helena Broberg, Michael Hildebrandt, Vinh Dang, Jeff Julius, Alan Kolaczkowski, Bruce Hallbert, and Gareth Parry. NR 36 TC 8 Z9 8 U1 2 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD JUN PY 2010 VL 95 IS 6 BP 591 EP 605 DI 10.1016/j.ress.2010.02.002 PG 15 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 588YT UT WOS:000277111300001 ER PT J AU Kornilov, O Wilcox, R Gessner, O AF Kornilov, Oleg Wilcox, Russell Gessner, Oliver TI Nanograting-based compact vacuum ultraviolet spectrometer and beam profiler for in situ characterization of high-order harmonic generation light sources SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ACHROMATIC INTERFEROMETRIC LITHOGRAPHY; QUANTUM DETECTION EFFICIENCY; MICROCHANNEL PLATES; EXTREME-ULTRAVIOLET; LASER-PULSES; RAY; SPECTROSCOPY; ATOMS; DYNAMICS; GRATINGS AB A compact, versatile device for vacuum ultraviolet (VUV) beam characterization is presented. It combines the functionalities of a VUV spectrometer and a VUV beam profiler in one unit and is entirely supported by a standard DN200 CF flange. The spectrometer employs a silicon nitride transmission nanograting in combination with a microchannel plate-based imaging detector. This enables the simultaneous recording of wavelengths ranging from 10 to 80 nm with a resolution of 0.25-0.13 nm. Spatial beam profiles with diameters up to 10 mm are imaged with 0.1 mm resolution. The setup is equipped with an in-vacuum translation stage that allows for in situ switching between the spectrometer and beam profiler modes and for moving the setup out of the beam. The simple, robust design of the device is well suited for nonintrusive routine characterization of emerging laboratory- and accelerator-based VUV light sources. Operation of the device is demonstrated by characterizing the output of a femtosecond high-order harmonic generation light source. (C) 2010 American Institute of Physics. [doi:10.1063/1.3443575] C1 [Kornilov, Oleg; Gessner, Oliver] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. [Wilcox, Russell] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Engn, Berkeley, CA 94720 USA. RP Kornilov, O (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. FU Office of Science, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We would like to thank A. Cronin and W. Schollkopf for providing us with test transmission gratings, O. Bunermann and M.-F. Lin for help with the experiments, and Jiro Itatani for helpful discussions. NR 35 TC 7 Z9 7 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2010 VL 81 IS 6 AR 063109 DI 10.1063/1.3443575 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 628GG UT WOS:000280102200009 PM 20590227 ER PT J AU McCloy, JS Ryan, JV Droubay, T Kaspar, TC Chambers, S Look, DC AF McCloy, John S. Ryan, Joseph V. Droubay, Timothy Kaspar, Tiffany C. Chambers, Scott Look, David C. TI Magnetotransport properties of high quality Co:ZnO and Mn:ZnO single crystal pulsed laser deposition films: Pitfalls associated with magnetotransport on high resistivity materials SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ELECTRICAL-PROPERTIES; QUANTUM DOTS; THIN-FILMS; BULK ZNO; SPECTROSCOPY; PLACEMENT AB The electrical resistivity values for a series of pure and doped (Co, Mn, Al) ZnO epitaxial films grown by pulsed laser deposition were measured with equipment designed for determining the direct current resistivity of high resistance samples. Room-temperature resistances ranging from 7 x 10(1) to 4 x 10(8) Omega/sq were measured on vacuum-reduced cobalt-doped ZnO, (AI,Co) co-doped ZnO, pure cobalt-doped ZnO, Mn-doped ZnO, and undoped ZnO. Using a four-point collinear geometry with gold spring-loaded contacts, resistivities were measured from 295 to 5 K for resistances of < similar to 10(12) Omega/sq. In addition, magnetoresistance and Hall effect were measured as a function of temperature for select samples. Throughout the investigation, samples were also measured on commercially available instrumentation with good agreement. The challenges of transport measurements on high resistivity samples are discussed, along with some offered solutions to those challenges. (C) 2010 American Institute of Physics. [doi:10.1063/1.3436648] C1 [McCloy, John S.; Ryan, Joseph V.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Droubay, Timothy; Kaspar, Tiffany C.; Chambers, Scott] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99354 USA. [Look, David C.] Wright State Univ, Semicond Res Ctr, Dayton, OH 45434 USA. RP McCloy, JS (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RI McCloy, John/D-3630-2013; Droubay, Tim/D-5395-2016 OI McCloy, John/0000-0001-7476-7771; Droubay, Tim/0000-0002-8821-0322 FU U.S. Department of Energy, Office of Science, Division of Materials Sciences and Engineering; Department of Energy's Office of Biological and Environmental Research; U.S. Department of Energy [DE-AC05-76RL01830]; AFOSR [FA9550-07-1-0013]; NSF [DMR0513968]; DOE [DE-FG02-07ER46389] FX This work at PNNL was supported by the U.S. Department of Energy, Office of Science, Division of Materials Sciences and Engineering, and was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL. PNNL is operated for the U.S. Department of Energy by Battelle under Contract No. DE-AC05-76RL01830. The work at Wright State University (WSU) was supported by AFOSR Grant No. FA9550-07-1-0013, NSF Grant No. DMR0513968, and DOE Grant No. DE-FG02-07ER46389. The authors would also like to thank Daniel Gamelin, Claire Johnson, and Kelly Whitaker for their preparation of the colloidal nanoparticles used to generate some PLD targets, and Tim Cooper for the Hall-effect measurements carried out at WSU. NR 29 TC 4 Z9 4 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2010 VL 81 IS 6 AR 063902 DI 10.1063/1.3436648 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 628GG UT WOS:000280102200029 PM 20590247 ER PT J AU Stevens, GD Turley, WD Veeser, LR Jensen, BJ Rigg, PA AF Stevens, G. D. Turley, W. D. Veeser, L. R. Jensen, B. J. Rigg, P. A. TI Reflectance changes during shock-induced phase transformations in metals SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID WAVE; SAPPHIRE; ALPHA; IRON AB In performing shock wave experiments to study the characteristics of metals at high pressures, wave profiles (i.e., velocity measurements of the surface of the sample) are an established and useful way to study phase transformations. For example, a sudden change in the velocity or its slope can occur when the phase transformation induces a large volume change leading to a change in particle velocity. Allowing the shock to release into a transparent window that is in contact with the sample surface allows the study of conditions away from the shock Hugoniot. However, in cases where the wave profile is not definitive, an additional phase-transformation diagnostic is often useful. Changes in the electronic structure of the atoms in the crystal offer opportunities to develop new phase-change diagnostics. We have studied optical reflectance changes for several shock-induced phase transformations to see whether reflectance changes might be a generally applicable phase-transformation diagnostic. Shocks were produced by direct contact with explosives or with impacts from guns. Optical wavelengths for the reflectance measurements ranged from 355 to 700 nm. We studied samples of tin, iron, gallium, and cerium as each passed through a phase transformation during shock loading and, if observable, a reversion upon unloading. In addition to metals with complicated phase diagrams, we also measured dynamic, pressure-induced changes in the reflectivity of aluminum. For rapid solid-solid phase changes in tin and iron, we saw small changes in the surface scattering characteristics, perhaps from voids or rough areas frozen into the surface of the sample as it transformed to a new crystal structure. For melt in gallium and cerium, we saw changes in the wavelength dependence of the reflectance, and we surmise that these changes may result from changes in the crystal electronic structure. It appears that reflectance measurements can be a significant part of a larger suite of diagnostics to search for difficult-to-detect phase transformations. (C) 2010 American Institute of Physics. [doi:10.1063/1.3430536] C1 [Stevens, G. D.; Turley, W. D.; Veeser, L. R.] Natl Secur Technol LLC, Special Technol Lab, Santa Barbara, CA 93111 USA. [Jensen, B. J.; Rigg, P. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Stevens, GD (reprint author), Natl Secur Technol LLC, Special Technol Lab, Santa Barbara, CA 93111 USA. EM stevengd@nv.doe.gov FU U.S. Department of Energy [DE-AC52-06NA25946] FX We are grateful to Bill Anderson, John Vorthman, and Rob Hixson from LANL for their technical inspiration, guidance, and review throughout this effort. We are indebted to Michael Grover from STL for preparing the samples and assembling and fielding nearly all of the experiments at the Santa Barbara explosive-containment "Boombox," and for his innumerable suggestions and improvements to the system. We thank Mark Byers, Jim Esparza, and Tim Pierce from LANL, DE-9, for operating the various gun facilities used in these experiments, and Darcie Dennis-Koller for supporting some experiments with VISAR. We thank Dennis Hayes, who gave us his three-phase WONDY EOS subroutines for tin and iron and answered our many questions on how to use and interpret them. We also thank the many people who helped with other phases of the experiment, including Guy Leach, Greg Macrum, and Adam Iverson from NSTec. This manuscript has been authored by National Security Technologies, LLC, under Contract No. DE-AC52-06NA25946 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 21 TC 3 Z9 3 U1 4 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2010 VL 81 IS 6 AR 065101 DI 10.1063/1.3430536 PG 12 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 628GG UT WOS:000280102200045 PM 20590263 ER PT J AU Woodruff, TR Krishnan, VB Clausen, B Sisneros, T Livescu, V Brown, DW Bourke, MAM Vaidyanathan, R AF Woodruff, T. R. Krishnan, V. B. Clausen, B. Sisneros, T. Livescu, V. Brown, D. W. Bourke, M. A. M. Vaidyanathan, R. TI Design, implementation, and testing of a cryogenic loading capability on an engineering neutron diffractometer SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB A novel capability was designed, implemented, and tested for in situ neutron diffraction measurements during loading at cryogenic temperatures on the spectrometer for materials research at temperature and stress at Los Alamos National Laboratory. This capability allowed for the application of dynamic compressive forces of up to 250 kN on standard samples controlled at temperatures between 300 and 90 K. The approach comprised of cooling thermally isolated compression platens that in turn conductively cooled the sample in an aluminum vacuum chamber which was nominally transparent to the incident and diffracted neutrons. The cooling/heat rate and final temperature were controlled by regulating the flow of liquid nitrogen in channels inside the platens that were connected through bellows to the mechanical actuator of the load frame and by heaters placed on the platens. Various performance parameters of this system are reported here. The system was used to investigate deformation in Ni-Ti-Fe shape memory alloys at cryogenic temperatures and preliminary results are presented. (C) 2010 American Institute of Physics. [doi:10.1063/1.3436637] C1 [Woodruff, T. R.; Krishnan, V. B.; Vaidyanathan, R.] Univ Cent Florida, AMPAC, Dept Mech Mat & Aerosp Engn, Orlando, FL 32816 USA. [Clausen, B.; Sisneros, T.; Livescu, V.; Brown, D. W.; Bourke, M. A. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Woodruff, TR (reprint author), Univ Cent Florida, AMPAC, Dept Mech Mat & Aerosp Engn, Orlando, FL 32816 USA. EM raj@mail.ucf.edu RI Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X FU Department of Energy's Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; SRI, NASA [NAG3-2751]; NSF [CAREER DMR-0239512] FX This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Department of Energy's Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract No. DE-AC52-06NA25396. Financial support from SRI, NASA (Grant No. NAG3-2751), and NSF (Grant No. CAREER DMR-0239512) is gratefully acknowledged. The authors are grateful to C. R. Rathod and S. B. Shmalo (University of Central Florida) for valuable experimental assistance. NR 10 TC 4 Z9 4 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2010 VL 81 IS 6 AR 063903 DI 10.1063/1.3436637 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 628GG UT WOS:000280102200030 PM 20590248 ER PT J AU Whitford, PC Geggier, P Altman, RB Blanchard, SC Onuchic, JN Sanbonmatsu, KY AF Whitford, Paul C. Geggier, Peter Altman, Roger B. Blanchard, Scott C. Onuchic, Jose N. Sanbonmatsu, Karissa Y. TI Accommodation of aminoacyl-tRNA into the ribosome involves reversible excursions along multiple pathways SO RNA-A PUBLICATION OF THE RNA SOCIETY LA English DT Article DE energy landscape; ribosome; accommodation; all-atom simulation; tRNA selection ID MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURE; ANGSTROM RESOLUTION; 70S RIBOSOME; HYBRID STATE; EF-TU; MODEL; SIMULATION; PROTEINS; SUBUNIT AB The ribosome is a massive ribonucleoprotein complex (similar to 2.4 MDa) that utilizes large-scale structural fluctuations to produce unidirectional protein synthesis. Accommodation is a key conformational change during transfer RNA (tRNA) selection that allows movement of tRNA into the ribosome. Here, we address the structure-function relationship that governs accommodation using all-atom molecular simulations and single-molecule fluorescence resonance energy transfer (smFRET). Simulations that employ an all-atom, structure-based (G (o) over bar -like) model illuminate the interplay between configurational entropy and effective enthalpy during the accommodation process. This delicate balance leads to spontaneous reversible accommodation attempts, which are corroborated by smFRET measurements. The dynamics about the endpoints of accommodation (the A/T and A/A conformations) obtained from structure-based simulations are validated by multiple 100-200 ns explicit-solvent simulations (3.2 million atoms for a cumulative 1.4 mu s), and previous crystallographic analysis. We find that the configurational entropy of the 3'-CCA end of aminoacyl-tRNA resists accommodation, leading to a multistep accommodation process that encompasses a distribution of parallel pathways. The calculated mechanism is robust across simulation methods and protocols, suggesting that the structure of the accommodation corridor imposes stringent limitations on the accessible pathways. The identified mechanism and observed parallel pathways establish an atomistic framework for interpreting a large body of biochemical data and demonstrate that conformational changes during translation occur through a stochastic trial-and-error process, rather than in concerted lock-step motions. C1 [Whitford, Paul C.; Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Whitford, Paul C.; Onuchic, Jose N.] Univ Calif San Diego, Ctr Theoret Biol Phys, La Jolla, CA 92093 USA. [Whitford, Paul C.; Onuchic, Jose N.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Geggier, Peter; Altman, Roger B.; Blanchard, Scott C.] Weill Cornell Med Coll, Dept Physiol & Biophys, New York, NY 10021 USA. RP Sanbonmatsu, KY (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM kys@lanl.gov RI Blanchard, Scott/A-5804-2009; OI Whitford, Paul/0000-0001-7104-2265 FU NSF [PHY-0822283, NSF-MCB-0543906, 0644129]; LANL LDRD program; NIH [R01-GM072686]; National Institute of General Medical Sciences [5R01GM079238-03] FX P.C.W. thanks Dr. Changbong Hyeon and Jeffrey Noel for discussions regarding RNA simulations and all-atom modeling, as well as Haripriya Ramu and Dr. Alexander Mankin for discussion regarding ribosome stalling. We thank Yanan Yu for porting TMD into Gromacs. We acknowledge all members of the Blanchard laboratory and the Onuchic group for feedback throughout the course of this study and during manuscript preparation. K.Y.S. is grateful to M. Sheats, C. Ahrens, M. Vernon, B. Bergen, M. Perks, and S. Swaminarayan for cell processor code development. This work was supported by the Center for Theoretical Biological Physics, sponsored by the NSF (Grant PHY-0822283), with additional support from NSF-MCB-0543906, the LANL LDRD program, NIH Grant R01-GM072686, National Institute of General Medical Sciences Grant 5R01GM079238-03, and NSF Career Award 0644129. We also thank the New Mexico Computing Applications Center for computing time on the Encanto Supercomputer and Los Alamos National Laboratory for computing time on the Roadrunner Supercomputer. NR 54 TC 98 Z9 99 U1 1 U2 20 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI WOODBURY PA 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2924 USA SN 1355-8382 J9 RNA JI RNA-Publ. RNA Soc. PD JUN PY 2010 VL 16 IS 6 BP 1196 EP 1204 DI 10.1261/rna.2035410 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 602GD UT WOS:000278125600012 PM 20427512 ER PT J AU Wiley, HS AF Wiley, H. Steven TI Think Outside the Bio-Box SO SCIENTIST LA English DT Editorial Material C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wiley, HS (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU SCIENTIST INC PI PHILADELPHIA PA 400 MARKET ST, STE 1250, PHILADELPHIA, PA 19106 USA SN 0890-3670 J9 SCIENTIST JI Scientist PD JUN PY 2010 VL 24 IS 6 BP 31 EP 31 PG 1 WC Information Science & Library Science; Multidisciplinary Sciences SC Information Science & Library Science; Science & Technology - Other Topics GA 601QT UT WOS:000278078800017 ER PT J AU Song, SX Wang, XL Nieh, TG AF Song, S. X. Wang, X. -L. Nieh, T. G. TI Capturing shear band propagation in a Zr-based metallic glass using a high-speed camera SO SCRIPTA MATERIALIA LA English DT Article DE Bulk metallic glass; Shear bands; Image analysis; Plastic deformation ID PLASTIC-FLOW; COMPRESSION; TEMPERATURE; STRAIN AB With the help of a high-speed camera, shear band propagation in a Zr-based metallic glass during compression was captured and images were analyzed using a digital image correlation method. The shear velocity was calculated and further compared with that measured from using strain gages. The images also showed that localized shear occurs in a simultaneous fashion, i.e. shear band operates simultaneously across the entire shear plane, rather than in a progressive manner. C1 [Song, S. X.; Nieh, T. G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Wang, X. -L.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37931 USA. RP Song, SX (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ssong1@utk.edu RI Wang, Xun-Li/C-9636-2010; Song, Shuangxi/E-4259-2012; Nieh, Tai-Gang/G-5912-2011 OI Wang, Xun-Li/0000-0003-4060-8777; Nieh, Tai-Gang/0000-0002-2814-3746 FU Joint Institute of Advanced Materials; University of Tennessee; Laboratory Directed Research and Development; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was sponsored by the Joint Institute of Advanced Materials, University of Tennessee, and the Laboratory Directed Research and Development Program at Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 17 TC 50 Z9 50 U1 3 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD JUN PY 2010 VL 62 IS 11 BP 847 EP 850 DI 10.1016/j.scriptamat.2010.02.017 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 588XY UT WOS:000277109200008 ER PT J AU King, AH AF King, Alexander H. TI Triple lines in materials science and engineering SO SCRIPTA MATERIALIA LA English DT Article DE Triple line; Grain boundary; Surface; Energy ID SILICON-NITRIDE CERAMICS; TILT GRAIN-BOUNDARIES; THIN-FILMS; JUNCTION ENERGY; INFILTRATION; NUCLEATION; DIFFUSION; SURFACES; ALLOYS; GROWTH AB We assess the impact of triple lines in materials preparation and use by considering several examples of materials behavior in which they have identifiable effects. The microstructural roles of triple lines are also considered and some persistent scientific questions are raised. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Ames Lab, Ames, IA 50011 USA. RP King, AH (reprint author), Ames Lab, Ames, IA 50011 USA. EM alexking@ameslab.gov RI King, Alexander/B-3148-2012; King, Alexander/P-6497-2015 OI King, Alexander/0000-0001-9677-3769; King, Alexander/0000-0001-7101-6585 FU Ames Laboratory; U.S. Department of Energy [DE-AC02-07CH11358] FX The author acknowledges the support of the Ames Laboratory, which is operated by Iowa State University of Science and Technology for the U.S. Department of Energy under contract No. DE-AC02-07CH11358. NR 39 TC 21 Z9 21 U1 4 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD JUN PY 2010 VL 62 IS 12 BP 889 EP 893 DI 10.1016/j.scriptamat.2010.02.020 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 598EH UT WOS:000277815500002 ER PT J AU Saiz, E Benhassine, M De Coninck, J Tomsia, AP AF Saiz, E. Benhassine, M. De Coninck, J. Tomsia, A. P. TI Early stages of dissolutive spreading SO SCRIPTA MATERIALIA LA English DT Article DE Liquids; Metals; Wetting; Capillary phenomena; Molecular dynamics ID MOLECULAR-DYNAMICS; HIGH-TEMPERATURE; SURFACE-TENSION; LIQUID; INTERFACE; METALS; KINETICS; FILMS; AG; CU AB The initial instants of spreading in high-temperature dissolutive systems (Cu and Au on Ni) are recorded using high-speed video and a drop transfer set-up. The results suggest the existence of an initial regime where the advance of the triple junction is too fast compared with dissolution and spreading occurs on a flat unreacted surface. The analysis indicates that spreading is then controlled by the triple-line friction. The calculated friction coefficients are similar to those for non-reactive high-temperature systems. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Saiz, E.] Univ London Imperial Coll Sci Technol & Med, Dept Mat, UK Ctr Struct Ceram, London, England. [Saiz, E.] Univ London Imperial Coll Sci Technol & Med, Dept Mech Engn, London, England. [Benhassine, M.; De Coninck, J.] Univ Mons Hainaut, Ctr Res Mol Modelling, B-7000 Mons, Belgium. [Tomsia, A. P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Saiz, E (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Mat, UK Ctr Struct Ceram, London, England. EM esaiz@lbl.gov FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; UK Center for Advanced Structural Ceramics; FRIA (Belgium) 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. E.S. acknowledges the support of the UK Center for Advanced Structural Ceramics. M.B. acknowledges FRIA (Belgium) for economic support. NR 30 TC 13 Z9 13 U1 0 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD JUN PY 2010 VL 62 IS 12 BP 934 EP 938 DI 10.1016/j.scriptamat.2010.02.046 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 598EH UT WOS:000277815500011 ER PT J AU Leite, GC Ushizima, DM Medeiros, FNS de Lima, GG AF Leite, Gladeston C. Ushizima, Daniela M. Medeiros, Fatima N. S. de Lima, Gilson G. TI Wavelet Analysis for Wind Fields Estimation SO SENSORS LA English DT Article DE SAR; wind direction; FFT; CMOD4; wind speed ID SYNTHETIC-APERTURE RADAR; OIL-SPILL DETECTION; SAR IMAGES; DIRECTION; VECTOR; SEA; ALGORITHMS; EXTRACTION; RETRIEVAL; TRANSFORM AB Wind field analysis from synthetic aperture radar images allows the estimation of wind direction and speed based on image descriptors. In this paper, we propose a frame work to automate wind direction retrieval based on wavelet decomposition associated with spectral processing. We extend existing undecimated wavelet transform approaches, by including a trous with B(3) spline scaling function, in addition to other wavelet bases as Gabor and Mexican-hat. The purpose is to extract more reliable directional information, when wind speed values range from 5 to 10 ms(-1). Using C-band empirical models, associated with the estimated directional information, we calculate local wind speed values and compare our results with QuikSCAT scatterometer data. The proposed approach has potential application in the evaluation of oil spills and wind farms. C1 [Leite, Gladeston C.; Medeiros, Fatima N. S.] Univ Fed Ceara, Teleinformat Engn Dept, BR-60455970 Fortaleza, Ceara, Brazil. [Ushizima, Daniela M.] Lawrence Berkeley Natl Lab LNBL, Math Grp, Berkeley, CA 94117 USA. [Ushizima, Daniela M.] Lawrence Berkeley Natl Lab LNBL, Visualizat Grp, Berkeley, CA 94117 USA. [de Lima, Gilson G.] Brown Univ, Div Engn, Providence, RI 02912 USA. RP Ushizima, DM (reprint author), Lawrence Berkeley Natl Lab LNBL, Math Grp, Berkeley, CA 94117 USA. EM matfecli@uece.br; dushizima@lbl.gov; fsombra@ufc.br; Gilson_Goncalves_DeLima@brown.edu RI Medeiros, Fatima/E-1168-2011; Leite, Gladeston/G-7811-2012 OI Medeiros, Fatima/0000-0002-4143-1486; FU Office of Energy Research, U.S. Department of Energy [DE-AC03-76SF00098]; Office of Science, Advanced Scientific Computing Research, U.S. Department of Energy [DE-AC02-05CH112]; FUNCAP; CNPq FX We acknowledge Venerando Eustaquio Amaro from the Geology Department and Geoprocessing Laboratory at Federal University of Ri oGrandedo Norte, Brazil, for providing SAR images and climate descriptions of the area. We are grateful to the Brazilian agencies FUNCAP and CNPq for the financial support. This work was partially supported by the Applied Mathematical Science subprogram of the Office of Energy Research, U.S. Department of Energy, under Contract No. DE-AC03-76SF00098 and by the Director, Office of Science, Advanced Scientific Computing Research, U.S. Department of Energy under Contract No.DE-AC02-05CH112 NR 39 TC 8 Z9 10 U1 0 U2 7 PU MOLECULAR DIVERSITY PRESERVATION INTERNATIONAL-MDPI PI BASEL PA KANDERERSTRASSE 25, CH-4057 BASEL, SWITZERLAND SN 1424-8220 J9 SENSORS-BASEL JI Sensors PD JUN PY 2010 VL 10 IS 6 BP 5994 EP 6016 DI 10.3390/s100605994 PG 23 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA 616IJ UT WOS:000279202100038 PM 22219699 ER PT J AU Liang, C Balser, TC AF Liang, Chao Balser, Teri C. TI Mass spectrometric characterization of amino sugar aldononitrile acetate derivatives used for isotope enrichment assessment of microbial residues SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE Glucosamine; Muramic acid; Microbial biomarker; Stable isotope; Isotopic enrichment; GC/MS analysis ID MURAMIC ACID; SOIL; BACTERIAL; TRANSFORMATION; SEQUESTRATION; DECOMPOSITION; BIOMARKERS; HYDROGEN; ECOLOGY; CARBON AB Identifying the transformation of amino sugars in soils is essential in understanding microbial contribution to soil organic matter turnover and sequestration. Using a recently developed method, combining gas chromatograph/mass spectrometry (GC/MS) with laboratory incubation of substrates containing (13)C or (15)N isotopes, we were able to trace isotopic changes in amino sugar compounds. This allows us to quantitatively evaluate C or N enrichment in amino sugars during transformation in soils using the fragment (F) abundance ratio of m/z F + n to F(n is original skeleton atom number in each fragment). However, there is still lack of detail structural and substitutional information for each ion fragment. In order to improve the interpretation and increase our ability to study amino sugar turnover, we grew labeled amino sugars in lab-cultured organisms. We spectrometrically investigated the ion structures and original skeleton C number (mass shift n) in major ion fragments based on applying multiple representative isotope labels. Our results categorically confirm that previously made assumptions were correct regarding the substitutional number "n" of the glucosamine (He et al., 2006). Our study also added valuable structural information for aldononitrile acetate derivatized glucosamine and muramic acid upon electron impact ionization in MS. Published by Elsevier Ltd. C1 [Liang, Chao; Balser, Teri C.] Univ Wisconsin, Dept Soil Sci, Madison, WI 53706 USA. [Liang, Chao] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. RP Liang, C (reprint author), Univ Wisconsin, Dept Soil Sci, 263 Soils Bldg,1525 Observ Dr, Madison, WI 53706 USA. EM chaoliang@wisc.edu RI Liang, Chao/A-5929-2009 FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494] FX This work was financially supported by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494). We would like to thank Dr. Harry W. Read for the technical assistance, Drs. Hongbo He and Xudong Zhang for useful discussions, and Dr. Kennedy F. Rubert IV for preparation of the isotopically-labeled microbial products. NR 30 TC 6 Z9 7 U1 2 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD JUN PY 2010 VL 42 IS 6 BP 904 EP 909 DI 10.1016/j.soilbio.2010.02.006 PG 6 WC Soil Science SC Agriculture GA 598EA UT WOS:000277814700005 ER PT J AU Levinson, R Akbari, H Berdahl, P Wood, K Skilton, W Petersheim, J AF Levinson, Ronnen Akbari, Hashem Berdahl, Paul Wood, Kurt Skilton, Wayne Petersheim, Jerry TI A novel technique for the production of cool colored concrete tile and asphalt shingle roofing products SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Cool colored roof; Asphalt shingle; Concrete tile; Solar reflectance; Surface roughness; Polyvinylidene fluoride ID SPECTRAL OPTICAL-PROPERTIES; SOLAR REFLECTANCE; PIGMENTS AB The widespread use of solar-reflective roofing materials can save energy, mitigate urban heat islands and slow global warming by cooling the roughly 20% of the urban surface that is roofed. In this study we created prototype solar-reflective nonwhite concrete tile and asphalt shingle roofing materials using a two-layer spray coating process intended to maximize both solar reflectance and factory-line throughput. Each layer is a thin, quick-drying, pigmented latex paint based on either acrylic or a poly(vinylidene fluoride)/acrylic blend. The first layer is a titanium dioxide rutile white basecoat that increases the solar reflectance of a gray-cement concrete tile from 0.18 to 0.79, and that of a shingle surfaced with bare granules from 0.06 to 0.62. The second layer is a "cool" color topcoat with weak near-infrared (NIR) absorption and/or strong NIR backscattering. Each layer dries within seconds, potentially allowing a factory line to pass first under the white spray, then under the color spray. We combined a white basecoat with monocolor topcoats in various shades of red, brown, green and blue to prepare 24 cool colored prototype tiles and 24 cool colored prototypes shingles. The solar reflectances of the tiles ranged from 0.26 (dark brown; CIELAB lightness value L*=29) to 0.57 (light green; L*=76); those of the shingles ranged from 0.18 (dark brown; L*=26) to 0.34 (light green; L*=68). Over half of the tiles had a solar reflectance of at least 0.40, and over half of the shingles had a solar reflectance of at least 0.25. (C) 2009 Elsevier B.V. All rights reserved. C1 [Levinson, Ronnen; Akbari, Hashem; Berdahl, Paul] Lawrence Berkeley Natl Lab, Heat Isl Grp, Berkeley, CA 94720 USA. [Wood, Kurt; Skilton, Wayne; Petersheim, Jerry] Arkema Inc, Philadelphia, PA USA. RP Levinson, R (reprint author), Lawrence Berkeley Natl Lab, Heat Isl Grp, Berkeley, CA 94720 USA. EM RML27@cornell.edu RI liu, ze/A-2322-2010 FU California Energy Commission (CEC); Assistant Secretary for Renewable Energy [DE-AC03-76SF00098] FX This work was supported by the California Energy Commission (CEC) through its Public Interest Energy Research (PIER) program and by the Assistant Secretary for Renewable Energy under Contract no. DE-AC03-76SF00098. The authors wish to thank CEC Commissioner Arthur Rosenfeld and PIER manager Chris Scruton for their support and advice. We also wish to thank Greg Peterson and Charles Schneider of Eagle Roofing Products for providing concrete tiles, and Lou Hahn of GAF-Elk for providing asphalt shingles. NR 18 TC 48 Z9 49 U1 0 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD JUN PY 2010 VL 94 IS 6 BP 946 EP 954 DI 10.1016/j.solmat.2009.12.012 PG 9 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 603KA UT WOS:000278206300003 ER PT J AU Donnelly, EH Nemhauser, JB Smith, JM Kazzi, ZN Farfan, EB Chang, AS Naeem, SF AF Donnelly, Elizabeth H. Nemhauser, Jeffrey B. Smith, James M. Kazzi, Ziad N. Farfan, Eduardo B. Chang, Arthur S. Naeem, Syed F. TI Acute Radiation Syndrome: Assessment and Management SO SOUTHERN MEDICAL JOURNAL LA English DT Article DE acute radiation syndrome; radiation health effects; radiation injury; radiological emergencies C1 [Kazzi, Ziad N.] Ctr Dis Control & Prevent, Natl Ctr Environm Hlth, Radiat Studies Branch, Atlanta, GA 30341 USA. Savannah River Natl Lab, Aiken, SC USA. Idaho State Univ, Pocatello, ID 83209 USA. RP Kazzi, ZN (reprint author), Ctr Dis Control & Prevent, Natl Ctr Environm Hlth, Radiat Studies Branch, 4770 Buford Highway,NE MS F58, Atlanta, GA 30341 USA. EM rsbinfo@cdc.gov OI Naeem, Syed/0000-0002-0429-2843 NR 14 TC 49 Z9 56 U1 2 U2 14 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0038-4348 J9 SOUTH MED J JI South.Med.J. PD JUN PY 2010 VL 103 IS 6 BP 541 EP 544 DI 10.1097/SMJ.0b013e3181ddd571 PG 4 WC Medicine, General & Internal SC General & Internal Medicine GA 604PA UT WOS:000278289800012 PM 20710137 ER PT J AU Han, J Papalambros, PY AF Han, Jeongwoo Papalambros, Panos Y. TI An SLP filter algorithm for probabilistic analytical target cascading SO STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION LA English DT Article; Proceedings Paper CT 7th World Congress of Structural and Multidisciplinary Optimization CY MAY 21-25, 2007-2008 CL Seoul, SOUTH KOREA DE Probabilistic analytical target cascading; Sequential linear programming; Complex system design under uncertainty; Suspension strategy ID DESIGN OPTIMIZATION; RELIABILITY; UNCERTAINTY; SYSTEMS AB Decision-making under uncertainty is particularly challenging in the case of multidisciplinary, multilevel system optimization problems. Subsystem interactions cause strong couplings, which may be amplified by uncertainty. Thus, effective coordination strategies can be particularly beneficial. Analytical target cascading (ATC) is a deterministic optimization method for multilevel hierarchical system design that has been extended to probabilistic formulations. Solving the probabilistic optimization problem requires propagation of uncertainty, namely, evaluating or estimating the output distributions, a task that is computationally expensive for highly nonlinear functions. This article presents the use of sequential linear programming (SLP) for probabilistic ATC. By linearizing and solving a problem successively, the strategy takes advantage of the simplicity and ease of uncertainty propagation for a linear system under the assumption that inputs are normally distributed or can be transformed into equivalent normal distributions. A suspension strategy, developed for a deterministic SLP coordination strategy for ATC, is applied to reduce computational cost by suspending the analyses of subsystems that do not need considerable redesign. The accuracy and effectiveness of the proposed coordination strategy is demonstrated with several numerical examples. C1 [Han, Jeongwoo] Argonne Natl Lab, Argonne, IL 60439 USA. [Papalambros, Panos Y.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48104 USA. RP Han, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave,Bldg 362, Argonne, IL 60439 USA. EM jhan@anl.gov NR 27 TC 6 Z9 6 U1 1 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1615-147X J9 STRUCT MULTIDISCIP O JI Struct. Multidiscip. Optim. PD JUN PY 2010 VL 41 IS 6 BP 935 EP 945 DI 10.1007/s00158-009-0450-9 PG 11 WC Computer Science, Interdisciplinary Applications; Engineering, Multidisciplinary; Mechanics SC Computer Science; Engineering; Mechanics GA 584SH UT WOS:000276772400008 ER PT J AU Martin, C Kim, H Gordon, RT Ni, N Thaler, A Kogan, VG Bud'ko, SL Canfield, PC Tanatar, MA Prozorov, R AF Martin, C. Kim, H. Gordon, R. T. Ni, N. Thaler, A. Kogan, V. G. Bud'ko, S. L. Canfield, P. C. Tanatar, M. A. Prozorov, R. TI The London penetration depth in BaFe2As2 superconductors at high electron doping level SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article AB We compare the temperature dependences of the in-plane London penetration depth (Delta lambda(ab)(T)) for several Ba(Fe1-xTMx)(2)As-2 (TM = Co, Ni, Pd, Co + Cu) superconductors at high concentration of electrons, ne, added per Fe site. We show that regardless of the transition metal TM, for n(e) >= 0.12, the penetration depth has a power-law temperature dependence Delta lambda(L)(T) proportional to T-n, but with the exponent n approximate to 1.65, thus significantly lower than the value n 2 >= previously reported for lower electron concentrations. On doping with electrons from the 3d shells, the magnitude of the variation with temperature of Delta lambda(L)(T) is larger for Ni substitution than for Co substitution, and larger for Co + Cu co-doping than for Ni co-doping. However, comparing the effect of 3d and 4d electrons, for the isovalent elements Ni and Pd respectively, we found that the rates of change in penetration depth with temperature are nearly identical for the two compounds. C1 [Martin, C.] Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. RP Martin, C (reprint author), Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. EM cmartin@phys.ufl.edu RI Prozorov, Ruslan/A-2487-2008; Canfield, Paul/H-2698-2014; Thaler, Alexander/J-5741-2014 OI Prozorov, Ruslan/0000-0002-8088-6096; Thaler, Alexander/0000-0001-5066-8904 FU Department of Energy-Office of Basic Energy Sciences [DE-AC02-07CH11358]; Alfred P Sloan Foundation FX We thank P Hirschfeld and J Schmallian for stimulating discussions. Work at the Ames Laboratory was supported by the Department of Energy-Office of Basic Energy Sciences under contract no. DE-AC02-07CH11358. MAT acknowledges continuing cross-appointment with the Institute of Surface Chemistry, National Ukrainian Academy of Sciences. RP acknowledges support from the Alfred P Sloan Foundation. NR 22 TC 4 Z9 4 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD JUN PY 2010 VL 23 IS 6 AR 065022 DI 10.1088/0953-2048/23/6/065022 PG 4 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 599MS UT WOS:000277917800022 ER PT J AU Ceccone, G Leung, BO Perez-Roldan, MJ Valsesia, A Colpo, P Rossi, F Hitchcock, AP Scholl, A AF Ceccone, G. Leung, B. O. Perez-Roldan, M. J. Valsesia, A. Colpo, P. Rossi, F. Hitchcock, A. P. Scholl, A. TI X-ray spectromicroscopy study of ubiquitin adsorption to plasma polymerized microstructures SO SURFACE AND INTERFACE ANALYSIS LA English DT Article; Proceedings Paper CT 13th European Conference on Applications of Surface and Interface Analysis CY OCT 18-23, 2009 CL Antalya, TURKEY DE X-PEEM; plasma polymerization; protein adsorption ID BIOMEDICAL APPLICATIONS; PROTEIN ADSORPTION; SURFACES; BIOMATERIALS; MICROSCOPY; FILMS; CELLS AB Synchrotron-based X-ray photoemission electron microscopy (X-PEEM), atomic force microscopy (AFM), time of flight secondary ion mass spectrometry (ToF-SIMS) and X-ray photoelectron spectroscopy (XPS) have been used to visualize and characterize plasma polymerized acrylic acid (ppAA) and poly ethylene oxide (PEO)-like microstructures. Micropatterned microstructures have been fabricated with electron-beam lithography to obtain contrasted ppAA/PEO-like structures. A surface area of 500 mu m x 500 mu m was patterned with arrays of 5 mu m diameter circles and 500 mu m x 5 mu m lines. Samples have been analyzed before and after immersion of ubiquitin protein solutions. AFM and X-PEEM results indicated that the protein adsorbed preferentially on the ppAA regions for both circular and line patterns. For both circular and line patterns, the protein preferentially adsorbed to the ppAA regions. Copyright (C) 2010 John Wiley & Sons, Ltd. C1 [Ceccone, G.; Perez-Roldan, M. J.; Valsesia, A.; Colpo, P.; Rossi, F.] EC JRC IHCP, Ispra, VA, Italy. [Leung, B. O.; Hitchcock, A. P.] McMaster Univ, BIMR, Hamilton, ON, Canada. [Scholl, A.] Lawrence Natl Lab, ALS, Berkeley, CA USA. RP Ceccone, G (reprint author), EC JRC IHCP, Via E Fermi 2749, Ispra, VA, Italy. EM giacomo.ceccone@jrc.ec.europa.eu RI Scholl, Andreas/K-4876-2012; Perez Roldan, Maria Jesus/C-3109-2017; OI Rossi, Francois/0000-0003-3090-1398 NR 27 TC 1 Z9 1 U1 1 U2 3 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0142-2421 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD JUN-JUL PY 2010 VL 42 IS 6-7 SI SI BP 830 EP 834 DI 10.1002/sia.3239 PG 5 WC Chemistry, Physical SC Chemistry GA 641SJ UT WOS:000281149700083 ER PT J AU Suzer, S Baer, DR Engelhard, MH AF Suzer, Sefik Baer, Donald R. Engelhard, Mark H. TI Analysis of Fe nanoparticles using XPS measurements under d.c. or pulsed-voltage bias SO SURFACE AND INTERFACE ANALYSIS LA English DT Article; Proceedings Paper CT 13th European Conference on Applications of Surface and Interface Analysis CY OCT 18-23, 2009 CL Antalya, TURKEY DE Fe nanoparticles; casting from different solvents; XPS; charging shifts ID RAY PHOTOELECTRON-SPECTROSCOPY; ORGANIC MONOLAYERS; IRON NANOPARTICLES; FILMS AB The impact of solution exposure on the charging properties of oxide coatings on Fe metal-core oxide-shell nanoparticles has been examined by sample biasing during XPS measurements. The Fe nanoparticles were suspended in relatively unreactive acetone and analyzed after particles containing solutions were deposited on SiO(2)/Si or Au substrates. The particle and substrate combinations were subjected to +/- 10V d.c. or +/- 5V a.c., biasing in the form of square wave (SQW) pulses. The samples experienced variable degrees of charging for which low-energy electrons at similar to 1 eV, 20 mu A and low-energy Ar(+) ions were used to minimize it. Application of d.c. bias and/or SQW pulses significantly influences the extent of charging, which is utilized to gather additional analytical information about the sample under investigation. This approach allows separation of otherwise overlapping peaks. Accordingly, the O1s peaks of the silicon oxide substrate, the iron oxide nanoparticles, and that of the casting solvent can be separated from each other. Similarly, the C1s peak belonging to the solvent can be separated from that of the adventitious carbon. The charging shifts of the iron nanoparticles are strongly influenced by the solvent to which the particles were exposed. Hence, acetone exhibited the largest shift, water the smallest, and methanol in between. Dynamical measurements performed by application of the voltage stress in the form of SQW pulses provides information about the time constants of the processes involved, which leads us to postulate that these charging properties we probe in these systems stem mainly from ionic movement(s). Copyright (C) 2010 John Wiley & Sons, Ltd. C1 [Suzer, Sefik] Bilkent Univ, Dept Chem, TR-06800 Ankara, Turkey. [Baer, Donald R.; Engelhard, Mark H.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Suzer, S (reprint author), Bilkent Univ, Dept Chem, TR-06800 Ankara, Turkey. EM suzer@fen.bilkent.edu.tr RI Engelhard, Mark/F-1317-2010; Baer, Donald/J-6191-2013; OI Baer, Donald/0000-0003-0875-5961; Engelhard, Mark/0000-0002-5543-0812 NR 20 TC 2 Z9 2 U1 3 U2 22 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0142-2421 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD JUN-JUL PY 2010 VL 42 IS 6-7 SI SI BP 859 EP 862 DI 10.1002/sia.3260 PG 4 WC Chemistry, Physical SC Chemistry GA 641SJ UT WOS:000281149700089 ER PT J AU Lea, AS Swanson, KR Haack, JN Castle, JE Tougaard, S Baer, DR AF Lea, A. S. Swanson, K. R. Haack, J. N. Castle, J. E. Tougaard, S. Baer, D. R. TI An application for near-real-time analysis of XPS data SO SURFACE AND INTERFACE ANALYSIS LA English DT Article; Proceedings Paper CT 13th European Conference on Applications of Surface and Interface Analysis CY OCT 18-23, 2009 CL Antalya, TURKEY DE x-ray photoelectron spectroscopy; expert systems; real-time analysis ID EXPERT-SYSTEM; CONTAMINATION; ATOMS AB A platform-independent application for the analysis of XPS data has been developed with the goal of providing rapid data processing of survey spectra at a more sophisticated level than is typically performed. This application uses an expert systems approach to invoke a set of rules that are applied to the data. The application then uses simple, automated data analysis calculations to generate information on the thickness of any carbon contamination layer, atomic composition corrected for carbon contamination, and segregation (layering) information as soon as the data are collected. Batch processing and automated report generation are features incorporated into this application that would also improve the throughput for data analysis, resulting in substantial labor reduction and cost savings. Copyright (C) 2010 John Wiley & Sons, Ltd. C1 [Lea, A. S.; Swanson, K. R.; Baer, D. R.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Haack, J. N.] Pacific NW Natl Lab, Natl Secur Directorate, Richland, WA 99352 USA. [Castle, J. E.] Univ Surrey, Sch Engn, Fac Engn & Phys Sci, Guildford GU2 7XH, Surrey, England. [Tougaard, S.] Univ So Denmark, Inst Chem & Phys, Dept Chem & Phys, DK-5230 Odense M, Denmark. RP Lea, AS (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM scott.lea@pnl.gov RI Baer, Donald/J-6191-2013; OI Baer, Donald/0000-0003-0875-5961; Lea, Alan/0000-0002-4232-1553 NR 10 TC 2 Z9 2 U1 0 U2 6 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0142-2421 J9 SURF INTERFACE ANAL JI Surf. Interface Anal. PD JUN-JUL PY 2010 VL 42 IS 6-7 SI SI BP 1061 EP 1065 DI 10.1002/sia.3304 PG 5 WC Chemistry, Physical SC Chemistry GA 641SJ UT WOS:000281149700131 ER PT J AU Bai, ZJ Chu, EKW Lin, WW Wang, CS Yang, C AF Bai, Zhaojun Chu, Eric King-wah Lin, Wen-Wei Wang, Chern-Shuh Yang, Chao TI Recent Advances in Numerical Methods for Eigenvalue Problems Preface SO TAIWANESE JOURNAL OF MATHEMATICS LA English DT Editorial Material C1 [Bai, Zhaojun] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. [Bai, Zhaojun] Univ Calif Davis, Dept Math, Davis, CA 95616 USA. [Chu, Eric King-wah] Monash Univ, Sch Math Sci, Clayton, Vic 3800, Australia. [Lin, Wen-Wei] Natl Chiao Tung Univ, Dept Appl Math, Hsinchu 300, Taiwan. [Wang, Chern-Shuh] Natl Cheng Kung Univ, Dept Math, Tainan 701, Taiwan. [Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Bai, ZJ (reprint author), Univ Calif Davis, Dept Comp Sci, 1 Shields Ave, Davis, CA 95616 USA. EM bai@cs.ucdavis.edu; eric.chu@sci.monash.edu.au; wwlin@math.nctu.edu.tw; cswang@math.ncku.edu.tw; CYang@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 12 PU MATHEMATICAL SOC REP CHINA PI HSINCHU PA NATL CHIAO TUNG UNIV, DEPT APPLIED MATHEMATICS,, HSINCHU, TAIWAN SN 1027-5487 J9 TAIWAN J MATH JI Taiwan. J. Math. PD JUN PY 2010 VL 14 IS 3A SI SI PG 2 WC Mathematics SC Mathematics GA 612EU UT WOS:000278880400001 ER PT J AU Martin, MC Schade, U Lerch, P Dumas, P AF Martin, Michael C. Schade, Ulrich Lerch, Philippe Dumas, Paul TI Recent applications and current trends in analytical chemistry using synchrotron-based Fourier-transform infrared microspectroscopy SO TRAC-TRENDS IN ANALYTICAL CHEMISTRY LA English DT Review DE Cultural heritage; Earth science; Fourier-transform infrared (FTIR); High pressure; Microspectroscopy; Polymer science; Space science; Synchrotron; X-ray; Vibrational linear dichroism ID BIOMEDICAL APPLICATIONS; FTIR SPECTROMICROSCOPY; IR MICROSPECTROSCOPY; RESOLUTION LIMITS; CHEMICAL-ANALYSIS; RADIATION; MICROSCOPY; SPECTROSCOPY; LIGHT; SR AB Synchrotron radiation based Fourier-transform infrared (SR-FTIR) microspectroscopy is an emerging technique, which is increasingly employed in analytical sciences. This technique combines FTIR spectroscopy (namely specific identification of molecular groups within a variety of environments: organic/inorganic, crystallized/amorphous, solid/liquid/gas) with high brightness, and therefore small spot size and faster acquisition of high-quality spectral imaging data from a synchrotron light source. In this article, we review several recent applications of SR-FTIR that have led to much of the improved analytical capabilities. Performing analytical science at large-scale facilities allows one to access state-of-the-art equipment and capabilities, receive expert assistance from the facility staff, and have the possibility of combining SR-FTIR microscopy with other synchrotron-based X-ray microimaging techniques. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Lerch, Philippe] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Martin, Michael C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. [Schade, Ulrich] Helmholtz Zentrum Berlin, BESSY 2, D-12489 Berlin, Germany. [Dumas, Paul] Synchrotron SOLEIL, Lorme Merisiers, St Aubin BP48, F-91192 Gif Sur Yvette, France. RP Lerch, P (reprint author), Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. EM philippe.lerch@psi.ch RI Schade, Ulrich/D-9341-2013 FU Office of Science, Office of Basic Energy Sciences, US Department of Energy [DE-AC02-05CH11231] FX The authors are grateful to F. Jamme and C. Sandt (SOLEIL), M. Cotte and J. Susni (ESRF), G.L. Carr and L.M. Miller (NSLS), G.P. Williams (Jefferson Labs), H.-Y. Holman and W.R. McKinney (LBNL) for their long-term collaborations and fruitful discussions. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, US Department of Energy under Contract No. DE-AC02-05CH11231. NR 85 TC 29 Z9 29 U1 2 U2 37 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0165-9936 J9 TRAC-TREND ANAL CHEM JI Trac-Trends Anal. Chem. PD JUN PY 2010 VL 29 IS 6 SI SI BP 453 EP 463 DI 10.1016/j.trac.2010.03.002 PG 11 WC Chemistry, Analytical SC Chemistry GA 616UG UT WOS:000279235000013 ER PT J AU Marcus, MA AF Marcus, Matthew A. TI X-ray photon-in/photon-out methods for chemical imaging SO TRAC-TRENDS IN ANALYTICAL CHEMISTRY LA English DT Review DE Chemical imaging; Data analysis; Element-selective; Microprobe; NEXAFS; Microdiffraction; Non-destructive; Valence-state imaging; XANES; X-ray fluorescence ID FLUORESCENCE MICROPROBE; DIFFRACTION TOMOGRAPHY; SELENIUM SPECIATION; TRACE-ELEMENTS; ABSORPTION; RESOLUTION; PLANTS; XANES; SPECTROMICROSCOPY; QUANTIFICATION AB Most interesting materials in nature are heterogeneous, so it is useful to have analytical techniques with spatial resolution sufficient to resolve these heterogeneities. This article presents the basics of X-ray photon-in/photon-out chemical imaging. This family of methods allows one to derive images reflecting the chemical state of a given element in a complex sample, at micron or deep sub-micron scale. X-ray chemical imaging is relatively non-destructive and element-selective, and requires minimal sample preparation. The article presents the basic concepts and some considerations of data taking and data analysis, along with some examples. Published by Elsevier Ltd. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Marcus, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mamarcus@lbl.gov FU Office of Science, Office of Basic Energy Sciences, US Department of Energy [DE-AC02-05CH11231] FX The operations of the Advanced Light Source at Lawrence Berkeley National Laboratory are supported by the Director, Office of Science, Office of Basic Energy Sciences, US Department of Energy under contract number DE-AC02-05CH11231. The author acknowledges the help of Ryan Ogliore, Sirine C. Fakra, Maria Chrysochoou and Brandy Toner for providing the raw material for the figures. NR 47 TC 20 Z9 20 U1 0 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0165-9936 J9 TRAC-TREND ANAL CHEM JI Trac-Trends Anal. Chem. PD JUN PY 2010 VL 29 IS 6 SI SI BP 508 EP 517 DI 10.1016/j.trac.2010.02.013 PG 10 WC Chemistry, Analytical SC Chemistry GA 616UG UT WOS:000279235000017 ER PT J AU Wang, DJ Bodovitz, S AF Wang, Daojing Bodovitz, Steven TI Single cell analysis: the new frontier in 'omics' SO TRENDS IN BIOTECHNOLOGY LA English DT Review ID STOCHASTIC GENE-EXPRESSION; MASS-SPECTROMETRY; MICROFLUIDIC DEVICES; PROTEOMIC ANALYSIS; PANCREATIC-ISLETS; PICOLITER-VOLUME; CANCER-CELLS; STEM-CELLS; RNA-SEQ; DNA AB Cellular heterogeneity that arises from stochastic expression of genes, proteins and metabolites is a fundamental principle of cell biology, but single cell analysis has been beyond the capability of 'omics' technology. This is rapidly changing with the recent examples of single cell genomics, transcriptomics, proteomics and metabolomics. The rate of change is expected to accelerate owing to emerging technologies that range from micro/nanofluidics to microfabricated interfaces for mass spectrometry to third- and fourth-generation automated DNA sequencers. As described in this review, single cell analysis is the new frontier in omics, and single cell omics has the potential to transform systems biology through new discoveries derived from cellular heterogeneity. C1 [Wang, Daojing] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Bodovitz, Steven] BioPerspectives, San Francisco, CA USA. RP Wang, DJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM djwang@lbl.gov FU National Institutes of Health (NIH) [R21GM077870]; US Department of Energy (DOE) [DE-AC02-05CH11231]; National Aeronautics and Space Administration (NASA); California Breast Cancer Research Program (CBCRP); Lawrence Berkeley National Laboratory (LBNL) FX D.W. acknowledges the funding supports from the National Institutes of Health (NIH R21GM077870), the US Department of Energy (DOE DE-AC02-05CH11231), the National Aeronautics and Space Administration (NASA), the California Breast Cancer Research Program (CBCRP), and the Lawrence Berkeley National Laboratory (LBNL Discovery LDRD). The opinions in this review are those of the authors and do not necessarily represent the official positions or policies of the above-mentioned funding agencies. S.B. discloses that he is the Principal of BioPerspectives. NR 66 TC 240 Z9 244 U1 29 U2 264 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0167-7799 J9 TRENDS BIOTECHNOL JI Trends Biotechnol. PD JUN PY 2010 VL 28 IS 6 BP 281 EP 290 DI 10.1016/j.tibtech.2010.03.002 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 612ZX UT WOS:000278946500001 PM 20434785 ER PT J AU Tromp, RM Hannon, JB Ellis, AW Wan, W Berghaus, A Schaff, O AF Tromp, R. M. Hannon, J. B. Ellis, A. W. Wan, W. Berghaus, A. Schaff, O. TI A new aberration-corrected, energy-filtered LEEM/PEEM instrument. I. Principles and design SO ULTRAMICROSCOPY LA English DT Article DE Low energy electron microscopy; Photo electron emission microscopy; Aberration correction; Resolution ID ELECTRON-MICROSCOPE; CHROMATIC ABERRATION; MIRROR; SIMULATION; OPTICS AB We describe a new design for an aberration-corrected low energy electron microscope (LEEM) and photo electron emission microscope (PEEM), equipped with an in-line electron energy filter. The chromatic and spherical aberrations of the objective lens are corrected with an electrostatic electron mirror that provides independent control over the chromatic and spherical aberration coefficients C(c) and C(3), as well as the mirror focal length, to match and correct the aberrations of the objective lens. For LEEM (PEEM) the theoretical resolution is calculated to be similar to 1.5 nm (similar to 4 nm). Unlike previous designs, this instrument makes use of two magnetic prism arrays to guide the electron beam from the sample to the electron mirror, removing chromatic dispersion in front of the mirror by symmetry. The aberration correction optics was retrofitted to an uncorrected instrument with a base resolution of 4.1 nm in LEEM. Initial results in LEEM show an improvement in resolution to similar to 2 nm. (C) 2010 Elsevier B.V. All rights reserved. C1 [Tromp, R. M.; Hannon, J. B.; Ellis, A. W.] IBM TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Wan, W.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Berghaus, A.; Schaff, O.] SPECS GmbH, D-13355 Berlin, Germany. RP Tromp, RM (reprint author), IBM TJ Watson Res Ctr, 1101 Kitchawan Rd,POB 218, Yorktown Hts, NY 10598 USA. EM rtromp@us.ibm.com NR 27 TC 72 Z9 72 U1 1 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD JUN PY 2010 VL 110 IS 7 BP 852 EP 861 DI 10.1016/j.ultramic.2010.03.005 PG 10 WC Microscopy SC Microscopy GA 627PA UT WOS:000280050900019 PM 20395048 ER PT J AU Lupini, AR Wang, P Nellist, PD Kirkland, AI Pennycook, SJ AF Lupini, A. R. Wang, P. Nellist, P. D. Kirkland, A. I. Pennycook, S. J. TI Aberration measurement using the Ronchigram contrast transfer function SO ULTRAMICROSCOPY LA English DT Article DE Aberration measurement; Aberration correction; Ronchigram; Inline hologram; Contrast transfer function; STEM; TEM ID TRANSMISSION ELECTRON-MICROSCOPY; HIGH-RESOLUTION TEM; INFORMATION LIMIT; ILLUMINATION; COHERENCE AB The bright field contrast transfer function is one of the most useful concepts in conventional transmission electron microscopy. However, the electron Ronchigram contrast transfer function, as derived by Cowley, is inherently more complicated since it is not isoplanatic. Here, we derive a local contrast transfer function for small patches in a Ronchigram and demonstrate its utility for the direct measurement of aberrations from single Ronchigrams of an amorphous film. We describe the measurement of aberrations from both simulated and experimental images and elucidate the effects due to higher-order aberrations, separating those arising from the pre- and post-sample optics, and partial coherence. Published by Elsevier B.V. C1 [Lupini, A. R.; Pennycook, S. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Wang, P.; Nellist, P. D.; Kirkland, A. I.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. RP Lupini, AR (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. EM arl1000@ornl.gov FU Division of Materials Science and Engineering of the U.S. Department of Energy; Leverhulme Trust [F/08 749/B]; EPSRC [EP/F048009/1]; Department of Materials at the University of Oxford FX A.R. Lupini and S.J. Pennycook would like to acknowledge support from the Division of Materials Science and Engineering of the U.S. Department of Energy. P. Wang, A.I. Kirkland and P.D. Nellist would like to acknowledge financial support from the Leverhulme Trust (F/08 749/B), the EPSRC (EP/F048009/1), and the Department of Materials at the University of Oxford. NR 32 TC 15 Z9 15 U1 4 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD JUN PY 2010 VL 110 IS 7 BP 891 EP 898 DI 10.1016/j.ultramic.2010.04.006 PG 8 WC Microscopy SC Microscopy GA 627PA UT WOS:000280050900024 PM 20434843 ER PT J AU Courbet, C Isenburg, M AF Courbet, Clement Isenburg, Martin TI Streaming compression of hexahedral meshes SO VISUAL COMPUTER LA English DT Article DE Large meshes; Streaming compression; Hexahedral meshes; Cell data compression AB We describe a method for streaming compression of hexahedral meshes. Given an interleaved stream of vertices and hexahedra our coder incrementally compresses the mesh in the presented order. Our coder is extremely memory efficient when the input stream also documents when vertices are referenced for the last time (i.e. when it contains topological finalization tags). Our coder then continuously releases and reuses data structures that no longer contribute to compressing the remainder of the stream. This means in practice that our coder has only a small fraction of the whole mesh in memory at any time. We can therefore compress very large meshes-even meshes that do not fit in memory. Compared to traditional, non-streaming approaches that load the entire mesh and globally reorder it during compression, our algorithm trades a less compact compressed representation for significant gains in speed, memory, and I/O efficiency. For example, on the 456k hexahedra "blade" mesh, our coder is twice as fast and uses 88 times less memory (only 3.1 MB) with the compressed file increasing about 3% in size. We also present the first scheme for predictive compression of properties associated with hexahedral cells. C1 [Courbet, Clement] Ecole Cent Paris, Paris, France. [Isenburg, Martin] Lawrence Livermore Natl Lab, Lawrence, CA USA. RP Courbet, C (reprint author), Ecole Cent Paris, Paris, France. EM clement.courbet@ecp.fr; isenburg@llnl.gov FU French National Research Agency (ANR) [ANR-08-COSI-003]; U.S. Department of Energy [DE-AC52-07NA27344]; Office of Advanced Scientific Computing Research, Office of Science, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work has in part been supported by French National Research Agency (ANR) through COSINUS program (project COLLAVIZ ANR-08-COSI-003) and by the collaboration SACO with the CEA DAM/DIF. This work was in part performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the Director, Office of Advanced Scientific Computing Research, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The "cedre" dataset comes from a combustion simulation at the French aerospace laboratory ONERA using their CEDRE software. NR 19 TC 2 Z9 2 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-2789 J9 VISUAL COMPUT JI Visual Comput. PD JUN PY 2010 VL 26 IS 6-8 BP 1113 EP 1122 DI 10.1007/s00371-010-0481-7 PG 10 WC Computer Science, Software Engineering SC Computer Science GA 602JQ UT WOS:000278135800070 ER PT J AU Altman, SJ McGrath, LK Jones, HDT Sanchez, A Noek, R Clem, P Cook, A Ho, CK AF Altman, Susan J. McGrath, Lucas K. Jones, Howland D. T. Sanchez, Andres Noek, Rachel Clem, Paul Cook, Adam Ho, Clifford K. TI Systematic analysis of micromixers to minimize biofouling on reverse osmosis membranes SO WATER RESEARCH LA English DT Article DE Micromixers; Biofouling; Reverse osmosis; Water treatment; Permeate flux; Hyperspectral imaging ID SPACER-FILLED CHANNELS; MASS-TRANSFER; MODULES; FLOW; OPTIMIZATION; FLUX AB Micromixers, UV-curable epoxy traces printed on the surface of a reverse osmosis membrane, were tested on a cross-flow system to determine their success at reducing biofouling. Biofouling was quantified by measuring the rate of permeate flux decline and the median bacteria concentration on the surface of the membrane (as determined by fluorescence intensity counts due to nucleic acid stains as measured by hyperspectral imaging). The micromixers do not appear to significantly increase the pressure needed to maintain the same initial permeate flux and salt rejection. Chevrons helped prevent biofouling of the membranes in comparison with blank membranes. The chevron design controlled where the bacteria adhered to the membrane surface. However, blank membranes with spacers had a lower rate of permeate flux decline than the membranes with chevrons despite having greater bacteria concentrations on their surfaces. with better optimization of the micromixer design, the micromixers could be used to control where the bacteria will adhere to the surface and create a more biofouling resistant membrane that will help to drive down the cost of water treatment. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Altman, Susan J.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [McGrath, Lucas K.; Sanchez, Andres] LMATA Govt Serv LLC, Albuquerque, NM 87185 USA. [Jones, Howland D. T.; Noek, Rachel] Sandia Natl Labs, Bioenergy & Def Technol Dept, Albuquerque, NM 87185 USA. [Clem, Paul; Cook, Adam] Sandia Natl Labs, Ceram Proc & Inorgan Mat Dept, Albuquerque, NM 87185 USA. [Ho, Clifford K.] Sandia Natl Labs, Natl Secur Applicat Dept, Albuquerque, NM 87185 USA. RP Altman, SJ (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800,MS-0754, Albuquerque, NM 87185 USA. EM sjaltma@sandia.gov FU Sandia National Laboratories Laboratory Directed Research and Development (LORD); U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This research was funded under the Sandia National Laboratories Laboratory Directed Research and Development (LORD) program. Menachem Elimelech, Moshe Herzberg, and Atar Adout from Yale University are thanked for their advice in designing and conducting these experiments. Laura Halbleib assisted with the Design of Experiments Analysis. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 27 TC 2 Z9 3 U1 2 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0043-1354 J9 WATER RES JI Water Res. PD JUN PY 2010 VL 44 IS 12 BP 3545 EP 3554 DI 10.1016/j.watres.2010.03.038 PG 10 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA 618UZ UT WOS:000279382500001 PM 20493509 ER PT J AU Brown, G Faifer, V Cardozo, B Bykov, E Contreras, M AF Brown, Gregory Faifer, Vladimir Cardozo, Ben Bykov, Eugene Contreras, Miguel TI Theory of electroluminescence intensity and insights into recombination in thin film solar cells SO APPLIED PHYSICS LETTERS LA English DT Article DE copper compounds; electroluminescence; gallium compounds; indium compounds; semiconductor devices; solar cells; ternary semiconductors; thin film devices ID CU(IN,GA)SE-2; PERFORMANCE; DEFECTS AB Equations describing the electroluminescence (EL) intensity as a function of material properties are derived for thin film solar cells and experimentally validated using Cu(In,Ga)Se(2) solar cells. EL intensity at constant voltage is controlled by the electronic properties of the neutral bulk even when the diode current is controlled by recombination in the space charge region. Using a combination of techniques, it is found that recombination in the quasineutral bulk does not correlate with recombination in the space charge region. Differences between EL measurements on thin film cells and crystalline silicon cells are discussed including the effects of secondary barriers. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3443637] C1 [Brown, Gregory; Faifer, Vladimir; Cardozo, Ben; Bykov, Eugene] Nanosolar Inc, San Jose, CA 95138 USA. [Contreras, Miguel] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Brown, G (reprint author), Nanosolar Inc, San Jose, CA 95138 USA. EM gregory.brown@nanosolar.com NR 17 TC 8 Z9 8 U1 2 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 31 PY 2010 VL 96 IS 22 AR 222102 DI 10.1063/1.3443637 PG 3 WC Physics, Applied SC Physics GA 606EL UT WOS:000278404800025 ER PT J AU Du, YP Pan, GH Moate, R Ohldag, H Kovacs, A Kohn, A AF Du, Yuqing Pan, Genhua Moate, Roy Ohldag, Hendrik Kovacs, Andras Kohn, Amit TI Enhanced exchange anisotropy in IrMn/CoFeB systems and its correlation with uncompensated interfacial spins SO APPLIED PHYSICS LETTERS LA English DT Article DE cobalt; magnetic domain walls; micromagnetics; perpendicular magnetic anisotropy; platinum AB Bottom pinned exchange bias systems of IrMn/CoFe and IrMn/CoFeB on CoFe seed layers were studied. Enhanced exchange anisotropy has been observed for IrMn/CoFeB samples annealed at 350 degrees C. The ferromagnetic and antiferromagnetic layers of both samples are polycrystalline and textured {110} for the CoFe and CoFeB, and {111} for IrMn. Results demonstrated that the enhanced exchange anisotropy in the IrMn/CoFeB system is closely associated with the increased uncompensated interfacial spins as evidenced by the enhanced Mn x-ray magnetic circular dichroism (XMCD) signal strength. A quantitative correlation between the Mn XMCD signal and the exchange anisotropy constant J(k) was observed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3442480] C1 [Du, Yuqing; Pan, Genhua; Moate, Roy] Univ Plymouth, Fac Sci & Technol, Wolfson Nanotechnol Lab, Plymouth PL4 8AA, Devon, England. [Ohldag, Hendrik] Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. [Kovacs, Andras; Kohn, Amit] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. RP Du, YP (reprint author), Univ Plymouth, Fac Sci & Technol, Wolfson Nanotechnol Lab, Plymouth PL4 8AA, Devon, England. EM gpan@plymouth.ac.uk RI Kohn, Amit/F-1559-2012; Kovacs, Andras/K-3360-2013; Ohldag, Hendrik/F-1009-2014; OI Kovacs, Andras/0000-0001-8485-991X; Pan, Genhua/0000-0002-2678-7898 NR 13 TC 10 Z9 10 U1 2 U2 33 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 31 PY 2010 VL 96 IS 22 AR 222503 DI 10.1063/1.3442480 PG 3 WC Physics, Applied SC Physics GA 606EL UT WOS:000278404800037 ER PT J AU Kocaman, S Yang, X McMillan, JF Yu, MB Kwong, DL Wong, CW AF Kocaman, S. Yang, X. McMillan, J. F. Yu, M. B. Kwong, D. L. Wong, C. W. TI Observations of temporal group delays in slow-light multiple coupled photonic crystal cavities SO APPLIED PHYSICS LETTERS LA English DT Article DE laser cavity resonators; optical pumping; photonic crystals; Q-factor; quantum electrodynamics; self-induced transparency; slow light ID ELECTROMAGNETICALLY INDUCED TRANSPARENCY; LASERS AB We demonstrate temporal group delays in coherently coupled high-Q multicavity photonic crystals, in an all-optical analog to electromagnetically induced transparency. We report deterministic control of the group delay up to 4x the single cavity lifetime in our room-temperature chip. Supported by three-dimensional numerical simulations and theoretical analyses, our multipump beam approach enables control of the multicavity resonances and intercavity phase, in both single and double transparency peaks. The standing-wave wavelength-scale photon localization allows direct scalability for chip-scale optical pulse trapping and coupled-cavity quantum electrodynamics. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3446893] C1 [Kocaman, S.; McMillan, J. F.; Wong, C. W.] Columbia Univ, Opt Nanostruct Lab, Ctr Integrated Sci & Engn Solid State Sci & Engn, New York, NY 10027 USA. [Yang, X.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Yu, M. B.; Kwong, D. L.] Inst Microelect, Singapore 117685, Singapore. RP Kocaman, S (reprint author), Columbia Univ, Opt Nanostruct Lab, Ctr Integrated Sci & Engn Solid State Sci & Engn, New York, NY 10027 USA. EM sk2927@columbia.edu; cww2104@columbia.edu RI Kocaman, Serdar/F-7582-2013; liu, ze/A-2322-2010 FU NSF [ECCS-0747787]; DARPA [W911NF-07-1-0175]; New York State Foundation for Science, Technology and Innovation FX The authors thank T. Gu and J. Zheng for helpful discussions. We acknowledge funding support from 2008 NSF CAREER Award (Grant No. ECCS-0747787), a 2007 DARPA Young Faculty Award (Grant No. W911NF-07-1-0175), and the New York State Foundation for Science, Technology and Innovation. NR 24 TC 16 Z9 18 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 31 PY 2010 VL 96 IS 22 AR 221111 DI 10.1063/1.3446893 PG 3 WC Physics, Applied SC Physics GA 606EL UT WOS:000278404800011 ER PT J AU Morozovska, AN Eliseev, EA Kalinin, SV AF Morozovska, A. N. Eliseev, E. A. Kalinin, S. V. TI Electromechanical probing of ionic currents in energy storage materials SO APPLIED PHYSICS LETTERS LA English DT Article DE bismuth compounds; cooling; domains; ferroelasticity; ferroelectric materials; ferroelectric transitions; nucleation; sodium compounds ID ATOMIC-FORCE MICROSCOPY; THIN-FILMS; LICOO2; DIFFUSION; CELL AB The electrochemical processes in energy storage materials are generally linked with changes of molar volume of the host compound. Here, the frequency dependent strain response of one-dimensional electrochemically active system to periodic electric bias is analyzed. The sensitivity and resolution of electrochemical strain measurements are compared to the current-based electrochemical impedance spectroscopy. The resolution and detection limits of interferometric and atomic force microscopy based systems for probing electrochemical reactions on the nanoscale are analyzed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3446838] C1 [Morozovska, A. N.] Natl Acad Sci Ukraine, Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Eliseev, E. A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. [Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37922 USA. RP Morozovska, AN (reprint author), Natl Acad Sci Ukraine, Inst Semicond Phys, 41 Pr Nauki, UA-03028 Kiev, Ukraine. EM morozo@i.com.ua; sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [ERKCC61]; National Academy of Science of Ukraine; Ministry of Science and Education of Ukraine FX This material is based upon work 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 No. ERKCC61 (S.V.K.). Authors are grateful to the Referee for valuable suggestions. A.N.M. and E. A. E. gratefully acknowledge financial support from National Academy of Science of Ukraine and Ministry of Science and Education of Ukraine. NR 16 TC 37 Z9 37 U1 2 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 31 PY 2010 VL 96 IS 22 AR 222906 DI 10.1063/1.3446838 PG 3 WC Physics, Applied SC Physics GA 606EL UT WOS:000278404800049 ER PT J AU Seo, H Cho, YJ Kim, J Bobade, SM Park, KY Lee, J Choi, DK AF Seo, Hyungtak Cho, Young-Je Kim, Jinwoo Bobade, Santosh M. Park, Kyoung-Youn Lee, Jaegab Choi, Duck-Kyun TI Permanent optical doping of amorphous metal oxide semiconductors by deep ultraviolet irradiation at room temperature SO APPLIED PHYSICS LETTERS LA English DT Article DE amorphous semiconductors; carrier density; carrier mobility; conduction bands; Fermi level; gallium compounds; II-VI semiconductors; indium compounds; semiconductor doping; semiconductor thin films; thin film transistors; two-photon processes; ultraviolet radiation effects; wide band gap semiconductors ID TRANSPARENT; TRANSPORT AB We report an investigation of two photon ultraviolet (UV) irradiation induced permanent n-type doping of amorphous InGaZnO (a-IGZO) at room temperature. The photoinduced excess electrons were donated to change the Fermi-level to a conduction band edge under the UV irradiation, owing to the hole scavenging process at the oxide interface. The use of optically n-doped a-IGZO channel increased the carrier density to similar to 10(18) cm(-3) from the background level of 10(16) cm(-3), as well as the comprehensive enhancement upon UV irradiation of a-IGZO thin film transistor parameters, such as an on-off current ratio at similar to 10(8) and field-effect mobility at 22.7 cm(2)/V s. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3429586] C1 [Cho, Young-Je; Bobade, Santosh M.; Park, Kyoung-Youn; Choi, Duck-Kyun] Hanyang Univ, Div Mat Sci & Engn, Seoul 133791, South Korea. [Seo, Hyungtak] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Kim, Jinwoo] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Lee, Jaegab] Kookmin Univ, Sch Adv Mat Engn, Seoul 136702, South Korea. RP Choi, DK (reprint author), Hanyang Univ, Div Mat Sci & Engn, Seoul 133791, South Korea. EM duck@hanyang.ac.kr RI Kim, Jinwoo/G-7223-2012 FU Korea Science and Engineering Foundation; Ministry of Education, Science, and Technology [R11-2005-048-00000-0]; Ministry of Knowledge Economy [F0004061-2009-32]; Korean Government FX H.S. and Y.J.C. equally contributed to the current study. H.S. and D.K.C. thank Dr. David E. Aspnes for the collaboration on spectroscopic ellipsometry measurements. This work was supported by a Korea Science and Engineering Foundation grant funded by the Ministry of Education, Science, and Technology (No. R11-2005-048-00000-0, SRC/ERC Program, CMPS) and the Information Display R&D Center grant funded by the Ministry of Knowledge Economy (No. F0004061-2009-32, the 21st Century Frontier R&D Program) of the Korean Government. NR 14 TC 13 Z9 13 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 31 PY 2010 VL 96 IS 22 AR 222101 DI 10.1063/1.3429586 PG 3 WC Physics, Applied SC Physics GA 606EL UT WOS:000278404800024 ER PT J AU Yin, WJ Chen, SY Yang, JH Gong, XG Yan, YF Wei, SH AF Yin, Wan-Jian Chen, Shiyou Yang, Ji-Hui Gong, Xin-Gao Yan, Yanfa Wei, Su-Huai TI Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction SO APPLIED PHYSICS LETTERS LA English DT Article DE band structure; density functional theory; titanium compounds ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; THIN-FILMS; OPTICAL-PROPERTIES; ELASTIC-CONSTANTS; BASIS-SET; RUTILE; SEMICONDUCTORS; PHOTOCATALYST; POLYMORPHS AB Due to its large band gap (3.2 eV), TiO2 cannot absorb sun light effectively. To reduce its band gap, various approaches have been attempted; most of them are using doping to modify its band structure. Using first-principles band structure calculations, we show that unlike the rutile phases, the band gap of TiO2 in the anatase phase can be effectively reduced by applying stress along a soft direction. We propose that this approach of tuning the band gap by applying stress along soft direction of a layered semiconductor is general and should be applicable to other anisotropic materials. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3430005] C1 [Yin, Wan-Jian; Chen, Shiyou; Yang, Ji-Hui; Gong, Xin-Gao] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. [Yin, Wan-Jian; Chen, Shiyou; Yang, Ji-Hui; Gong, Xin-Gao] Fudan Univ, Key Lab Computat Phys Sci MOE, Shanghai 200433, Peoples R China. [Yan, Yanfa; Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Yin, WJ (reprint author), Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. EM xggong@fudan.edu.cn RI Yin, Wanjian/F-6738-2013; gong, xingao /B-1337-2010; gong, xingao/D-6532-2011 FU National Science Foundation of China [10934002]; Shanghai municipality and MOE; Supercomputer Center of Fudan University; U.S Department of Energy [DEAC3608GO28308] FX The work in Fudan University is partially supported by the National Science Foundation of China Grant No. 10934002, the Special Funds for Major State Basic Research, and also partially supported by Shanghai municipality and MOE. The computation is performed in the Supercomputer Center of Shanghai, the Supercomputer Center of Fudan University, and CCS. The work at NREL is funded by the U.S Department of Energy under Contract No. DEAC3608GO28308. NR 31 TC 93 Z9 93 U1 6 U2 73 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 31 PY 2010 VL 96 IS 22 AR 221901 DI 10.1063/1.3430005 PG 3 WC Physics, Applied SC Physics GA 606EL UT WOS:000278404800016 ER PT J AU Anders, A AF Anders, Andre TI A structure zone diagram including plasma-based deposition and ion etching SO THIN SOLID FILMS LA English DT Article DE Structure zone diagram; Thin film deposition; Plasma assistance; Ion etching; Stress; Morphology; Homologous temperature; Potential and kinetic energy ID MAGNETRON SPUTTER-DEPOSITION; PHYSICAL VAPOR-DEPOSITION; ENERGETIC CONDENSATION; THIN-FILMS; ORIENTATION; COATINGS; MODEL AB An extended structure zone diagram is proposed that includes energetic deposition, characterized by a large flux of ions typical for deposition by filtered cathodic arcs and high power impulse magnetron sputtering. The axes are comprised of a generalized homologous temperature, the normalized kinetic energy flux, and the net film thickness, which can be negative due to ion etching. It is stressed that the number of primary physical parameters affecting growth by far exceeds the number of available axes in such a diagram and therefore it can only provide an approximate and simplified illustration of the growth condition-structure relationships. (C) 2009 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. 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 Office of Building Technology, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Comments by J. Brown, A. Ehiasarian and P. Hovsepian, J. Andersson and an anonymous referee are gratefully acknowledged. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 144 Z9 146 U1 5 U2 104 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD MAY 31 PY 2010 VL 518 IS 15 BP 4087 EP 4090 DI 10.1016/j.tsf.2009.10.145 PG 4 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 603XS UT WOS:000278242000004 ER PT J AU Li, M Kowal, A Sasaki, K Marinkovic, N Su, D Korach, E Liu, P Adzic, RR AF Li, M. Kowal, A. Sasaki, K. Marinkovic, N. Su, D. Korach, E. Liu, P. Adzic, R. R. TI Ethanol oxidation on the ternary Pt-Rh-SnO2/C electrocatalysts with varied Pt:Rh:Sn ratios SO ELECTROCHIMICA ACTA LA English DT Article; Proceedings Paper CT 1st International Symposium on Electrochemistry CY JUL 09-11, 2008 CL Bellville, SOUTH AFRICA DE Ethanol electrooxidation; Ternary-electrocatalysts; Pt-Rh-SnO2; Electrocatalysis ID TIME FTIR SPECTROSCOPY; IN-SITU FTIR; FUEL-CELLS; ELECTROOXIDATION PATHWAYS; METAL NANOPARTICLES; PLATINUM-ELECTRODES; RECENT PROGRESS; ADSORPTION; PT(111); DEMS AB Ternary Pt-Rh-SnO2/C electrocatalysts with the atomic ratio Pt:Rh:Sn =3:1:x, where x varies from 2 to 6, were synthesized using the modified polyol method followed by thermal treatment. Several techniques used to characterize these electrocatalysts showed they were composed of homogeneous PtRh alloy and SnO2, having all three constituents coexisting in single nanoparticles with the average particle size around 1.4 nm and a narrow size distribution. While all the electrocatalysts investigated exhibited high catalytic activity for ethanol oxidation, the most active one had the composition with the Pt:Rh:Sn =3:1:4 atomic ratio. These ternary-electrocatalysts effectively split the C-C bond in ethanol at room temperature in acidic solutions, which is verified using the in situ IRRAS technique. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Li, M.; Kowal, A.; Sasaki, K.; Liu, P.; Adzic, R. R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Marinkovic, N.] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. [Su, D.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Korach, E.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Adzic, RR (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM adzic@bnl.gov RI Li, Meng/L-8507-2013; Marinkovic, Nebojsa/A-1137-2016; Su, Dong/A-8233-2013 OI Marinkovic, Nebojsa/0000-0003-3579-3453; Su, Dong/0000-0002-1921-6683 FU U.S. Department of Energy, Divisions of Chemical and Material Sciences [DE-AC02-98CH10886] FX This work is supported by U.S. Department of Energy, Divisions of Chemical and Material Sciences, under the Contract No. DE-AC02-98CH10886. NR 35 TC 111 Z9 111 U1 4 U2 80 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD MAY 30 PY 2010 VL 55 IS 14 SI SI BP 4331 EP 4338 DI 10.1016/j.electacta.2009.12.071 PG 8 WC Electrochemistry SC Electrochemistry GA 598XF UT WOS:000277872500019 ER PT J AU Egedal, J Le, A Zhu, Y Daughton, W Oieroset, M Phan, T Lin, RP Eastwood, JP AF Egedal, J. Le, A. Zhu, Y. Daughton, W. Oieroset, M. Phan, T. Lin, R. P. Eastwood, J. P. TI Cause of super-thermal electron heating during magnetotail reconnection SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID MAGNETIC RECONNECTION; ENERGETIC ELECTRONS; EARTHS MAGNETOTAIL; SOLAR-FLARES; ACCELERATION; ISLANDS AB We present a candidate mechanism for the energization of super-thermal electrons during magnetic reconnection in the Earth's magnetotail. By analyzing in-situ measurements of electron distribution functions we characterize the relative energy gain of the electrons as a function of energy, Delta epsilon(epsilon). For all the events considered the high energy part of Delta epsilon(epsilon) is nearly independent of epsilon. This is the signature of energization in an acceleration potential, Phi(parallel to), which is caused by parallel electric fields in the vicinity of the reconnection region. The same acceleration mechanism is also documented for a kinetic simulation of reconnection. Citation: Egedal, J., A. Le, Y. Zhu, W. Daughton, M. Oieroset, T. Phan, R. P. Lin, and J. P. Eastwood (2010), Cause of super-thermal electron heating during magnetotail reconnection, Geophys. Res. Lett., 37, L10102, doi: 10.1029/2010GL043487. C1 [Egedal, J.; Le, A.; Zhu, Y.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Egedal, J.; Le, A.; Zhu, Y.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Daughton, W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Oieroset, M.; Phan, T.; Lin, R. P.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Eastwood, J. P.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England. [Lin, R. P.] Kyung Hee Univ, Sch Space Res, Yongin, South Korea. RP Egedal, J (reprint author), MIT, Dept Phys, Cambridge, MA 02139 USA. EM jegedal@psfc.mit.edu RI Daughton, William/L-9661-2013 FU DOE [DE-FG02-06ER54878]; NASA; Korean Ministry of Education, Science and Technology [R31-10016] FX The work at MIT was funded in part by DOE Junior Faculty Grant No. DE-FG02-06ER54878. Contributions from W. D. were supported by the NASA Heliophysics Theory Program. R. Lin has been supported in part by the WCU grant ( No. R31-10016) funded by the Korean Ministry of Education, Science and Technology. NR 16 TC 19 Z9 20 U1 0 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD MAY 28 PY 2010 VL 37 AR L10102 DI 10.1029/2010GL043487 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 603UU UT WOS:000278234400001 ER PT J AU Smith, L Page, RC Xu, Z Kohli, E Litman, P Nix, JC Ithychanda, SS Liu, JM Qin, J Misra, S Liedtke, CM AF Smith, Laura Page, Richard C. Xu, Zhen Kohli, Ekta Litman, Paul Nix, Jay C. Ithychanda, Sujay S. Liu, Jianmin Qin, Jun Misra, Saurav Liedtke, Carole M. TI Biochemical Basis of the Interaction between Cystic Fibrosis Transmembrane Conductance Regulator and Immunoglobulin-like Repeats of Filamin SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID CHLORIDE CHANNEL ACTIVITY; AIRWAY EPITHELIAL-CELLS; STRUCTURAL BASIS; PLASMA-MEMBRANE; MOLECULAR-BASIS; CFTR; PROTEIN; BINDING; NMR; PHOSPHORYLATION AB Mutations in the chloride channel cystic fibrosis transmembrane regulator (CFTR) cause cystic fibrosis, a genetic disorder characterized by defects in CFTR biosynthesis, localization to the cell surface, or activation by regulatory factors. It was discovered recently that surface localization of CFTR is stabilized by an interaction between the CFTR N terminus and the multidomain cytoskeletal protein filamin. The details of the CFTR-filamin interaction, however, are unclear. Using x-ray crystallography, we show how the CFTR N terminus binds to immunoglobulin-like repeat 21 of filamin A (FlnA-Ig21). CFTR binds to beta-strands C and D of FlnA-Ig21 using backbone-backbone hydrogen bonds, a linchpin serine residue, and hydrophobic side-chain packing. We use NMR to determine that the CFTR N terminus also binds to several other immunoglobulin-like repeats from filamin A in vitro. Our structural data explain why the cystic fibrosis-causing S13F mutation disrupts CFTR-filamin interaction. We show that FlnA-Ig repeats transfected into cultured Calu-3 cells disrupt CFTR-filamin interaction and reduce surface levels of CFTR. Our findings suggest that filamin A stabilizes surface CFTR by anchoring it to the actin cytoskeleton through interactions with multiple filamin Ig repeats. Such an interaction mode may allow filamins to cluster multiple CFTR molecules and to promote colocalization of CFTR and other filamin-binding proteins in the apical plasma membrane of epithelial cells. C1 [Page, Richard C.; Xu, Zhen; Kohli, Ekta; Ithychanda, Sujay S.; Liu, Jianmin; Qin, Jun; Misra, Saurav] Cleveland Clin, Dept Mol Cardiol, Cleveland, OH 44195 USA. [Smith, Laura; Litman, Paul; Liedtke, Carole M.] Case Western Reserve Univ, Rainbow Babies & Childrens Hosp, Dept Pediat, Willard Alan Bernbaum Ctr Cyst Fibrosis Res, Cleveland, OH 44106 USA. [Smith, Laura; Litman, Paul; Liedtke, Carole M.] Case Western Reserve Univ, Dept Physiol & Biophys, Cleveland, OH 44106 USA. [Nix, Jay C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Biol Consortium, Adv Light Source, Berkeley, CA 94720 USA. RP Misra, S (reprint author), Cleveland Clin, Dept Mol Cardiol, NB50,9500 Euclid Ave, Cleveland, OH 44195 USA. EM misras@ccf.org; carole.liedtke@case.edu RI Ithychanda, Sujay Subbayya/C-7792-2011; OI Ithychanda, Sujay Subbayya/0000-0001-8979-246X; Misra, Saurav/0000-0002-1385-8554; Page, Richard/0000-0002-3006-3171 FU National Institutes of Health [HL 58598]; Ralph Wilson Medical Research Foundation; Cystic Fibrosis Foundation FX This work was supported by National Institutes of Health Grant HL 58598 (to C. M. L.). This work was also supported by the Ralph Wilson Medical Research Foundation (S. M.) and by funds from a Cystic Fibrosis Foundation Research Development Program (C. M. L.). NR 58 TC 10 Z9 10 U1 1 U2 5 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 MAY 28 PY 2010 VL 285 IS 22 BP 17166 EP 17176 DI 10.1074/jbc.M109.080911 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 600JS UT WOS:000277982600079 PM 20351101 ER PT J AU Frischknecht, AL McGarrity, ES Mackay, ME AF Frischknecht, Amalie L. McGarrity, Erin S. Mackay, Michael E. TI Expanded chain dimensions in polymer melts with nanoparticle fillers SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE nanocomposites; nanoparticles; perturbation theory; polymer melts ID MONTE-CARLO SIMULATIONS; INTEGRAL-EQUATION THEORY; MATRIX CHAINS; NANOCOMPOSITES; REINFORCEMENT; COMPOSITES; PARTICLES; ELASTOMERS; STRATEGIES; SCATTERING AB We apply the self-consistent polymer reference interaction site model (SC/PRISM) to liquid state calculations of the chain dimensions in polymer melts with added nanoparticle fillers. The nanoparticles are assumed to be smaller than the polymer radius of gyration and are attracted to the polymer so that they are miscible. We find that the nanoparticles perturb the chain dimensions, causing an increase in the radius of gyration with increasing nanoparticle volume fractions, assuming reasonable interaction energies between the various components. The magnitude of the expansion is in qualitative agreement with recent neutron scattering results and suggests that the SC/PRISM approach is reasonable when dealing with these apparent nonlinear phenomena present in nanocomposites in the protein limit. (C) 2010 American Institute of Physics. [doi:10.1063/1.3428760] C1 [Frischknecht, Amalie L.] Sandia Natl Labs, CINT, Albuquerque, NM 87185 USA. [McGarrity, Erin S.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Mackay, Michael E.] Univ Delaware, Newark, DE 19716 USA. RP Frischknecht, AL (reprint author), Sandia Natl Labs, CINT, POB 5800, Albuquerque, NM 87185 USA. EM alfrisc@sandia.gov RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 FU U.S. Department of Energy [DE-FG02-05ER46211, DE-AC52-06NA25396, DE-AC04-94AL85000] FX We thank Phil Duxbury for helpful discussions and the U.S. Department of Energy for funding this research (Contract No. DE-FG02-05ER46211). This work was performed in part at the U. S. Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory (Contract No. DE-AC52-06NA25396) and Sandia National Laboratories (Contract No. DE-AC04-94AL85000). NR 34 TC 36 Z9 36 U1 3 U2 45 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2010 VL 132 IS 20 AR 204901 DI 10.1063/1.3428760 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 603BO UT WOS:000278183100028 PM 20515108 ER PT J AU Pindzola, MS Ballance, CP Robicheaux, F Colgan, J AF Pindzola, M. S. Ballance, C. P. Robicheaux, F. Colgan, J. TI Electron-impact double ionization of beryllium SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID R-MATRIX; HELIUM; EXCITATION; SCATTERING; ATOMS AB Time-dependent close-coupling, R-matrix double pseudo-states and distorted-wave methods are used to calculate the electron-impact double ionization cross section for the 1s(2)2s(2) ground state of the Be atom. At 1.5 times the double ionization threshold energy, the first two non-perturbative methods predict a cross section of approximately 1.0 x 10(-18) cm(2) for the direct double ionization of the 2s(2) subshell. At 15.0 times the double ionization threshold energy, the perturbative distorted-wave method predicts a cross section of approximately 2.0 x 10(-18) cm(2) for the indirect single ionization of the 1s(2) subshell followed by autoionization. Thus for the Be atom, the peak of the double ionization cross section is approximately two orders of magnitude smaller than the previously well-determined peak of the single ionization cross section. C1 [Pindzola, M. S.; Ballance, C. P.; Robicheaux, F.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Colgan, J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Pindzola, MS (reprint author), Auburn Univ, Dept Phys, Auburn, AL 36849 USA. RI Robicheaux, Francis/F-4343-2014; OI Robicheaux, Francis/0000-0002-8054-6040; Colgan, James/0000-0003-1045-3858 FU US Department of Energy FX This work was supported in part by grants from the US Department of Energy. Computational work was carried out at the National Energy Research Scientific Computing Center in Oakland, CA, and at the National Institute for Computational Sciences in Oak Ridge, TN. NR 24 TC 8 Z9 8 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD MAY 28 PY 2010 VL 43 IS 10 AR 105204 DI 10.1088/0953-4075/43/10/105204 PG 5 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 598GN UT WOS:000277823200011 ER PT J AU McLaughlin, KJ Strain-Damere, CM Xie, KF Brekasis, D Soares, AS Paget, MSB Kielkopf, CL AF McLaughlin, Krystle J. Strain-Damere, Claire M. Xie, Kefang Brekasis, Dimitris Soares, Alexei S. Paget, Mark S. B. Kielkopf, Clara L. TI Structural Basis for NADH/NAD(+) Redox Sensing by a Rex Family Repressor SO MOLECULAR CELL LA English DT Article ID NICOTINAMIDE-ADENINE-DINUCLEOTIDE; BACILLUS-SUBTILIS; DNA-BINDING; CRYSTAL-STRUCTURE; OXIDATIVE STRESS; OPERATOR COMPLEX; SENSOR PROTEIN; LIFE-SPAN; TRANSCRIPTION; MECHANISM AB Nicotinamide adenine dinucleotides have emerged as key signals of the cellular redox state. Yet the structural basis for allosteric gene regulation by the ratio of reduced NADH to oxidized NAD(+) is poorly understood. A key sensor among Gram-positive bacteria, Rex represses alternative respiratory gene expression until a limited oxygen supply elevates the intracellular NADH:NAD(+) ratio. Here we investigate the molecular mechanism for NADH/NAD(+) sensing among Rex family members by determining structures of Thermus aquaticus Rex bound to (1) NAD(+), (2) DNA operator, and (3) without ligand. Comparison with the Rex/NADH complex reveals that NADH releases Rex from the DNA site following a 400 closure between the dimeric subunits. Complementary site-directed mutagenesis experiments implicate highly conserved residues in NAD-responsive DNA-binding activity. These rare views of a redox sensor in action establish a means for slight differences in the nicotinamide charge, pucker, and orientation to signal the redox state of the cell. C1 [Strain-Damere, Claire M.; Brekasis, Dimitris; Paget, Mark S. B.] Univ Sussex, Dept Chem & Biochem, Brighton BN1 9QG, E Sussex, England. [McLaughlin, Krystle J.; Kielkopf, Clara L.] Univ Rochester, Sch Med & Dent, Dept Biochem & Biophys, Rochester, NY 14642 USA. [Xie, Kefang; Kielkopf, Clara L.] Johns Hopkins Univ, Bloomberg Sch Publ Hlth, Dept Biochem & Mol Biol, Baltimore, MD 21205 USA. [Soares, Alexei S.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Paget, MSB (reprint author), Univ Sussex, Dept Chem & Biochem, Brighton BN1 9QG, E Sussex, England. EM m.paget@sussex.ac.uk; clara_kielkopf@urmc.rochester.edu RI Soares, Alexei/F-4800-2014; OI Kielkopf, Clara/0000-0002-7648-8271 FU U.S. Department of Energy; National Institutes of Health; Lang Award; Biotechnology and Biological Sciences Research Council (BBSRC) [P19928] FX We deeply appreciate S.K. Burley's assistance developing this project. We are grateful to Y. Chen for technical assistance, Y. Lin and E. Sickmier for preliminary crystallographic analysis, J. Wedekind and C. Brooks for comments on the manuscript, and J. Kielkopf and D. Damerell for guidance with calculations. We thank C. von Wachenfeldt for sharing preliminary results prior to publication. The National Synchrotron Light Source is supported by the U.S. Department of Energy and the National Institutes of Health. This work was supported by a Lang Award to C.L.K., Biotechnology and Biological Sciences Research Council (BBSRC) grant P19928 to M.S.B.P, and a BBSRC studentship to C.M.S.-D. NR 52 TC 37 Z9 38 U1 2 U2 17 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 1097-2765 J9 MOL CELL JI Mol. Cell PD MAY 28 PY 2010 VL 38 IS 4 BP 563 EP 575 DI 10.1016/j.molcel.2010.05.006 PG 13 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 606SQ UT WOS:000278448100011 PM 20513431 ER PT J AU Park, JM Nalwa, KS Leung, W Constant, K Chaudhary, S Ho, KM AF Park, Joong-Mok Nalwa, Kanwar Singh Leung, Wai Constant, Kristen Chaudhary, Sumit Ho, Kai-Ming TI Fabrication of metallic nanowires and nanoribbons using laser interference lithography and shadow lithography SO NANOTECHNOLOGY LA English DT Article AB Ordered and free-standing metallic nanowires were fabricated by e-beam deposition on patterned polymer templates made by interference lithography. The dimensions of the nanowires can be controlled through adjustment of deposition conditions and polymer templates. Grain size, polarized optical transmission and electrical resistivity were measured with ordered and free-standing nanowires. C1 [Park, Joong-Mok; Leung, Wai; Constant, Kristen; Chaudhary, Sumit; Ho, Kai-Ming] US DOE, Ames Lab, Ames, IA 50011 USA. [Park, Joong-Mok; Leung, Wai; Ho, Kai-Ming] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Nalwa, Kanwar Singh; Chaudhary, Sumit] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. [Constant, Kristen; Chaudhary, Sumit] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Park, JM (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM joongmok@iastate.edu RI Chaudhary, Sumit/A-9076-2012; Constant, Kristen/C-3673-2014 OI Constant, Kristen/0000-0001-7138-9365 FU Director for Energy Research, Office of Basic Energy Sciences; Iowa State University [DE-AC02-07CH11358] FX This work is supported by the Director for Energy Research, Office of Basic Energy Sciences. The Ames Laboratory is operated for the US Department of Energy by Iowa State University under contract no. DE-AC02-07CH11358. NR 16 TC 14 Z9 14 U1 2 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD MAY 28 PY 2010 VL 21 IS 21 AR 215301 DI 10.1088/0957-4484/21/21/215301 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 590HE UT WOS:000277215200008 PM 20431192 ER PT J AU Timofeeva, EV Smith, DS Yu, WH France, DM Singh, D Routbort, JL AF Timofeeva, Elena V. Smith, David S. Yu, Wenhua France, David M. Singh, Dileep Routbort, Jules L. TI Particle size and interfacial effects on thermo-physical and heat transfer characteristics of water-based alpha-SiC nanofluids SO NANOTECHNOLOGY LA English DT Article ID TRANSFER ENHANCEMENT; NANOPARTICLE SUSPENSION; AQUEOUS SUSPENSIONS; COOLING SYSTEM; CONDUCTIVITY; FLOW; CONVECTION; VISCOSITY; FLUIDS; AL2O3 AB The effect of average particle sizes on basic macroscopic properties and heat transfer performance of alpha-SiC/water nanofluids was investigated. The average particle sizes, calculated from the specific surface area of nanoparticles, were varied from 16 to 90 nm. Nanofluids with larger particles of the same material and volume concentration provide higher thermal conductivity and lower viscosity increases than those with smaller particles because of the smaller solid/liquid interfacial area of larger particles. It was also demonstrated that the viscosity of water-based nanofluids can be significantly decreased by pH of the suspension independently from the thermal conductivity. Heat transfer coefficients were measured and compared to the performance of base fluids as well as to nanofluids reported in the literature. Criteria for evaluation of the heat transfer performance of nanofluids are discussed and optimum directions in nanofluid development are suggested. C1 [Timofeeva, Elena V.; Smith, David S.; Yu, Wenhua; Routbort, Jules L.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [France, David M.] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. [Singh, Dileep] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Timofeeva, EV (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM etimofeeva@anl.gov RI Timofeeva, Elena/E-6391-2010; OI Timofeeva, Elena V./0000-0001-7839-2727 FU DOE [M68008852]; US Department of Energy Office of Science Laboratory [DE-AC02-06CH11357] FX Many thanks to Brian Ingram for help with BET measurements. We appreciate the active cooperation of Steve Hartline from Saint Gobain Inc. in supplying nanofluids for this study and on the project in general. This work is a part of Industrial Technology Program No. M68008852 supported by the DOE.; The scanning electron microscopy was accomplished at the Electron Microscopy Center for Materials Research at Argonne National Laboratory, a US Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 71 TC 58 Z9 58 U1 4 U2 30 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 EI 1361-6528 J9 NANOTECHNOLOGY JI Nanotechnology PD MAY 28 PY 2010 VL 21 IS 21 AR 215703 DI 10.1088/0957-4484/21/21/215703 PG 10 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 590HE UT WOS:000277215200020 PM 20431197 ER PT J AU Fukushima, K Kharzeev, DE Warringa, HJ AF Fukushima, Kenji Kharzeev, Dmitri E. Warringa, Harmen J. TI Real-Time Dynamics of the Chiral Magnetic Effect SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEAVY-ION COLLISIONS; ODD BUBBLES; PSEUDOPARTICLE; VIOLATION; VACUUM; QCD AB In quantum chromodynamics, a gauge field configuration with nonzero topological charge generates a difference between the number of left- and right-handed quarks. When a (electromagnetic) magnetic field is added to this configuration, an electromagnetic current is induced along the magnetic field; this is called the chiral magnetic effect. We compute this current in the presence of a color-flux tube possessing topological charge, with a magnetic field applied perpendicular to it. We argue that this situation is realized at the early stage of relativistic heavy-ion collisions. C1 [Fukushima, Kenji] Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068502, Japan. [Kharzeev, Dmitri E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Warringa, Harmen J.] Goethe Univ Frankfurt, Inst Theoret Phys, D-60438 Frankfurt, Germany. RP Fukushima, K (reprint author), Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068502, Japan. OI Fukushima, Kenji/0000-0003-0899-740X FU Alexander von Humboldt Foundation; Japanese MEXT [20740134]; Yukawa Program for Quark Hadron Sciences; U.S. Department of Energy [DE-AC02-98CH10886] FX We are grateful to Antti Gynther, Larry McLerran, Anton Rebhan, and Andreas Schmitt for discussions. The work of H.J.W. was supported by the Alexander von Humboldt Foundation. K. F. was supported by the Japanese MEXT Grant No. 20740134 and by the Yukawa Program for Quark Hadron Sciences. This manuscript has been authored under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy. NR 42 TC 48 Z9 48 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2010 VL 104 IS 21 AR 212001 DI 10.1103/PhysRevLett.104.212001 PG 4 WC Physics, Multidisciplinary SC Physics GA 602PA UT WOS:000278150100011 PM 20867087 ER PT J AU Ku, W Berlijn, T Lee, CC AF Ku, Wei Berlijn, Tom Lee, Chi-Cheng TI Unfolding First-Principles Band Structures SO PHYSICAL REVIEW LETTERS LA English DT Article ID WANNIER FUNCTIONS; MANGANITES; ELECTRON AB A general method is presented to unfold band structures of first-principles supercell calculations with proper spectral weight, allowing easier visualization of the electronic structure and the degree of broken translational symmetry. The resulting unfolded band structures contain additional rich information from the Kohn-Sham orbitals, and absorb the structure factor that makes them ideal for a direct comparison with angle resolved photoemission spectroscopy experiments. With negligible computational expense via the use of Wannier functions, this simple method has great practical value in the studies of a wide range of materials containing impurities, vacancies, lattice distortions, or spontaneous long-range orders. C1 [Ku, Wei; Berlijn, Tom; Lee, Chi-Cheng] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Ku, Wei; Berlijn, Tom] SUNY Stony Brook, Dept Phys, Stony Brook, NY 11790 USA. RP Ku, W (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Berlijn, Tom/A-3859-2016 OI Berlijn, Tom/0000-0002-1001-2238 FU U.S. Department of Energy, Office of Basic Energy Science [DE-AC02-98CH10886]; DOE-CMSN FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, under Contract No. DE-AC02-98CH10886, and DOE-CMSN. NR 26 TC 84 Z9 84 U1 3 U2 29 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2010 VL 104 IS 21 AR 216401 DI 10.1103/PhysRevLett.104.216401 PG 4 WC Physics, Multidisciplinary SC Physics GA 602PA UT WOS:000278150100044 PM 20867120 ER PT J AU Kuzikov, SV Kazakov, SY Jiang, Y Hirshfield, JL AF Kuzikov, S. V. Kazakov, S. Yu. Jiang, Y. Hirshfield, J. L. TI Asymmetric Bimodal Accelerator Cavity for Raising rf Breakdown Thresholds SO PHYSICAL REVIEW LETTERS LA English DT Article AB We consider an axisymmetric microwave cavity for an accelerator structure whose eigenfrequency for its second lowest TM-like axisymmetric mode is twice that of the lowest such mode, and for which the fields are asymmetric along its axis. In this cavity, the peak amplitude of the rf electric field that points into either longitudinal face can be smaller than the peak field which points out. Computations show that a structure using such cavities might support an accelerating gradient about 47% greater than that for a structure using similar single-mode cavities, without an increase in breakdown probability. C1 [Kuzikov, S. V.; Kazakov, S. Yu.; Hirshfield, J. L.] Omega P Inc, New Haven, CT 06510 USA. [Kuzikov, S. V.] Russian Acad Sci, Inst Appl Phys, Nizhnii Novgorod 603950, Russia. [Kazakov, S. Yu.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Jiang, Y.; Hirshfield, J. L.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. RP Kuzikov, SV (reprint author), Omega P Inc, 258 Bradley St, New Haven, CT 06510 USA. EM jay.hirshfield@yale.edu RI Jiang, Yong/A-8956-2013 OI Jiang, Yong/0000-0002-5659-6953 FU U.S. Department of Energy, Office of High Energy Physics FX Constructive discussions of this paper were held with V. P. Yakovlev. Assistance was provided by A. A. Vikharev and M. E. Plotkin. Appreciation is tendered to the reviewer who suggested extending the original analysis to cavities with irises. This research was supported in part by the U.S. Department of Energy, Office of High Energy Physics. NR 16 TC 11 Z9 11 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2010 VL 104 IS 21 AR 214801 DI 10.1103/PhysRevLett.104.214801 PG 4 WC Physics, Multidisciplinary SC Physics GA 602PA UT WOS:000278150100030 PM 20867106 ER PT J AU Luo, JH Wu, FF Huang, JY Wang, JQ Mao, SX AF Luo, J. H. Wu, F. F. Huang, J. Y. Wang, J. Q. Mao, S. X. TI Superelongation and Atomic Chain Formation in Nanosized Metallic Glass SO PHYSICAL REVIEW LETTERS LA English DT Article ID MECHANICAL-PROPERTIES; AMORPHOUS-ALLOYS; FRACTURE MECHANISMS; MATRIX COMPOSITES; TENSILE DUCTILITY; DAMAGE; DEFORMATION AB Bulk metallic glasses are brittle and fail with no plastic strain at room temperature once shear bands propagate. How do metallic glasses deform when the size is less than that of shear bands? Here we show that Al(90)Fe(5)Ce(5) metallic glass with a size <20 nm can be extremely elongated to similar to 200%. Remarkably, even an atomic chain was formed after sample necking, which was never observed in metallic glasses. The unexpected ductility may originate from the fast surface diffusion and the absence of shear band formation, and may guide the development of ductile metallic glasses for engineering applications. C1 [Luo, J. H.; Mao, S. X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Wu, F. F.] Liaoning Univ Technol, Sch Mat Sci & Engn, Jinzhou 121001, Peoples R China. [Huang, J. Y.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Wang, J. Q.] Inst Met Sci & Technol, Shenyang 110016, Peoples R China. RP Luo, JH (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. EM jhuang@sandia.gov; smao@engr.pitt.edu RI Huang, Jianyu/C-5183-2008 FU NSF [CMMI 08 25842]; University of Pittsburgh [460_05-2008]; Sandia National Lab.; U.S. Department of Energy [DE-AC04-94AL85000]; National Natural Science Foundation of China (NSFC) [50901038] FX S. M acknowledges support from NSF CMMI 08 25842. J. H. L. and S. M. would like to acknowledge User Agreement No. 460_05-2008 through University of Pittsburgh and support from the Sandia National Lab. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U.S. Department of Energy under Contract No. DE-AC04-94AL85000. F. F. W. is supported by the National Natural Science Foundation of China (NSFC) under Grant No. 50901038. The authors thank Professor E. Ma and Professor Ju Li for enlightening discussions. NR 33 TC 54 Z9 55 U1 6 U2 33 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2010 VL 104 IS 21 AR 215503 DI 10.1103/PhysRevLett.104.215503 PG 4 WC Physics, Multidisciplinary SC Physics GA 602PA UT WOS:000278150100038 PM 20867114 ER PT J AU Wu, J Park, JS Kim, W Arenholz, E Liberati, M Scholl, A Wu, YZ Hwang, C Qiu, ZQ AF Wu, J. Park, J. S. Kim, W. Arenholz, E. Liberati, M. Scholl, A. Wu, Y. Z. Hwang, Chanyong Qiu, Z. Q. TI Direct Measurement of Rotatable and Frozen CoO Spins in Exchange Bias System of CoO/Fe/Ag(001) SO PHYSICAL REVIEW LETTERS LA English DT Article ID FILMS; MODEL; INTERFACES; ANISOTROPY AB The exchange bias of epitaxially grown CoO/Fe/Ag(001) was investigated using x-ray magnetic circular dichroism and x-ray magnetic linear dichroism (XMLD) techniques. A direct XMLD measurement on the CoO layer during the Fe magnetization reversal shows that the CoO compensated spins are rotatable at thinner thickness and frozen at larger thickness. By a quantitative determination of the rotatable and frozen CoO spins as a function of the CoO film thickness, we find the remarkable result that the exchange bias is well established before frozen spins are detectable in the CoO film. We further show that the rotatable and frozen CoO spins are uniformly distributed in the CoO film. C1 [Wu, J.; Park, J. S.; Kim, W.; Qiu, Z. Q.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kim, W.; Hwang, Chanyong] Korea Res Inst Stand & Sci, Taejon 305340, South Korea. [Arenholz, E.; Liberati, M.; Scholl, A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Wu, Y. Z.] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. RP Wu, J (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI wu, YiZheng/O-1547-2013; Wu, yizheng/P-2395-2014; Scholl, Andreas/K-4876-2012; Qiu, Zi Qiang/O-4421-2016 OI Wu, yizheng/0000-0002-9289-1271; Qiu, Zi Qiang/0000-0003-0680-0714 FU National Science Foundation [DMR-0803305]; U.S. Department of Energy [DE-AC02-05CH11231]; KICOS; Chinese Education Department FX This work was supported by National Science Foundation DMR-0803305, U.S. Department of Energy DE-AC02-05CH11231, KICOS through Global Research Laboratory project, and Chinese Education Department. NR 40 TC 59 Z9 59 U1 6 U2 51 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2010 VL 104 IS 21 AR 217204 DI 10.1103/PhysRevLett.104.217204 PG 4 WC Physics, Multidisciplinary SC Physics GA 602PA UT WOS:000278150100057 PM 20867133 ER PT J AU Wu, WD Guest, JR Horibe, Y Park, S Choi, T Cheong, SW Bode, M AF Wu, Weida Guest, J. R. Horibe, Y. Park, S. Choi, T. Cheong, S. -W. Bode, M. TI Polarization-Modulated Rectification at Ferroelectric Surfaces SO PHYSICAL REVIEW LETTERS LA English DT Article ID DOMAIN-WALLS; YMNO3; MULTIFERROICS; CONDUCTION; MEMORIES; PHYSICS; BIFEO3; FILMS AB By correlating room temperature conductive atomic force microscopy with low temperature electrostatic force microscopy images of the same sample region, we demonstrate that nanoscale electric conduction between a sharp tip and the surface of ferroelectric HoMnO3 is intrinsically modulated by the polarization of ferroelectric domains. Conductance spectra reveal that the electric conduction is described by polarization-induced Schottky-like rectification at low bias, but dominated by a space-charge limited conduction mechanism at high bias. Our observation demonstrates visualization of ferroelectric domain structure by electric conduction, which may be used for nondestructive readout of nanoscale ferroelectric memories and/or ferroelectric sensors. C1 [Wu, Weida; Horibe, Y.; Choi, T.; Cheong, S. -W.] Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. [Wu, Weida; Horibe, Y.; Choi, T.; Cheong, S. -W.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Guest, J. R.; Bode, M.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Park, S.] Chung Ang Univ, Dept Phys, Seoul 156756, South Korea. RP Wu, WD (reprint author), Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. EM wdwu@physics.rutgers.edu RI Wu, Weida/F-2092-2011; Guest, Jeffrey/B-2715-2009; Choi, Taekjib/H-8791-2012; Bode, Matthias/S-3249-2016 OI Wu, Weida/0000-0003-1691-6091; Guest, Jeffrey/0000-0002-9756-8801; Choi, Taekjib/0000-0001-6912-3322; Bode, Matthias/0000-0001-7514-5560 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; [NSF-DMR-0844807]; [NSF-DMR-0520471] FX We would like to thank David Vanderbilt and Karin Rabe for helpful discussions and input. This work was supported by NSF-DMR-0844807 and NSF-DMR-0520471. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 30 TC 27 Z9 27 U1 4 U2 55 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2010 VL 104 IS 21 AR 217601 DI 10.1103/PhysRevLett.104.217601 PG 4 WC Physics, Multidisciplinary SC Physics GA 602PA UT WOS:000278150100059 PM 20867135 ER PT J AU Zhu, JX Yu, R Wang, HD Zhao, LL Jones, MD Dai, JH Abrahams, EH Morosan, E Fang, MH Si, QM AF Zhu, Jian-Xin Yu, Rong Wang, Hangdong Zhao, Liang L. Jones, M. D. Dai, Jianhui Abrahams, Elihu Morosan, E. Fang, Minghu Si, Qimiao TI Band Narrowing and Mott Localization in Iron Oxychalcogenides La2O2Fe2O(Se, S)(2) SO PHYSICAL REVIEW LETTERS LA English DT Article ID EXCHANGE INTERACTIONS; SUPERCONDUCTIVITY AB Bad metal properties have motivated a description of the parent iron pnictides as correlated metals on the verge of Mott localization. What has been unclear is whether interactions can push these and related compounds to the Mott-insulating side of the phase diagram. Here we consider the iron oxychalcogenides La2O2Fe2O(Se, S)(2), which contain an Fe square lattice with an expanded unit cell. We show theoretically that they contain enhanced correlation effects through band narrowing compared to LaOFeAs, and we provide experimental evidence that they are Mott insulators with moderate charge gaps. We also discuss the magnetic properties in terms of a Heisenberg model with frustrating J(1)-J(2)-J'(2) exchange interactions on a "doubled'' checkerboard lattice. C1 [Zhu, Jian-Xin] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Yu, Rong; Zhao, Liang L.; Morosan, E.; Si, Qimiao] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Wang, Hangdong; Dai, Jianhui; Fang, Minghu] Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China. [Zhao, Liang L.] SUNY Buffalo, Buffalo, NY 14260 USA. [Abrahams, Elihu] Rutgers State Univ, Ctr Mat Theory, Piscataway, NJ 08855 USA. RP Zhu, JX (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI YU, RONG/C-1506-2012; Yu, Rong/K-5854-2012; Yu, Rong/H-3355-2016; OI Zhu, Jianxin/0000-0001-7991-3918 FU National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396]; U.S. DOE Office of Science; LDRD Program at LANL; NSF [DMR-0706625, CNS-0821727]; Robert A. Welch Foundation [C-1411]; W. M. Keck Foundation; NSFC [10974175, 10874147]; National Basic Research Program of China [2009CB929104]; PCSIRT of China [IRT0754]; DoD MURI FX This work was supported by the National Nuclear Security Administration of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396, the U.S. DOE Office of Science, and the LDRD Program at LANL (J.-X.Z.), the NSF Grant No. DMR-0706625, the Robert A. Welch Foundation Grant No. C-1411, and the W. M. Keck Foundation (R. Y. and Q. S.), the NSFC Grants No. 10974175 and No. 10874147, the National Basic Research Program of China Grant No. 2009CB929104, and the PCSIRT of China Contract No. IRT0754 (H. W., J. D., and M. F.), and DoD MURI (L. L. Z. and E. M.). It was also supported in part by the Cyberinfrastructure for Computational Research funded by NSF under Grant No. CNS-0821727. J.-X. Z. thanks L. Cario for correspondence and the IT team at the Rice RCSG for help with computational resources. NR 29 TC 69 Z9 70 U1 5 U2 32 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2010 VL 104 IS 21 AR 216405 DI 10.1103/PhysRevLett.104.216405 PG 4 WC Physics, Multidisciplinary SC Physics GA 602PA UT WOS:000278150100048 PM 20867124 ER PT J AU Holm, EA Foiles, SM AF Holm, Elizabeth A. Foiles, Stephen M. TI How Grain Growth Stops: A Mechanism for Grain-Growth Stagnation in Pure Materials SO SCIENCE LA English DT Article ID BOUNDARY MOTION; COMPUTER-SIMULATION; ROUGHENING TRANSITION; MOBILITY; METALS; KINETICS; MIGRATION; EVOLUTION; IRON AB The thermodynamic equilibrium state of crystalline materials is a single crystal; however, polycrystalline grain growth almost always stops before this state is reached. Although typically attributed to solute drag, grain-growth stagnation occurs, even in high-purity materials. Recent studies indicate that grain boundaries undergo thermal roughening associated with an abrupt mobility change, so that at typical annealing temperatures, polycrystals will contain both smooth (slow) and rough (fast) boundaries. Mesoscale grain-growth models, validated by large-scale polycrystalline molecular dynamics simulations, show that even small fractions of smooth, slow boundaries can stop grain growth. We conclude that grain-boundary roughening provides an alternate stagnation mechanism that applies even to high-purity materials. C1 [Holm, Elizabeth A.; Foiles, Stephen M.] Sandia Natl Labs, Computat Mat Sci & Engn Dept, Albuquerque, NM 87185 USA. RP Holm, EA (reprint author), Sandia Natl Labs, Computat Mat Sci & Engn Dept, POB 5800, Albuquerque, NM 87185 USA. EM eaholm@sandia.gov RI Holm, Elizabeth/S-2612-2016; OI Holm, Elizabeth/0000-0003-3064-5769; Foiles, Stephen/0000-0002-1907-454X FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences; Sandia National Laboratories; DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX Our initial work on grain growth with frozen boundaries, which informed this study, was performed in collaboration with G. Hassold. Support for this work was provided by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, and by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 32 TC 86 Z9 87 U1 10 U2 82 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 28 PY 2010 VL 328 IS 5982 BP 1138 EP 1141 DI 10.1126/science.1187833 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 601YR UT WOS:000278104700038 PM 20508126 ER PT J AU White, TD Ambrose, SH Suwa, G WoldeGabriel, G AF White, Tim D. Ambrose, Stanley H. Suwa, Gen WoldeGabriel, Giday TI Response to Comment on the Paleoenvironment of Ardipithecus ramidus SO SCIENCE LA English DT Editorial Material ID KENYA RIFT-VALLEY; SOIL CARBON; ENVIRONMENTS; EVOLUTION; HABITAT AB Cerling et al. contest our interpretation of the woodland habitat preference of Ardipithecus ramidus. However, their reconstruction of a predominantly open grassy environment with riparian woodlands is inconsistent with the totality of the fossil, geological, and geochemical evidence. In the Middle Awash, Ar. ramidus fossils are confined to the western portion of the sampled Pliocene landscape where the species is associated with woodland to grassy woodland habitat indicators. C1 [White, Tim D.] Univ Calif Berkeley, Human Evolut Res Ctr, Berkeley, CA 94720 USA. [White, Tim D.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. [Ambrose, Stanley H.] Univ Illinois, Dept Anthropol, Urbana, IL 61801 USA. [Suwa, Gen] Univ Tokyo, Univ Museum, Bunkyo Ku, Tokyo 1130033, Japan. [WoldeGabriel, Giday] Los Alamos Natl Lab, Earth Environm Sci Div, Los Alamos, NM 87545 USA. RP White, TD (reprint author), Univ Calif Berkeley, Human Evolut Res Ctr, 3101 Valley Life Sci Bldg, Berkeley, CA 94720 USA. EM timwhite@berkeley.edu; wgiday@lanl.gov NR 21 TC 0 Z9 0 U1 1 U2 14 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 28 PY 2010 VL 328 IS 5982 DI 10.1126/science.1185466 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 601YR UT WOS:000278104700023 ER PT J AU Lau, MW Gunawan, C Balan, V Dale, BE AF Lau, Ming W. Gunawan, Christa Balan, Venkatesh Dale, Bruce E. TI Comparing the fermentation performance of Escherichia coli KO11, Saccharomyces cerevisiae 424A(LNH-ST) and Zymomonas mobilis AX101 for cellulosic ethanol production SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article ID FUEL ETHANOL; CORN STOVER; XYLOSE FERMENTATION; GLUCOSE; BIOMASS; SACCHARIFICATION; DEHYDROGENASE; BACTERIA; PATHWAY; YEAST AB Background: Fermentations using Escherichia coli KO11, Saccharomyces cerevisiae 424A(LNH-ST), and Zymomonas mobilis AX101 are compared side-by-side on corn steep liquor (CSL) media and the water extract and enzymatic hydrolysate from ammonia fiber expansion (AFEX)-pretreated corn stover. Results: The three ethanologens are able produce ethanol from a CSL-supplemented co-fermentation at a metabolic yield, final concentration and rate greater than 0.42 g/g consumed sugars, 40 g/L and 0.7 g/L/h (0-48 h), respectively. Xylose-only fermentation of the tested ethanologenic bacteria are five to eight times faster than 424A(LNH-ST) in the CSL fermentation. All tested strains grow and co-ferment sugars at 15% w/v solids loading equivalent of ammonia fiber explosion (AFEX)pretreated corn stover water extract. However, both KO11 and 424A(LNH-ST) exhibit higher growth robustness than AX101. In 18% w/w solids loading lignocellulosic hydrolysate from AFEX pretreatment, complete glucose fermentations can be achieved at a rate greater than 0.77 g/L/h. In contrast to results from fermentation in CSL, S. cerevisiae 424A(LNH-ST) consumed xylose at the greatest extent and rate in the hydrolysate compared to the bacteria tested. Conclusions: Our results confirm that glucose fermentations among the tested strains are effective even at high solids loading (18% by weight). However, xylose consumption in the lignocellulosic hydrolysate is the major bottleneck affecting overall yield, titer or rate of the process. In comparison, Saccharomyces cerevisiae 424A(LNH-ST) is the most relevant strains for industrial production for its ability to ferment both glucose and xylose from undetoxified and unsupplemented hydrolysate from AFEX-pretreated corn stover at high yield. C1 [Lau, Ming W.; Gunawan, Christa; Balan, Venkatesh; Dale, Bruce E.] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, Dept Chem Engn & Mat Sci, Lansing, MI 48910 USA. RP Dale, BE (reprint author), Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, Dept Chem Engn & Mat Sci, 3900 Collins Rd, Lansing, MI 48910 USA. EM bdale@egr.msu.edu FU US Department of Energy through the DOE Great Lakes Bioenergy Research Center (GLBRC) [FC02-07ER64494] FX This work was financially supported by US Department of Energy through the DOE Great Lakes Bioenergy Research Center (GLBRC) Grant DE-FC02-07ER64494. Spezyme and Multifect enzymes are provided by Genencor Inc. The authors are grateful to Purdue University and the National Renewable Energy Laboratory for granting access to 424A(LNH-ST) strain and AX101. Thanks are due to the members of the Biomass Conversion Research Laboratory at Michigan State University for general assistance in the research work, particularly Derek Marshall and Charles Donald Jr who prepared the AFEX-pretreated corn stover. We are also grateful to Genencor Inc and Cargill Inc for supplying enzymes and FermGold (TM) corn steep liquor, respectively. NR 27 TC 61 Z9 64 U1 2 U2 27 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD MAY 27 PY 2010 VL 3 AR 11 DI 10.1186/1754-6834-3-11 PG 10 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA 622YB UT WOS:000279701800001 PM 20507563 ER PT J AU Haley, BJ Grim, CJ Hasan, NA Choi, SY Chun, J Brettin, TS Bruce, DC Challacombe, JF Detter, JC Han, CS Huq, A Colwell, RR AF Haley, Bradd J. Grim, Christopher J. Hasan, Nur A. Choi, Seon-Young Chun, Jongsik Brettin, Thomas S. Bruce, David C. Challacombe, Jean F. Detter, J. Chris Han, Cliff S. Huq, Anwar Colwell, Rita R. TI Comparative genomic analysis reveals evidence of two novel Vibrio species closely related to V. cholerae SO BMC MICROBIOLOGY LA English DT Article ID CTX-PHI; SP-NOV; PATHOGENICITY ISLAND; TAXONOMY; MIMICUS; CHITIN; GENES; PROKARYOTES; DEFINITION; COMPETENCE AB Background: In recent years genome sequencing has been used to characterize new bacterial species, a method of analysis available as a result of improved methodology and reduced cost. Included in a constantly expanding list of Vibrio species are several that have been reclassified as novel members of the Vibrionaceae. The description of two putative new Vibrio species, Vibrio sp. RC341 and Vibrio sp. RC586 for which we propose the names V. metecus and V. parilis, respectively, previously characterized as non-toxigenic environmental variants of V. cholerae is presented in this study. Results: Based on results of whole-genome average nucleotide identity (ANI), average amino acid identity (AAI), rpoB similarity, MLSA, and phylogenetic analysis, the new species are concluded to be phylogenetically closely related to V. cholerae and V. mimicus. Vibrio sp. RC341 and Vibrio sp. RC586 demonstrate features characteristic of V. cholerae and V. mimicus, respectively, on differential and selective media, but their genomes show a 12 to 15% divergence (88 to 85% ANI and 92 to 91% AAI) compared to the sequences of V. cholerae and V. mimicus genomes (ANI <95% and AAI <96% indicative of separate species). Vibrio sp. RC341 and Vibrio sp. RC586 share 2104 ORFs (59%) and 2058 ORFs (56%) with the published core genome of V. cholerae and 2956 (82%) and 3048 ORFs (84%) with V. mimicus MB-451, respectively. The novel species share 2926 ORFs with each other (81% Vibrio sp. RC341 and 81% Vibrio sp. RC586). Virulence-associated factors and genomic islands of V. cholerae and V. mimicus, including VSP-I and II, were found in these environmental Vibrio spp. Conclusions: Results of this analysis demonstrate these two environmental vibrios, previously characterized as variant V. cholerae strains, are new species which have evolved from ancestral lineages of the V. cholerae and V. mimicus clade. The presence of conserved integration loci for genomic islands as well as evidence of horizontal gene transfer between these two new species, V. cholerae, and V. mimicus suggests genomic islands and virulence factors are transferred between these species. C1 [Haley, Bradd J.; Grim, Christopher J.; Hasan, Nur A.; Choi, Seon-Young; Huq, Anwar; Colwell, Rita R.] Univ Maryland, Maryland Pathogen Res Inst, College Pk, MD 20742 USA. [Grim, Christopher J.; Colwell, Rita R.] Univ Maryland, Inst Adv Comp Studies, College Pk, MD 20742 USA. [Choi, Seon-Young; Chun, Jongsik] Seoul Natl Univ, Sch Biol Sci & Inst Microbiol, Seoul 151742, South Korea. [Choi, Seon-Young; Chun, Jongsik] Int Vaccine Inst, Seoul 151818, South Korea. [Brettin, Thomas S.; Bruce, David C.; Challacombe, Jean F.; Detter, J. Chris; Han, Cliff S.] Los Alamos Natl Lab, Biosci Div, DOE Joint Genome Inst, Los Alamos, NM 87545 USA. RP Colwell, RR (reprint author), Univ Maryland, Maryland Pathogen Res Inst, College Pk, MD 20742 USA. EM rcolwell@umiacs.umd.edu FU Korea Science and Engineering Foundation National Research Laboratory [R0A-2005-000-10110-0]; National Institutes of Health [1RO1A139129-01]; National Oceanic and Atmospheric Administration, Oceans and Human Health Initiative [S0660009]; Department of Homeland Security [NBCH2070002]; Intelligence Community; Office of the Chief Scientist; National Institute of Allergy and Infectious Diseases Microbial Sequencing Centers [N01-AI-30001, N01-AI-40001] FX This work was supported in part by Korea Science and Engineering Foundation National Research Laboratory Program Grant R0A-2005-000-10110-0, National Institutes of Health Grant 1RO1A139129-01; National Oceanic and Atmospheric Administration, Oceans and Human Health Initiative Grant S0660009; Department of Homeland Security Grant NBCH2070002; Intelligence Community Post-Doctoral Fellowship Program; and funding for genome sequencing was provided by the Office of the Chief Scientist and National Institute of Allergy and Infectious Diseases Microbial Sequencing Centers Grants N01-AI-30001 and N01-AI-40001. NR 47 TC 30 Z9 30 U1 1 U2 8 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2180 J9 BMC MICROBIOL JI BMC Microbiol. PD MAY 27 PY 2010 VL 10 AR 154 DI 10.1186/1471-2180-10-154 PG 10 WC Microbiology SC Microbiology GA 625WX UT WOS:000279928600001 PM 20507608 ER PT J AU Dupont, JC Haeffelin, M Morille, Y Noel, V Keckhut, P Winker, D Comstock, J Chervet, P Roblin, A AF Dupont, J. -C. Haeffelin, M. Morille, Y. Noel, V. Keckhut, P. Winker, D. Comstock, J. Chervet, P. Roblin, A. TI Macrophysical and optical properties of midlatitude cirrus clouds from four ground-based lidars and collocated CALIOP observations SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID RADIATIVE PROPERTIES; TROPICAL CIRRUS; PART III; CLIMATOLOGY; ALGORITHM; FACILITY; MODIS; DEPOLARIZATION; RETRIEVALS; VALIDATION AB Ground-based lidar and Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) data sets gathered over four midlatitude sites, two U. S. and two French sites, are used to evaluate the consistency of cloud macrophysical and optical property climatologies that can be derived by such data sets. The consistency in average cloud height (both base and top height) between the CALIOP and ground data sets ranges from -0.4 km to +0.5 km. The cloud geometrical thickness distributions vary significantly between the different data sets, due in part to the original vertical resolutions of the lidar profiles. Average cloud geometrical thicknesses vary from 1.2 to 1.9 km, i.e., by more than 50%. Cloud optical thickness distributions in subvisible, semitransparent, and moderate intervals differ by more than 50% between ground-and space-based data sets. The cirrus clouds with optical thickness below 0.1 (not included in historical cloud climatologies) represent 30-50% of the nonopaque cirrus class. An important part of this work consists in quantifying the different possible causes of discrepancies between CALIOP and surface lidar. The differences in average cloud base altitude between ground and CALIOP data sets can be attributed to (1) irregular sampling of seasonal variations in the ground-based data, (2) day-night differences in detection capabilities by CALIOP, and (3) the restriction to situations without low-level clouds in ground-based data. Cloud geometrical thicknesses are not affected by irregular sampling of seasonal variations in the ground-based data but by the day-night differences in detection capabilities of CALIOP and by the restriction to situations without low-level clouds in ground-based data. C1 [Dupont, J. -C.; Haeffelin, M.; Morille, Y.; Noel, V.] Ecole Polytech, IPSL, LMD, F-91128 Palaiseau, France. [Comstock, J.] PNNL, Richland, WA 99352 USA. [Chervet, P.; Roblin, A.] Off Natl Etud & Rech Aerosp, F-91751 Palaiseau, France. [Keckhut, P.] Univ Versailles St Quentin, IPSL, SA, F-78280 Guyancourt, France. [Winker, D.] NASA, Langley Res Ctr, Hampton, VA 23681 USA. RP Dupont, JC (reprint author), Ecole Polytech, IPSL, LMD, F-91128 Palaiseau, France. EM dupont@lmd.polytechnique.fr RI Noel, Vincent/C-3702-2013 OI Noel, Vincent/0000-0001-9494-0340 FU Centre National d'Etudes Spatiales (CNES); Centre National de la Recherche Scientifique (CNRS); Office National d'Etude et de Recherche Aerospatiale (ONERA); U.S. Department of Energy; NASA FX The authors would like to thank the Centre National d'Etudes Spatiales (CNES), the Centre National de la Recherche Scientifique (CNRS), the Office National d'Etude et de Recherche Aerospatiale (ONERA), and the Climate Change Research Division of the U.S. Department of Energy as part of the Atmospheric Radiation Measurement (ARM) Program for their support in this study. The data at the COVE site are funded by the NASA Earth Observing System project. We extend our acknowledgments to the technical and computer staff of each observatory for taking the observations and making the data set easily accessible and to the ICARE datacenter for providing CALIOP level-2 data. The NR 39 TC 23 Z9 23 U1 1 U2 9 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 27 PY 2010 VL 115 AR D00H24 DI 10.1029/2009JD011943 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 603VP UT WOS:000278236500001 ER PT J AU Hay, MB Myneni, SCB AF Hay, Michael B. Myneni, Satish C. B. TI X-ray Absorption Spectroscopy of Aqueous Aluminum-Organic Complexes SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID NUCLEAR MAGNETIC-RESONANCE; ETHYLENEDIAMINETETRAACETIC ACID COMPLEXES; SITU ATR-FTIR; INFRARED-SPECTRA; ACETOHYDROXAMIC ACID; ELECTRONIC-STRUCTURE; THEORETICAL-ANALYSIS; DESFERRIOXAMINE-B; MULTINUCLEAR NMR; HEAT-CAPACITIES AB Aqueous-phase X-ray absorption near-edge structure (XANES) spectra were collected on dissolved Al complexes with organic ligands, including desferrioxamine B, EDTA, acetohydroxamate, malate, oxalate, and salicylate. Spectral interpretations were made using the density functional theory-based modeling package StoBe. The goals of this work were to study the geometric and electronic structural characteristics of these complexes relative to Al(H(2)O)(6)(3+) and to examine the utility of the aqueous Al XANES technique as a tool for probing Al speciation and structure. In the case of EDTA, aqueous Fourier-transform infrared spectroscopy was also used to corroborate the structures of the Al(EDTA)(-) and AlOH(EDTA)(2-) complexes. Synthetic XANES spectra calculated with StoBe reproduced the observed spectral differences between Al(H(2)O)(6)(3+), Al(dfoB)(+), and Al(EDTA)(-). The narrower XANES feature observed for Al(dfoB)(+) relative to Al(H(2)O)(6)(3+) can be attributed to a weaker splitting of the Al 3p - O 2p interactions in the former, while Al(EDTA)(-) exhibits split Al 3p - ligand interactions that likely result from the mixed O/N coordination. In complexes with mixed aqua/organic-oxygen ligation (Al-acetohydroxamate, Al-malate, Al-oxalate, and Al-salicylate), spectra exhibit linear, systematic changes in peak width as a function of H(2)O to organic ligand ratio in the Al coordination sphere. These results highlight the sensitivity of the aqueous Al K-edge XANES spectrum to coordination environment and demonstrate its utility as an experimental probe for future studies of Al speciation in complex solutions. C1 [Hay, Michael B.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Myneni, Satish C. B.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. [Myneni, Satish C. B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Hay, MB (reprint author), Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. EM mbhay@usgs.gov FU NSF; BES, DOE; EPA STAR; US Department of Energy [DE-AC02-05CH11231] FX This project was supported by grants from NSF (Chemical Sciences-EMSI program) and from the BES, DOE (Geosciences). M. B. H. also acknowledges financial support from the EPA STAR and NSF graduate research fellowships. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. We thank Tolek Tyliszczak, Hendrik Bluhm, Mary Gilles, and David Shull at Beam line 11.0.2, Advanced Light Source, for assistance with experimental design and setup. We also thank Kate Campbell, Alessandra Leri, and two anonymous reviewers for helpful comments on the manuscript. NR 95 TC 12 Z9 12 U1 3 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 27 PY 2010 VL 114 IS 20 BP 6138 EP 6148 DI 10.1021/jp909656q PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 597RB UT WOS:000277776600009 PM 20443586 ER PT J AU Hac-Wydro, K Flasinski, M Broniatowski, M Dynarowicz-Latka, P Majewski, J AF Hac-Wydro, Katarzyna Flasinski, Michal Broniatowski, Marcin Dynarowicz-Latka, Patrycja Majewski, Jaroslaw TI Comparative Studies on the Influence of beta-Sitosterol and Stigmasterol on Model Sphingomyelin Membranes: A Grazing-Incidence X-ray Diffraction Study SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID PLANT STEROLS; MOLECULAR MONOLAYERS; NEUTRON-SCATTERING; LANGMUIR FILMS; LIPID RAFTS; CHOLESTEROL; PHYTOSTEROLS; WATER; BILAYERS; NUCLEATION AB Sterols are essential constituents of membranes, both in the plant world and in human organisms. Therefore, their activity on model lipid systems has systematically been studied. Despite intensive investigations, differences in the effect induced by beta-sitosterol (beta-sito) and stigmasterol (stigma) (two major phytosterols) are very controversial and still under debate. To compare the influence of these compounds on model membranes, we have performed grazing incidence X-ray diffraction (GIXD) experiments on phytosterol/sphingomyelin (Sph) monolayers. The analysis of the X-ray scattering and the resulting in-plane parameters provided information on the lateral organization of pure lipid films and the mixed systems. The obtained results prove a nonideal mixing between the investigated lipids in the monolayers and the existence of strong interactions between phytosterols and Sph. Both the plant sterols incorporated into sphingolipid film condense the monolayer and order Sph chains. The results of GIXD experiments, compared with those obtained previously from Langmuir monolayer studies allowed us to observe the comparable influence of beta-sito and stigma on model membrane organization. C1 [Hac-Wydro, Katarzyna; Flasinski, Michal; Broniatowski, Marcin; Dynarowicz-Latka, Patrycja] Jagiellonian Univ, Fac Chem, PL-30060 Krakow, Poland. [Majewski, Jaroslaw] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Hac-Wydro, K (reprint author), Jagiellonian Univ, Fac Chem, Ingardena 3, PL-30060 Krakow, Poland. EM hac@chemia.uj.edu.pl RI Lujan Center, LANL/G-4896-2012; Dynarowicz-Latka, Patrycja/Q-1067-2015 OI Dynarowicz-Latka, Patrycja/0000-0002-9778-6091 FU DESY-HASYLAB, Hamburg (Germany); DOE Office of Basic Energy Sciences [DE-AC52-06NA25396]; Foundation for Polish Science FX The authors are grateful to DESY-HASYLAB, Hamburg (Germany), for granting synchrotron beam time for the realization of the project. LANSCE is funded by the DOE Office of Basic Energy Sciences under DOE Contract DE-AC52-06NA25396. K.H.-W. wishes to thank The Foundation for Polish Science for financial support. NR 47 TC 8 Z9 8 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD MAY 27 PY 2010 VL 114 IS 20 BP 6866 EP 6871 DI 10.1021/jp101196e PG 6 WC Chemistry, Physical SC Chemistry GA 597RC UT WOS:000277776800013 PM 20433183 ER PT J AU Djenadic, R Akgul, G Attenkofer, K Winterer, M AF Djenadic, Ruzica Akgul, Guvenc Attenkofer, Klaus Winterer, Markus TI Chemical Vapor Synthesis and Structural Characterization of Nanocrystalline Zn1-xCoxO (x=0-0.50) Particles by X-ray Diffraction and X-ray Absorption Spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID DOPED ZNO NANOPARTICLES; DECREASING GRAIN-SIZE; MAGNETIC-PROPERTIES; FINE-STRUCTURE; FERROMAGNETISM; SEMICONDUCTORS; REFINEMENT; SOLUBILITY; PARAMETERS; XAFS AB Nanocrystalline Zn1-xCoxO (x = 0-0.50) particles are produced by chemical vapor synthesis using laser flash evaporation as a novel precursor delivery method. The crystal and local structure of the samples is studied using X-ray diffraction and X-ray absorption spectroscopy. A single wurtzite phase is observed in samples with cobalt contents as high as = 0.25 (actual content is 0.33 determined by atomic absorption spectroscopy). X-ray absorption spectra show that the Co2+ ions are incorporated into the ZnO wurtzite lattice substituting Zn2+ ions for cobalt contents between x = 0.001 and x = 0.20. Only small lattice deformations are observed in these solid solutions. C1 [Djenadic, Ruzica; Winterer, Markus] Univ Duisburg Essen, Fac Engn, Essen, Germany. [Djenadic, Ruzica; Winterer, Markus] Univ Duisburg Essen, CeNIDE, Essen, Germany. [Akgul, Guvenc; Attenkofer, Klaus] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Akgul, Guvenc] Cukurova Univ, Dept Phys, TR-01330 Adana, Turkey. RP Winterer, M (reprint author), Univ Duisburg Essen, Fac Engn, Essen, Germany. EM markus.winterer@uni-due.de RI Djenadic, Ruzica/C-4401-2015; Winterer, Markus/N-2069-2015 FU German Research Foundation (DFG) through the Collaborative Research Center [SFB 445] FX The financial support by the German Research Foundation (DFG) through the Collaborative Research Center SFB 445 is gratefully acknowledged. The authors thank Dr. Nadia Leyarovska from APS, Argonne National Laboratory, IL, for help at the EXAFS beamline and Andreas Gondorf and Prof. Dr. Axel Lorke, Experimental Physics, University of Duisburg-Essen, Germany, for FT-IR measurements. NR 50 TC 16 Z9 16 U1 1 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 27 PY 2010 VL 114 IS 20 BP 9207 EP 9215 DI 10.1021/jp908148y PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 597RD UT WOS:000277776900003 ER PT J AU Messing, ME Westerstrom, R Meuller, BO Blomberg, S Gustafson, J Andersen, JN Lundgren, E van Rijn, R Balmes, O Bluhm, H Deppert, K AF Messing, Maria E. Westerstrom, Rasmus Meuller, Bengt O. Blomberg, Sara Gustafson, Johan Andersen, Jesper N. Lundgren, Edvin van Rijn, Richard Balmes, Olivier Bluhm, Hendrik Deppert, Knut TI Generation of Pd Model Catalyst Nanoparticles by Spark Discharge SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ROOT-5)R27-DEGREES-O SURFACE OXIDE; AEROSOL NANOPARTICLES; PARTICLES; DIFFRACTION; OXIDATION; RANGE; GOLD AB We present a method to deposit Pd nanoparticles with a very small size distribution by an aerosol process onto oxide substrates for the creation of model systems in catalytic research. The Pd nanoparticles are characterized by transmission electron microscopy, scanning electron microscopy, X-ray photoelectron spectroscopy, and X-ray diffraction. We confirm the small size dispersion from the desired particle size, and we show that the particle surface coverage can he highly controlled. Further, our measurements indicate that an amorphous shell surrounding a crystalline core of the Pd particles may form during the particle synthesis and that the shell contains carbon. C1 [Messing, Maria E.; Westerstrom, Rasmus; Meuller, Bengt O.; Blomberg, Sara; Gustafson, Johan; Andersen, Jesper N.; Lundgren, Edvin; Deppert, Knut] Lund Univ, S-22100 Lund, Sweden. [van Rijn, Richard; Balmes, Olivier] ESRF, F-38043 Grenoble, France. [van Rijn, Richard] Leiden Univ, Kamerlingh Onnes Lab, NL-2300 RA Leiden, Netherlands. [Bluhm, Hendrik] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Messing, ME (reprint author), Lund Univ, Box 118, S-22100 Lund, Sweden. EM maria.messing@ftf.lth.se RI Lundgren, Edvin/F-5551-2010; Messing, Maria/D-5546-2009; van Rijn, Richard/B-4368-2011; Deppert, Knut/A-6719-2008 OI Messing, Maria/0000-0003-1834-236X; Deppert, Knut/0000-0002-0471-951X FU Swedish Research Council; Crawford Foundation; Knut and Alice Wallenberg Foundation; Swedish Energy Agency; Anna and Edwin Berger Foundation; ESRF; ALS FX This work was performed within the Nanometer Structure Consortium at Lund University and supported by the Swedish Research Council, the Crawford Foundation, the Knut and Alice Wallenberg Foundation, the Swedish Energy Agency, and the Anna and Edwin Berger Foundation. The authors gratefully acknowledge the support of the ESRF and ALS staff. NR 32 TC 17 Z9 17 U1 2 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 27 PY 2010 VL 114 IS 20 BP 9257 EP 9263 DI 10.1021/jp101390a PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 597RD UT WOS:000277776900011 ER PT J AU Zhou, C Trionfi, A Hsu, JWP Walker, AV AF Zhou, Chuanzhen Trionfi, Aaron Hsu, Julia W. P. Walker, Amy V. TI Electron-Beam-Induced Damage of Alkanethiolate Self-Assembled Monolayers (SAMs): Dependence on Monolayer Structure and Substrate Conductivity SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SURFACE COVERAGE MEASUREMENTS; BARE SEMICONDUCTOR SURFACES; ORGANIC MONOLAYERS; WETTING PROPERTIES; CO ADSORPTION; ALKYL CHAINS; IRRADIATION; GOLD; LITHOGRAPHY; RESISTS AB We report the first studies of the relative importance of substrate conductivity and monolayer structure on the electron-beam-induced damage of alkanethiolate self-assembled monolayers (SAMs) adsorbed on Au and GaAs(001) using time-of-flight secondary-ion mass spectrometry. The results clearly show that the extent of damage observed is strongly dependent on the electrical conductivity of the substrate; at a given electron dose, the amount of degradation is greatest for SAMs adsorbed on the least conductive substrate, semi-insulating GaAs(001). This is because there is a buildup of static charge at the substrate/SAM interface, whereas for an electrically conductive substrate, electrons can be conducted away from the surface, leading to less electron-beam-induced damage. The monolayer structure also greatly affects the amount of electron beam damage. Disordered SAMs, such as nonanethiol adsorbed on Au, undergo more degradation at a given electron dose than ordered SAMs, such as octadecanethiol (ODT) adsorbed on Au. Comparison of the data for undecanethiol (UDT) on conducting GaAs, a disordered SAM, and ODT on semi-insulating GaAs, an ordered SAM, suggests that the detailed 2D monolayer structure plays a more important role than the electrical conductivity of the substrate in determining the extent of electron-beam-induced damage. In addition, differences in the detailed structure of SAMs on Au and GaAs affect the reaction pathways observed. These findings explain previously reported results that much higher electron beam doses are required to damage SAMs on metals compared with SAMs adsorbed on semiconductors and insulators. C1 [Zhou, Chuanzhen; Walker, Amy V.] Washington Univ, Dept Chem, St Louis, MO 63130 USA. [Zhou, Chuanzhen; Walker, Amy V.] Washington Univ, Ctr Mat Innovat, St Louis, MO 63130 USA. [Trionfi, Aaron; Hsu, Julia W. P.] Sandia Natl Labs, Ctr Integrated Nanotechnal, Albuquerque, NM 87185 USA. RP Walker, AV (reprint author), Univ Texas Dallas, Dept Mat Sci & Engn, 800 W Campbell Rd,RL 10, Richardson, TX 75082 USA. EM amy.walker@utdallas.edu RI zhou, chuanzhen/E-8773-2010 FU National Science Foundation; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank J. Reno for providing the semi-insulating GaAs wafer (GaAs I) and E. Vogel for measuring the resistivity of the Au substrates employed in this study. A.V.W. acknowledges the financial support of the National Science Foundation. This work was performed, in part, at the U.S. Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos and Sandia National Laboratories. Sandia National Laboratories 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 No. DE-AC04-94AL85000. NR 43 TC 4 Z9 4 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 27 PY 2010 VL 114 IS 20 BP 9362 EP 9369 DI 10.1021/jp911402u PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 597RD UT WOS:000277776900024 ER PT J AU Jones, KL Adekola, AS Bardayan, DW Blackmon, JC Chae, KY Chipps, KA Cizewski, JA Erikson, L Harlin, C Hatarik, R Kapler, R Kozub, RL Liang, JF Livesay, R Ma, Z Moazen, BH Nesaraja, CD Nunes, FM Pain, SD Patterson, NP Shapira, D Shriner, JF Smith, MS Swan, TP Thomas, JS AF Jones, K. L. Adekola, A. S. Bardayan, D. W. Blackmon, J. C. Chae, K. Y. Chipps, K. A. Cizewski, J. A. Erikson, L. Harlin, C. Hatarik, R. Kapler, R. Kozub, R. L. Liang, J. F. Livesay, R. Ma, Z. Moazen, B. H. Nesaraja, C. D. Nunes, F. M. Pain, S. D. Patterson, N. P. Shapira, D. Shriner, J. F., Jr. Smith, M. S. Swan, T. P. Thomas, J. S. TI The magic nature of Sn-132 explored through the single-particle states of Sn-133 SO NATURE LA English DT Article ID D,P REACTIONS; PB-208 AB Atomic nuclei have a shell structure(1) in which nuclei with 'magic numbers' of neutrons and protons are analogous to the noble gases in atomic physics. Only ten nuclei with the standard magic numbers of both neutrons and protons have so far been observed. The nuclear shell model is founded on the precept that neutrons and protons can move as independent particles in orbitals with discrete quantum numbers, subject to a mean field generated by all the other nucleons. Knowledge of the properties of single-particle states outside nuclear shell closures in exotic nuclei is important(2-5) for a fundamental understanding of nuclear structure and nucleo-synthesis (for example the r-process, which is responsible for the production of about half of the heavy elements). However, as a result of their short lifetimes, there is a paucity of knowledge about the nature of single-particle states outside exotic doubly magic nuclei. Here we measure the single-particle character of the levels in Sn-133 that lie outside the double shell closure present at the short-lived nucleus Sn-132. We use an inverse kinematics technique that involves the transfer of a single nucleon to the nucleus. The purity of the measured single-particle states clearly illustrates the magic nature of Sn-132. C1 [Jones, K. L.; Chae, K. Y.; Kapler, R.; Ma, Z.; Moazen, B. H.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Jones, K. L.; Cizewski, J. A.; Hatarik, R.; Pain, S. D.; Swan, T. P.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. [Adekola, A. S.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. [Bardayan, D. W.; Blackmon, J. C.; Liang, J. F.; Nesaraja, C. D.; Shapira, D.; Smith, M. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Chipps, K. A.; Erikson, L.; Livesay, R.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Harlin, C.; Patterson, N. P.; Swan, T. P.; Thomas, J. S.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Kozub, R. L.; Shriner, J. F., Jr.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. [Nunes, F. M.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Nunes, F. M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. RP Jones, KL (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM kgrzywac@utk.edu RI Jones, Katherine/B-8487-2011; Pain, Steven/E-1188-2011; OI Jones, Katherine/0000-0001-7335-1379; Pain, Steven/0000-0003-3081-688X; Chipps, Kelly/0000-0003-3050-1298; Nesaraja, Caroline/0000-0001-5571-8341 FU US Department of Energy [DEFG02-96ER40995, DE-FG52-03NA00143, DE-AC05-00OR22725, DE-FG02-96ER40990, DE-FG03-93ER40789, DE-FG02-96ER40983, DE-FG52-08NA28552, DE-AC02-06CH11357]; National Science Foundation [NSF-PHY0354870, NSF-PHY0757678, NSF-PHY-0555893]; UK Science and Technology Funding Council [PP/F000715/1] FX This work was supported by the US Department of Energy under contract numbers DEFG02-96ER40995 (Tennessee Technological University (TTU)), DE-FG52-03NA00143 (Rutgers, Oak Ridge Associated Universities), DE-AC05-00OR22725 (Oak Ridge National Laboratory), DE-FG02-96ER40990 (TTU), DE-FG03-93ER40789 (Colorado School of Mines), DE-FG02-96ER40983 (University of Tennessee, Knoxville), DE-FG52-08NA28552 (Michigan State University (MSU)), DE-AC02-06CH11357 (MSU), the National Science Foundation under contract numbers NSF-PHY0354870 and NSF-PHY0757678 (Rutgers) and NSF-PHY-0555893 (MSU), and the UK Science and Technology Funding Council under contract number PP/F000715/1. NR 23 TC 111 Z9 113 U1 2 U2 19 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD MAY 27 PY 2010 VL 465 IS 7297 BP 454 EP 457 DI 10.1038/nature09048 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 601FM UT WOS:000278043700029 PM 20505723 ER PT J AU Lee, JM Prausnitz, JM AF Lee, Jong-Min Prausnitz, John M. TI Polarity and hydrogen-bond-donor strength for some ionic liquids: Effect of alkyl chain length on the pyrrolidinium cation SO CHEMICAL PHYSICS LETTERS LA English DT Article ID DIELS-ALDER REACTION; 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; PHYSICOCHEMICAL PROPERTIES; SOLVENT POLARITIES; TEMPERATURE; PYRIDINIUM; ELECTROLYTES; DYES AB Several ionic liquids were synthesized to investigate the influence of alkyl chain length and functional group attached to the cation on polarity and on three Kamlet-Taft parameters. Results are reported for polarity, dipolarity/polarizability, hydrogen-bond-donating acidity, and hydrogen-bond-accepting basicity in the range 25-65 degrees C. A long alkyl chain (1-octyl) on the pyrrolidinium cation leads to high polarity and high hydrogen-bond-donating acidity. At 25 degrees C, the hydrogen-bond-donating acidity for 1-methyl-1- octyl pyrrolidinium bis(trifluoromethansulfonyl)imide is close to that for water. (C) 2010 Elsevier B.V. All rights reserved. C1 [Lee, Jong-Min] Nanyang Technol Univ, Sch Chem & Biomed Engn, Singapore, Singapore. [Prausnitz, John M.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Prausnitz, John M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Lee, JM (reprint author), 62 Nanyang Dr, Singapore 637459, Singapore. EM jmlee@ntu.edu.sg FU Office for Basic Sciences, US Department of Energy; Nanyang Technological University, SUG FX For financial support, the authors are grateful to the Office for Basic Sciences, US Department of Energy, and to Nanyang Technological University, SUG. NR 23 TC 38 Z9 39 U1 2 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD MAY 26 PY 2010 VL 492 IS 1-3 BP 55 EP 59 DI 10.1016/j.cplett.2010.03.086 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 596WX UT WOS:000277717300011 ER PT J AU Pilath, HM Nimlos, MR Mittal, A Himmel, ME Johnson, DK AF Pilath, Heidi M. Nimlos, Mark R. Mittal, Ashutosh Himmel, Michael E. Johnson, David K. TI Glucose Reversion Reaction Kinetics SO JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY LA English DT Article DE Glucose; cellobiose; glucodisaccharides; glucooligomers; sugar loss; reversion reactions; anhydroglucose; levoglucosan ID LIGNOCELLULOSIC BIOMASS; HIGH-TEMPERATURE; HYDROLYSIS; ACID; THERMODYNAMICS; DISACCHARIDES; CELLULOSE; METHYLGLUCOSIDE; DECOMPOSITION; PRETREATMENT AB The reversion reactions of glucose in mildly acidic aqueous solutions have been studied, and the kinetics of conversion to disaccharides has been modeled. The experiments demonstrate that, at high sugar loadings, up to 12 wt % of the glucose can be converted into reversion products. The reversion products observed are primarily disaccharides; no larger oligosaccharides were observed. Only disaccharides linked to the Cl carbon of one of the glucose residues were observed. The formation of 1,6-linked disaccharides was favored, and a-linked disaccharides were formed at higher concentrations than beta-linked disaccharides. This observation can be rationalized on the basis of steric effects. At temperatures >140 degrees C, the disaccharides reach equilibrium with glucose and the reversion reaction competes with dehydration reactions to form 5-hydroxymethylfurfural. As a result, disaccharide formation reaches a maximum at reaction times <10 min and decreases with time. At temperatures <130 degrees C, disaccharide formation reaches a maximum at reaction times >30 min. As expected, disaccharide formation exhibits a second-order dependence upon glucose concentration. Levoglucosan formation is also observed; because it shows a first-order dependence upon glucose concentration, its formation is more significant at low concentrations (10 mg mL(-1)), whereas disaccharide formation dominates at high concentrations (200 mg mL(-1)). Experiments conducted using glucose and its disaccharides were calibrated with readily available standards. The kinetic parameters for hydrolysis of some glucodisaccharides could be compared to published literature values. From these experiments, the kinetics and activation energies for the reversion reactions have been calculated. The rate parameters can be used to model the formation of the disaccharides as a function of reaction time and temperature. A new and detailed picture of the molecular mechanism of these industrially important reversion reactions has been developed. C1 [Pilath, Heidi M.; Nimlos, Mark R.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Mittal, Ashutosh; Himmel, Michael E.; Johnson, David K.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Pilath, HM (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM heidi.pilath@nrel.gov RI Johnson, David/G-4959-2011; Mittal, Ashutosh/K-3190-2012 OI Johnson, David/0000-0003-4815-8782; NR 22 TC 43 Z9 44 U1 3 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-8561 J9 J AGR FOOD CHEM JI J. Agric. Food Chem. PD MAY 26 PY 2010 VL 58 IS 10 BP 6131 EP 6140 DI 10.1021/jf903598w PG 10 WC Agriculture, Multidisciplinary; Chemistry, Applied; Food Science & Technology SC Agriculture; Chemistry; Food Science & Technology GA 596YN UT WOS:000277721900033 PM 20429509 ER PT J AU Lumsden, MD Christianson, AD AF Lumsden, M. D. Christianson, A. D. TI Magnetism in Fe-based superconductors SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Review ID LAYERED QUATERNARY COMPOUND; HIGH-TEMPERATURE SUPERCONDUCTIVITY; INELASTIC NEUTRON-SCATTERING; SPIN-DENSITY-WAVE; PHASE-DIAGRAM; IRON-PNICTIDES; COMPETING ORDERS; PAIRING SYMMETRY; SUSCEPTIBILITY; EXCITATIONS AB In this review, we present a summary of experimental studies of magnetism in Fe-based superconductors. The doping dependent phase diagram shows strong similarities to the generic phase diagram of the cuprates. Parent compounds exhibit magnetic order together with a structural phase transition, both of which are progressively suppressed with doping, allowing superconductivity to emerge. The stripe-like spin arrangement of Fe moments in the magnetically ordered state shows identical in-plane structure for the RFeAsO (R = rare earth) and AFe(2)As(2) (A = Sr, Ca, Ba, Eu and K) parent compounds, notably different than the spin configuration of the cuprates. Interestingly, Fe(1+y)Te orders with a different spin order despite having very similar Fermi surface topology. Studies of the spin dynamics of the parent compounds show that the interactions are best characterized as anisotropic three-dimensional interactions. Despite the room temperature tetragonal structure, analysis of the low temperature spin waves under the assumption of a Heisenberg Hamiltonian indicates strong in-plane anisotropy with a significant next-nearest-neighbor interaction. For the superconducting state, a resonance, localized in both wavevector and energy, is observed in the spin excitation spectrum as for the cuprates. This resonance is observed at a wavevector compatible with a Fermi surface nesting instability independent of the magnetic ordering of the relevant parent compound. The resonance energy (E(r)) scales with the superconducting transition temperature (T(C)) as E(r) similar to 4.9k(B)T(C), which is consistent with the canonical value of similar to 5k(B)T(C) observed for the cuprates. Moreover, the relationship between the resonance energy and the superconducting gap, Delta, is similar to that observed for many unconventional superconductors (E(r)/2 Delta similar to 0.64). C1 [Lumsden, M. D.; Christianson, A. D.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Lumsden, MD (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM lumsdenmd@ornl.gov; christiansonad@ornl.gov RI christianson, andrew/A-3277-2016; Lumsden, Mark/F-5366-2012 OI christianson, andrew/0000-0003-3369-5884; Lumsden, Mark/0000-0002-5472-9660 FU Scientific User Facilities Division Office of Basic Energy Sciences, DOE FX The authors would like to extend our sincere thanks to all of our collaborators. In particular we thank E Goremychkin, M McGuire, T Maier, D Mandrus, S Nagler, R Osborn, B Sales, A Sefat, and D Singh. We would also like to thank our colleagues who have graciously allowed us to reproduce their work here. Work at ORNL was supported by the Scientific User Facilities Division Office of Basic Energy Sciences, DOE. NR 214 TC 225 Z9 225 U1 9 U2 119 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAY 26 PY 2010 VL 22 IS 20 AR 203203 DI 10.1088/0953-8984/22/20/203203 PG 26 WC Physics, Condensed Matter SC Physics GA 590HG UT WOS:000277215500004 PM 21393702 ER PT J AU Donald, WA Leib, RD Demireva, M Negru, B Neumark, DM Williams, ER AF Donald, William A. Leib, Ryan D. Demireva, Maria Negru, Bogdan Neumark, Daniel M. Williams, Evan R. TI "Weighing" Photon Energies with Mass Spectrometry: Effects of Water on Ion Fluorescence SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID DISSOCIATION; TRAP AB We report a new, highly sensitive method for indirectly measuring fluorescence form ions with a discrete number of water molecules attached. Absorption of a 248 nm photon by hydrated protonated proflavine, PH*(H(2)O)(n) (n = 13-50), results in two resolved product ion distributions that correspond to full internal conversion of the photon energy (loss of similar to 11 water molecules) and to partial internal conversion of the photon energy and emission of a lower energy photon (loss of similar to 6 water molecules). In addition to fluorescence, a long-lived triplet state with a half-life of similar to 0.5 s (for n = 50) is formed. The energy of the emitted photon can be obtained from the number of water molecules lost form the precursor to form each distribution. The photon energies generally red shift form similar to 450 to 580 nm with increasing cluster size (the onset of the PH*(aq) fluorescence spectrum is 600 nm and the maximum is 518 nm) consistent with preferential stabilization of the first excited singlet state versus the ground state. The fluorescence quantum yield of PH*(H(2)O)(n) for n >= 30 is 0.36 +/- 0.02, the same as that in bulk solution, and increases dramatically with decreasing cluster sizes, due to less efficient conversion of electronic-to-vibrational energy. The high sensitivity of this method should make it possible to perform Forster resonance energy transfer experiments with gas-phase biomolecules in a microsolvated environment to investigate how a controlled number of water molecules facilitates dynamical motions in proteins or other molecules of interest. C1 [Donald, William A.; Leib, Ryan D.; Demireva, Maria; Negru, Bogdan; Neumark, Daniel M.; Williams, Evan R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Negru, Bogdan; Neumark, Daniel M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Williams, ER (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM williams@cchem.berkeley.edu RI Williams, Evan/I-3924-2013; Neumark, Daniel/B-9551-2009 OI Neumark, Daniel/0000-0002-3762-9473 FU American Chemical Society [47916-AC6]; National Science Foundation [CHE-0718790]; Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX Acknowledgment is made to the donors of the American Chemical Society Petroleum Research Fund (47916-AC6) for support of this research. The authors thank the National Science Foundation (CHE-0718790) for generous financial support. B.N. and D.M.N. acknowledge support from the Director, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 15 TC 6 Z9 6 U1 1 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 26 PY 2010 VL 132 IS 20 BP 6904 EP + DI 10.1021/ja1022656 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 600PP UT WOS:000277999700019 PM 20438075 ER PT J AU Lei, CH Liu, P Chen, BW Mao, YM Engelmann, H Shin, Y Jaffar, J Hellstrom, I Liu, J Hellstrom, KE AF Lei, Chenghong Liu, Pu Chen, Baowei Mao, Yumeng Engelmann, Heather Shin, Yongsoon Jaffar, Jade Hellstrom, Ingegerd Liu, Jun Hellstrom, Karl Erik TI Local Release of Highly Loaded Antibodies from Functionalized Nanoporous Support for Cancer Immunotherapy SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MESOPOROUS SILICA; PORE-SIZE; ENZYME; CTLA-4; 4-1BB AB We report that antibodies can be spontaneously loaded in functionalized mesoporous silica (FMS) with superhigh density (0.4-0.8 mg of antibody/mg of FMS) due to their comprehensive noncovalent interaction. The superhigh loading density and noncovalent interaction between FMS and antibodies allow long-lasting local release of the immunoregulatory molecules from FMS under physiological conditions. Preliminary data indicate that FMS-anti-CTLA4 antibody injected directly into a mouse melanoma induces much greater and extended inhibition of tumor growth than the antibody given systemically. Our findings open up a novel approach for local delivery of therapeutically active proteins to tumors and, potentially, other diseases. C1 [Lei, Chenghong; Chen, Baowei; Engelmann, Heather; Shin, Yongsoon; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liu, Pu; Mao, Yumeng; Jaffar, Jade; Hellstrom, Ingegerd; Hellstrom, Karl Erik] Univ Washington, Dept Pathol, Harborview Med Ctr, Seattle, WA 98104 USA. RP Lei, CH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM chenghong.lei@pnl.gov; jun.liu@pnl.gov; hellsk@u.washington.edu FU Pacific Northwest National Laboratory (PNNL); Washington Research Foundation; University of Washington Institute of Translational Health Sciences; NIH [R01GM080987, R01CA134487]; U.S. Dept. of Energy [KC020105-FWP12152, DE-AC06-RLO1830] FX This work is supported by the pilot funding programs of Pacific Northwest National Laboratory (PNNL), Washington Research Foundation and University of Washington Institute of Translational Health Sciences, the NIH grants R01GM080987 and R01CA134487, and the U.S. Dept. of Energy BFS Award KC020105-FWP12152. We thank Drs. Mary Disis, Cheryl Baird, and Karin Rodland for helpful discussions and Dr. Nancy Kiviat, Ms. Yuen Yee Yip, and Ms. Kristin D. Victry for facility and experimental support. PNNL is operated for the U.S. Dept. of Energy by Battelle under Contract DE-AC06-RLO1830. NR 17 TC 39 Z9 39 U1 2 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 26 PY 2010 VL 132 IS 20 BP 6906 EP + DI 10.1021/ja102414t PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 600PP UT WOS:000277999700020 PM 20433206 ER PT J AU Tonzetich, ZJ Wang, HX Mitra, D Tinberg, CE Do, LH Jenney, FE Adams, MWW Cramer, SP Lippard, SJ AF Tonzetich, Zachary J. Wang, Hongxin Mitra, Devrani Tinberg, Christine E. Do, Loi H. Jenney, Francis E., Jr. Adams, Michael W. W. Cramer, Stephen P. Lippard, Stephen J. TI Identification of Protein-Bound Dinitrosyl Iron Complexes by Nuclear Resonance Vibrational Spectroscopy SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NITRIC-OXIDE; PYROCOCCUS-FURIOSUS; THIOLATE LIGANDS; 4FE-4S CLUSTERS; SULFUR CLUSTERS; TRANSFORMATION; FERREDOXIN; BIOLOGY; SIGNAL; NRVS AB We have applied (57)Fe nuclear resonance vibrational spectroscopy (NRVS) to identify protein-bound dinitrosyl iron complexes. Intense NRVS peaks due to vibrations of the N-Fe-N unit can be observed between 500 and 700 cm(-1) and are diagnostic indicators of the type of iron dinitrosyl species present. NRVS spectra for four iron dinitrosyl model compounds are presented and used as benchmarks for the identification of species formed in the reaction of Pyrococcus furiosus ferredoxin D14C with nitric oxide. C1 [Mitra, Devrani; Cramer, Stephen P.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [Tonzetich, Zachary J.; Tinberg, Christine E.; Do, Loi H.; Lippard, Stephen J.] MIT, Dept Chem, Cambridge, MA 02139 USA. [Wang, Hongxin; Cramer, Stephen P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Jenney, Francis E., Jr.] GA Campus Philadelphia Coll Osteopath Med, Suwanee, GA 30024 USA. [Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. RP Cramer, SP (reprint author), Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. EM spcramer@lbl.gov; lippard@mit.edu RI Tonzetich, Zachary/G-6020-2010; OI Tonzetich, Zachary/0000-0001-7010-8007 FU NSF [CHE-0611944, CHE-07453535]; NIH [GM65440]; DOE [DE-FG02-05ER15710]; NIGMS [1 F32 GM082031-02, T32 GM08334]; JST [BL09XU] FX This work was funded by grants from the NSF (CHE-0611944 to S.J.L. and CHE-07453535 to S.P.C.), the NIH (GM65440 to S.P.C.), and the DOE (DE-FG02-05ER15710 to M.W.A.). Z.J.T. thanks NIGMS for a postdoctoral fellowship (1 F32 GM082031-02). C.E.T. received partial support under Interdepartmental Training Grant T32 GM08334 from NIGMS. NRVS spectra were measured at SPring-8 BL09XU with the approval of JASRI (Proposal No. 2009A0015) and the help of Dr. Yoshitalca Yoda. The beamline BL09XU was upgraded with the JST (CREST) fund. We also thank Dr. Ilya Sergeev (ESRF) for help with the NRVS of rRRE. NR 26 TC 41 Z9 41 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 26 PY 2010 VL 132 IS 20 BP 6914 EP + DI 10.1021/ja101002f PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 600PP UT WOS:000277999700024 PM 20429508 ER PT J AU Hastings, CJ Pluth, MD Bergman, RG Raymond, KN AF Hastings, Courtney J. Pluth, Michael D. Bergman, Robert G. Raymond, Kenneth N. TI Enzymelike Catalysis of the Nazarov Cyclization by Supramolecular Encapsulation SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID DERIVATIVES; CHEMISTRY; DESIGN; REARRANGEMENT; COMPLEXES; CATIONS; CAVITY; GUESTS; CAGES; RATES AB The water-soluble, self-assembled, tetrahedral assembly K(12)Ga(4)L(6) (L = 1,5-biscatecholamidenaphthalene) catalyzes the Nazarov cyclization of 1,3-pentadienols with extremely high levels of efficiency. The catalyzed reaction proceeds over a million times faster than the background reaction, an increase comparable to those observed in some enzymatic systems. This catalysis operates under aqueous conditions at mild temperatures and pH, and the reaction is halted by the addition of an appropriate inhibitor. This unprecedented rate enhancement is attributed to both the stabilization of protonated reaction intermediates and the effect of constrictive binding on the bound guest. C1 [Bergman, Robert G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; raymond@socrates.berkeley.edu RI Pluth, Michael/A-7222-2012 OI Pluth, Michael/0000-0003-3604-653X FU Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF; Chevron FX We gratefully acknowledge financial support from the Director of the Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract DE-AC02-05CH11231 and through fellowships from the NSF (to M.D.P.) and Chevron (to C.J.H.). The authors thank Lee Bishop, Casey Brown, Jeff Mugridge, and Dr. Carmelo Sgarlatta for helpful discussions. NR 31 TC 152 Z9 152 U1 11 U2 66 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 26 PY 2010 VL 132 IS 20 BP 6938 EP + DI 10.1021/ja102633e PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 600PP UT WOS:000277999700032 PM 20443566 ER PT J AU Custelcean, R Bock, A Moyer, BA AF Custelcean, Radu Bock, Aurelien Moyer, Bruce A. TI Selectivity Principles in Anion Separation by Crystallization of Hydrogen-Bonding Capsules SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID METAL-ORGANIC FRAMEWORK; AQUEOUS-SOLUTION; COORDINATION CHEMISTRY; SOLID-STATE; SULFATE; RECEPTORS; BINDING; RECOGNITION; DESIGN; COMPLEXES AB The fundamental factors controlling anion selectivity in the crystallization of hydrogen-bonding capsules [Mg(H2O)(6)][X subset of L-2] (X = SO42-, 1a; SeO42-, 1b; SO32-, 1c; CO32-, 1d; L = tris[2-(3-pyridylurea)ethyl]-amine) from water have been investigated by solution and solid-state thermodynamic measurements, anion competition experiments, and X-ray structural analysis. The crystal structures of 1a-d are isomorphous, thereby simplifying the interpretation of the observed selectivities based on differences in anion coordination geometries. The solubilities of 1a-d in water follow the order: 1a < 1b < 1c < 1d, which is consistent with the selectivity for the tetrahedral sulfate and selenate anions observed in competitive crystallization experiments. Crystallization of the capsules is highly exothermic, with the most favorable Delta H-cryst degrees of -99.1 and -108.5 kJ/mol corresponding to SO42- and SeO42-, respectively, in agreement with the X-ray structural data showing shape complementarity between these tetrahedral anions and the urea-lined cavities of the capsules. Sulfite, on the other hand, has a significantly less negative Delta H-cryst degrees of 64.6 kJ/mol, which may be attributed to its poor fit inside the capsules, involving repulsive interactions. The more favorable entropy of crystallization for this anion, however, partly offsets the enthalpic disadvantage, resulting in a solubility product very similar to that of the selenate complex. Because of their very similar shape and size, SO42- and SeO42- have a propensity to form solid solutions, which limits the selectivity between these two anions in competitive crystallizations. In the end, a comprehensive picture of contributing factors to anion selectivity in crystalline hydrogen-bonding capsules emerges. C1 [Custelcean, Radu; Bock, Aurelien; Moyer, Bruce A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Custelcean, Radu/C-1037-2009; Moyer, Bruce/L-2744-2016 OI Custelcean, Radu/0000-0002-0727-7972; Moyer, Bruce/0000-0001-7484-6277 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy FX This research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. NR 65 TC 72 Z9 72 U1 4 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 26 PY 2010 VL 132 IS 20 BP 7177 EP 7185 DI 10.1021/ja101354r PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 600PP UT WOS:000277999700057 PM 20438074 ER PT J AU Johnson, TJ Williams, SD Valentine, NB Su, YF AF Johnson, Timothy J. Williams, Stephen D. Valentine, Nancy B. Su, Yin-Fong TI The hydration number n of calcium dipicolinate trihydrate, CaDP center dot nH(2)O, and its effect on the IR spectra of sporulated Bacillus bacteria SO VIBRATIONAL SPECTROSCOPY LA English DT Article; Proceedings Paper CT 5th International Conference on Advanced Vibrational Spectroscopy CY JUL 12-17, 2009 CL Melbourne, AUSTRALIA DE Infrared; Calcium dipicolinate; Bacillus; Bacteria; Endospores ID TRANSFORM INFRARED-SPECTROSCOPY; STATISTICAL-ANALYSIS; MASS-SPECTROMETRY; NITRATE LIGANDS; IDENTIFICATION; SPORES; PYRIDINE-2,6-DICARBOXYLATE; CRYSTAL; COMPLEX; WATER AB Previous results have shown a unique "quartet" of peaks in the infrared spectra of the sporulated phase of Bacillus bacteria, the four peaks being observed reproducibly for many different species of Bacillus endospores. We consistently observe bands at 766, 725, 701, and 659 cm(-1) with the same relative amplitudes, as well as other spore peaks at 1441, 1277, and 1015 cm(-1). We have suggested that the peaks arise from calcium dipicolinate, not the conjugate acid. In this paper we conduct a theoretical and experimental study to show that the IR peaks not only arise from the calcium dipicolinate, a known spore component, but specifically the trihydrate salt, CaDP center dot 3H(2)O. This is shown by calculating the absolute IR frequencies and intensities of the lone dipicolinate dianion, the calcium salt, as well as the mono-, di- and tri-hydrate salts of calcium dipicolinate. The quartet peaks arise from the crystalline trihydrate salt as verified both experimentally and using quantum chemistry methods. When the calculated intensities are not normalized, only the trihydrate spectrum shows low frequency modes (below 1000 cm(-1), including the quartet) having intensities comparable to those of the pyridine ring. The vibrational modes in this region are associated with many internal coordinate motions including contributions from the Ca2+ counterion and the three waters including Ca-O-H bends, H2O-Ca-O torsions and O-C-O bends. (C) 2010 Elsevier B.V. All rights reserved. C1 [Johnson, Timothy J.; Valentine, Nancy B.; Su, Yin-Fong] Pacific NW Natl Lab, Richland, WA 99352 USA. [Williams, Stephen D.] Appalachian State Univ, AR Smith Dept Chem, Boone, NC 28618 USA. RP Johnson, TJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM Timothy.Johnson@pnl.gov NR 36 TC 8 Z9 8 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0924-2031 J9 VIB SPECTROSC JI Vib. Spectrosc. PD MAY 26 PY 2010 VL 53 IS 1 SI SI BP 28 EP 33 DI 10.1016/j.vibspec.2010.02.009 PG 6 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 603WD UT WOS:000278237900007 ER PT J AU Johnson, TJ Profeta, LTM Sams, RL Griffith, DWT Yokelson, RL AF Johnson, Timothy J. Profeta, Luisa T. M. Sams, Robert L. Griffith, David W. T. Yokelson, Robert L. TI An infrared spectral database for detection of gases emitted by biomass burning SO VIBRATIONAL SPECTROSCOPY LA English DT Article; Proceedings Paper CT 5th International Conference on Advanced Vibrational Spectroscopy CY JUL 12-17, 2009 CL Melbourne, AUSTRALIA DE Infrared; Gas-phase spectra; FT-IR; Database; Biomass burning ID FIRE EMISSIONS EXPERIMENT; HYDROGEN-PEROXIDE H2O2; SPECTROSCOPIC DATABASE; MASS-SPECTROMETRY; TROPICAL FOREST; PHASE; INTENSITIES; ATMOSPHERE; VAPOR; ACIDS AB We report the construction of a database of infrared spectra aimed at detecting the gases emitted by biomass burning. The project uses many of the methods of the Pacific Northwest National Laboratory (PNNL) infrared database, but the selection of the species and special experimental considerations are optimized. Each spectrum is a weighted average derived from 10 or more individual measurements. Each composite has a spectral range from <= 600 to >= 6500 cm(-1) with an instrumental apodized resolution of 0.11 cm(-1). The resolution was chosen to bring out all spectral features, but recognizing that pressure broadening at 760 Torr results in essentially all ro-vibrational lines having these or greater linewidths. (C) 2010 Elsevier B.V. All rights reserved. C1 [Johnson, Timothy J.; Profeta, Luisa T. M.; Sams, Robert L.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Griffith, David W. T.] Univ Wollongong, Dept Chem, Wollongong, NSW 2522, Australia. [Yokelson, Robert L.] Univ Montana, Dept Chem, Missoula, MT 59812 USA. RP Johnson, TJ (reprint author), Pacific NW Natl Lab, Mail Stop K8-88, Richland, WA 99352 USA. EM Timothy.Johnson@pnl.gov RI Yokelson, Robert/C-9971-2011 OI Yokelson, Robert/0000-0002-8415-6808 NR 33 TC 30 Z9 31 U1 3 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0924-2031 J9 VIB SPECTROSC JI Vib. Spectrosc. PD MAY 26 PY 2010 VL 53 IS 1 SI SI BP 97 EP 102 DI 10.1016/j.vibspec.2010.02.010 PG 6 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 603WD UT WOS:000278237900018 ER PT J AU Read, DH Martin, JE AF Read, Douglas H. Martin, James E. TI Field-Structured Chemiresistors SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID POLYMER COMPOSITES; CARBON; RESISTIVITY; SENSORS; NETWORK; ARRAYS AB A significantly improved material is developed for application to chemiresistors, which are resistance-based sensors for volatile organic compounds. This material is a polymer composite containing Au-coated magnetic particles organized into electrically conducting pathways by magnetic fields. This improved material overcomes the various problems inherent to conventional carbon-black chemiresistors, while achieving an unprecedented response magnitude. When exposed to chemical vapors, the polymer swells only slightly, yet this is amplified into large, reversible resistance changes, as much as (1 x 10(11))% at a swelling of only 1.5%. These conductor insulator transitions occur over such a narrow range of analyte vapor concentration that these devices can be described as chemical switches. The sensitivity and response range of these sensors can be tailored over a wide range by controlling the stress within the composite, including through the application of a magnetic field. Such tailorable sensors can be used to create sensor arrays that can accurately determine analyte concentration over a broad concentration range, or can be used to create logic circuits that signal a particular chemical environment. C1 [Read, Douglas H.; Martin, James E.] Sandia Natl Labs, Dept Nanomat Sci, Albuquerque, NM 87185 USA. RP Read, DH (reprint author), Sandia Natl Labs, Dept Nanomat Sci, POB 5800, Albuquerque, NM 87185 USA. EM dhread@sandia.gov FU United States Department of Energy [DE-AC04-94AL85000]; Division of Materials Science, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) FX Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. This work was supported by the Division of Materials Science, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). NR 25 TC 11 Z9 12 U1 0 U2 11 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 25 PY 2010 VL 20 IS 10 BP 1577 EP 1584 DI 10.1002/adfm.200902286 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 608PF UT WOS:000278597100005 ER PT J AU Xu, J Park, S Wang, SL Russell, TP Ocko, BM Checco, A AF Xu, Ji Park, Soojin Wang, Shiliu Russell, Thomas P. Ocko, Benjamin M. Checco, Antonio TI Directed Self-Assembly of Block Copolymers on Two-Dimensional Chemical Patterns Fabricated by Electro-Oxidation Nano lithography SO ADVANCED MATERIALS LA English DT Article ID DIBLOCK COPOLYMER; THIN-FILMS; NANOSTRUCTURES; TEMPLATES; ARRAYS; RANGE; SURFACES; ROUTE; GRAPHOEPITAXY AB A hexagonal web of carboxylic-terminated nanostripes (left image, bright areas) is patterned onto a methyl-terminated surface of an octadecyltrichlorosilane monolayer. A thermally annealed polystyrene-block-poly(ethylene oxide) (PS-b-PEO) thin-film, spin-cast on the chemical pattern (right image), exhibits surface normal oriented cylindrical PEO microdomains on the methyl-terminated regions only. These chemical patterns effectively template the order and spatial orientation of diblock-copolymer microdomains. C1 [Xu, Ji; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Ocko, Benjamin M.; Checco, Antonio] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Park, Soojin] Ulsan Natl Inst Sci & Technol, Sch Energy Engn, Ulsan, South Korea. [Wang, Shiliu] Deerfield Acad, Deerfield, MA 01342 USA. RP Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, 120 Governors Dr, Amherst, MA 01003 USA. EM russell@mail.pse.umass.edu; ocko@bnl.gov; checco@bnl.gov RI Park, Soojin/E-5899-2010 FU MRSEC (Materials Research Science and Engineering Center); Department of Energy Basic Energy Science; FENA (Center on Functional Engineered Nano Architechtonics); WCU; U.S. Department of Energy, Division of Materials Science [DE-AC02-98CH10886] FX The authors are grateful to Qijun Xiao for help with SEM measurements. The work at the University of Massachusetts is supported by the MRSEC (Materials Research Science and Engineering Center) (X.), the Department of Energy Basic Energy Science (T.P.R.), FENA (Center on Functional Engineered Nano Architechtonics) (S.P.), and the WCU program. Work at Brookhaven National Laboratory is supported by the U.S. Department of Energy, Division of Materials Science, under contract no. DE-AC02-98CH10886. Supporting Information is available online from Wiley InterScience or from the authors. NR 33 TC 44 Z9 45 U1 9 U2 62 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD MAY 25 PY 2010 VL 22 IS 20 BP 2268 EP + DI 10.1002/adma.200903640 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 612IK UT WOS:000278890700007 PM 20376818 ER PT J AU Ban, CM Wu, ZC Gillaspie, DT Chen, L Yan, YF Blackburn, JL Dillon, AC AF Ban, Chunmei Wu, Zhuangchun Gillaspie, Dane T. Chen, Le Yan, Yanfa Blackburn, Jeffrey L. Dillon, Anne C. TI Nanostructured Fe3O4/SWNT Electrode: Binder-Free and High-Rate Li-Ion Anode SO ADVANCED MATERIALS LA English DT Article ID NEGATIVE-ELECTRODE; NANOTUBE MATERIALS; CARBON NANOTUBES; PARTICLE-SIZE; LITHIUM; BATTERIES; PERFORMANCE; STORAGE; ALPHA-FE2O3; CAPACITY AB Utilizing Fe3O4 nanorods as the active Li+ storage material and 5 wt% carbon single-walled nanotubes (SWNTs) as a "conductive net," a Li-ion anode with a high reversible capacity of 1000 mAh g(-1) (similar to 2000 mAh cm(-3)) at C rate is demonstrated. The electrodes exhibit high-rate capability and stable capacities of 800 mAh g(-1) at 5C and similar to 600 mAh g(-1) at 10C. C1 [Ban, Chunmei; Wu, Zhuangchun; Gillaspie, Dane T.; Blackburn, Jeffrey L.; Dillon, Anne C.] Natl Renewable Energy Lab, Mat & Chem Sci Ctr, Golden, CO 80401 USA. [Chen, Le; Yan, Yanfa] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. RP Dillon, AC (reprint author), Natl Renewable Energy Lab, Mat & Chem Sci Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. EM Anne.Dillon@nrel.go RI Wu, Zhuangchun/C-9252-2011; Blackburn, Jeffrey/D-7344-2012; Wei, Zhanhua/D-7544-2013; wu, zhuangchun/E-8046-2012 OI Wei, Zhanhua/0000-0003-2687-0293; wu, zhuangchun/0000-0003-3362-0882 FU U.S. Department of Energy [DE-AC36-08GO28308] FX C. Ban and Z. Wu contributed equally to experimental and scientific development. D. T. Gillaspie contributed to the electrochemical testing and scientific development. L. Chen and Y. Yan performed the SEM imaging. J. L. Blackburn contributed to SWNT synthesis. A. C. Dillon performed Raman spectroscopy and supervised the work. This work was funded by the U.S. Department of Energy under subcontract number DE-AC36-08GO28308 through the DOE Office of Energy Efficiency and Renewable Energy Office of the Vehicle Technologies Program. We thank Professor Mildred S. Dresselhaus for useful discussions regarding the Raman spectroscopy and Alfred Hicks for the color-enhanced SEM images. NR 26 TC 352 Z9 355 U1 32 U2 434 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD MAY 25 PY 2010 VL 22 IS 20 BP E145 EP + DI 10.1002/adma.200904285 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 612IK UT WOS:000278890700014 PM 20440701 ER PT J AU Lai, W Erdonmez, CK Marinis, TF Bjune, CK Dudney, NJ Xu, F Wartena, R Chiang, YM AF Lai, Wei Erdonmez, Can K. Marinis, Thomas F. Bjune, Caroline K. Dudney, Nancy J. Xu, Fan Wartena, Ryan Chiang, Yet-Ming TI Ultrahigh-Energy-Density Microbatteries Enabled by New Electrode Architecture and Micropackaging Design SO ADVANCED MATERIALS LA English DT Article ID ALUMINUM TITANATE CERAMICS; LITHIUM-ION BATTERIES; RECHARGEABLE BATTERIES; THERMAL-EXPANSION; CAPACITY; CATHODES; LICOO2; TRANSITION; DIFFUSION; LIXCOO2 AB Monolithic cathodes of optimized porosity prepared by sintering LiCoO(2) powders provide high volume utilization and surprising stability under electrochemical cycling. Combined with a novel packaging approach, ultrahigh energy densities in small volumes are enabled. The microbatteries have volumes <6 mm(3) and provide sustained similar to 2.5 h discharges with energy densities of 400-650 W h L(-1). C1 [Lai, Wei; Erdonmez, Can K.; Wartena, Ryan; Chiang, Yet-Ming] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Marinis, Thomas F.; Bjune, Caroline K.] Charles Stark Draper Lab Inc, Cambridge, MA 02139 USA. [Dudney, Nancy J.; Xu, Fan] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Chiang, YM (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM ychiang@mit.edu RI Lai, Wei/E-8942-2011; Dudney, Nancy/I-6361-2016 OI Lai, Wei/0000-0002-9258-5573; Dudney, Nancy/0000-0001-7729-6178 FU DARPA [HR0011-07-1-0006] FX W. L. and C. K. E. contributed equally to this work. This work was supported by DARPA contract HR0011-07-1-0006. Supporting Information is available online from Wiley InterScience or from the author. NR 32 TC 55 Z9 55 U1 6 U2 95 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD MAY 25 PY 2010 VL 22 IS 20 BP E139 EP + DI 10.1002/adma.200903650 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 612IK UT WOS:000278890700013 PM 20301129 ER PT J AU Hall, RS Agarwal, R Hitchcock, D Sauder, JM Burley, SK Swaminathan, S Raushel, FM AF Hall, Richard S. Agarwal, Rakhi Hitchcock, Daniel Sauder, J. Michael Burley, Stephen K. Swaminathan, Subramanyam Raushel, Frank M. TI Discovery and Structure Determination of the Orphan Enzyme Isoxanthopterin Deaminase SO BIOCHEMISTRY LA English DT Article ID AMIDOHYDROLASE SUPERFAMILY; FUNCTIONAL ANNOTATION; UNKNOWN FUNCTION; REFINEMENT; PTERIDINES; PATHWAY; MEMBER AB Two previously uncharacterized proteins have been identified that efficiently catalyze the deamination of isoxanthopterin and pterin 6-carboxylate. The genes encoding these two enzymes, NYSGXRC-9339a (gi vertical bar 44585104) and NYSGXRC-9236b (gi vertical bar 44611670), were first identified from DNA isolated from the Sargasso Sea as part of the Global Ocean Sampling Project. The genes were synthesized, and the proteins were subsequently expressed and purified. The X-ray structure of Sgx9339a was determined at 2.7 angstrom resolution (Protein Data Bank entry 2PAJ). This protein folds as a distorted (beta/alpha)(8) barrel and contains a single zinc ion in the active site. These enzymes are members of the amidohydrolase superfamily and belong to cog0402 within the clusters of orthologous groups (COG). Enzymes in cog0402 have previously been shown to catalyze the deamination of guanine, cytosine, S-adenosylhomocysteine, and 8-oxoguanine. A small compound library of pteridines, purines, and pyrimidines was used to probe catalytic activity. The only substrates identified in this search were isoxanthopterin and pterin 6-carboxylate. The kinetic constants for the deamination of isoxanthopterin with Sgx9339a were determined to be 1.0 s(-1), 8.0 mu M, and 1.3 x 10 M(-1) s(-1) (k(cat), K(m), and k(cat)/K(m), respectively). The active site of Sgx9339a most closely resembles the active site for 8-oxoguanine deaminase (Protein Data Bank entry 2UZ9). A model for substrate recognition of isoxanthopterin by Sgx9339a was proposed on the basis of the binding of guanine and xanthine in the active site of guanine deaminase. Residues critical for substrate binding appear to be conserved glutamine and tyrosine residues that form hydrogen bonds with the carbonyl oxygen at C4, a conserved threonine residue that forms hydrogen bonds with N5, and another conserved threonine residue that forms hydrogen bonds with the carbonyl group at C7. These conserved active site residues were used to identify 24 other genes which are predicted to deaminate isoxanthopterin. C1 [Hall, Richard S.; Raushel, Frank M.] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. [Hitchcock, Daniel; Raushel, Frank M.] Texas A&M Univ, Dept Biochem & Biophys, College Stn, TX 77843 USA. [Agarwal, Rakhi; Swaminathan, Subramanyam] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Sauder, J. Michael; Burley, Stephen K.] Lilly Biotechnol Ctr, San Diego, CA 92121 USA. RP Raushel, FM (reprint author), Texas A&M Univ, Dept Chem, POB 30012, College Stn, TX 77842 USA. EM swami@bnl.gov; raushel@tamu.edu RI Raushel, Frank/B-7125-2015 OI Raushel, Frank/0000-0002-5918-3089 FU National Institutes of Health [GM 71790, GM 74945] FX This work was supported in part by the National Institutes of Health (Grants GM 71790 and GM 74945). NR 34 TC 11 Z9 12 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD MAY 25 PY 2010 VL 49 IS 20 BP 4374 EP 4382 DI 10.1021/bi100252s PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 595YD UT WOS:000277649200009 PM 20415463 ER PT J AU Sha, J Lee, JK Kang, SH Prabhu, VM Soles, CL Bonnesen, PV Ober, CK AF Sha, Jing Lee, Jin-Kyun Kang, Shuhui Prabhu, Vivek M. Soles, Christopher L. Bonnesen, Peter V. Ober, Christopher K. TI Architectural Effects on Acid Reaction-Diffusion Kinetics in Molecular Glass Photoresists SO CHEMISTRY OF MATERIALS LA English DT Article ID CHEMICALLY AMPLIFIED PHOTORESISTS; RESIST COMPONENTS; REACTION FRONT; RESOLUTION AB Understanding acid reaction-diffusion kinetics is crucial for controlling the lithographic performance of chemically amplified photoresists. In this work, we study how the molecular architectures of positive-tone chemically amplified molecular glass resists affect the acid reaction-diffusion kinetics during the post-expose bake (PEB) or annealing step. We compare the acid reaction-diffusion kinetics of a common photoacid generator in molecular glass resists with chemical similarity to poly(4-hydroxystyrene), and that are designed with branched and ring architectures. In situ Fourier transform infrared (FTIR) spectroscopy methods are used to measure reaction rate, acid trapping behavior, and acid diffusivity as a function of PE B temperature. We find that the acid reaction-diffusion kinetics in molecular glass resists is correlated to the film molar density that in turn depends on the architecture of the molecular glass molecules. These results allow modeling of the latent image formation in molecular glass resists that is critical for pattern feature resolution and line ethic roughness. A comparison between experimentally measured and theoretically predicted diffusion lengths in one molecular glass resist system was made. Because little is understood of the fundamentals of acid diffusion in this class of molecular glass resists, this paper provides critical insight into the molecular design of next-generation photoresists for high-resolution lithography. C1 [Kang, Shuhui; Prabhu, Vivek M.; Soles, Christopher L.] Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA. [Sha, Jing; Lee, Jin-Kyun; Ober, Christopher K.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Bonnesen, Peter V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Prabhu, VM (reprint author), Natl Inst Stand & Technol, Div Polymers, 100 Bur Dr, Gaithersburg, MD 20899 USA. EM vprabhu@nist.gov; cko3@cornell.edu RI Bonnesen, Peter/A-1889-2016 OI Bonnesen, Peter/0000-0002-1397-8281 FU National Science Foundation [DMR-0518785]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors acknowledge Cornell Nanoscale Science and Technology Facility (CNF) and Cornell Center for Materials Research (CCMR) for use of facilitites. The National Science Foundation (Grant DMR-0518785) is acknowledged for partial support of this work. The portion of this research carried out 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 38 TC 9 Z9 11 U1 2 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 25 PY 2010 VL 22 IS 10 BP 3093 EP 3098 DI 10.1021/cm9038939 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 595TC UT WOS:000277635000011 ER PT J AU Feng, H Elam, JW Libera, JA Setthapun, W Stair, PC AF Feng, Hao Elam, Jeffrey W. Libera, Joseph A. Setthapun, Worajit Stair, Peter C. TI Palladium Catalysts Synthesized by Atomic Layer Deposition for Methanol Decomposition SO CHEMISTRY OF MATERIALS LA English DT Article ID SUPPORTED PD-CATALYSTS; LOW-TEMPERATURE; HYDROGEN-PRODUCTION; MESOPOROUS SILICA; SYNTHESIS GAS; PLATINUM; HYDROTALCITE; KINETICS; ALUMINA; GROWTH AB Atomic layer deposition (ALD) palladium films were deposited at 200 degrees C on various ALD metal oxide surfaces using sequential exposures to Pd(II) hexafluoroacetylacetonate (Pd(hfac)(2)) and formalin. In situ quartz crystal microbalance measurements as well as ex situ measurements performed on planar substrates revealed that the Pd growth begins with a relatively slow nucleation process and accelerates once an adequate amount of Pd has deposited on the surface. Furthermore, the Pd nucleation is faster on ALD ZnO surfaces compared to ALD Al(2)O(3) surfaces. ALD was utilized to synthesize highly dispersed, uniform Pd nanoparticles (1 to 2 nm in diameter) on ALD ZnO and Al(2)O(3) coated mesoporous silica gel, and the catalytic performances of these samples were compared in the methanol decomposition reaction. The ALD Pd-Al(2)O(3) showed high activity and hydrogen selectivity at relatively low temperatures while the ALD Pd-ZnO showed very low activity as well as quick deactivation. In situ extended X-ray absorption line structure (EXAFS) measurement revealed that the Pd supported on ZnO "dissolves" into the substrate during the methanol decomposition reaction which accounts for the gradual disappearance of its catalytic activity. By applying one cycle of ALD Al(2)O(3) on top of the Pd-ZnO catalyst, the activity was enhanced and the catalyst deactivation was mitigated. This Al(2)O(3) overcoating method stabilizes the Pd-ZnO and effectively prevents the dissolution of Pd into the ZnO substrate. C1 [Elam, Jeffrey W.; Libera, Joseph A.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Feng, Hao; Setthapun, Worajit; Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Stair, Peter C.] Northwestern Univ, Dept Chem, Evanston, IL 60201 USA. [Stair, Peter C.] Northwestern Univ, Ctr Catalysis & Surface Sci, Evanston, IL 60201 USA. RP Elam, JW (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jelam@anl.gov RI ID, MRCAT/G-7586-2011 NR 42 TC 73 Z9 74 U1 10 U2 79 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 25 PY 2010 VL 22 IS 10 BP 3133 EP 3142 DI 10.1021/cm100061n PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 595TC UT WOS:000277635000016 ER PT J AU Wang, C Yin, HF Dai, S Sun, SH AF Wang, Chao Yin, Hongfeng Dai, Sheng Sun, Shouheng TI A General Approach to Noble Metal-Metal Oxide Dumbbell Nanoparticles and Their Catalytic Application for CO Oxidation SO CHEMISTRY OF MATERIALS LA English DT Article ID ONE-POT SYNTHESIS; SUPPORTED AU CATALYSTS; GOLD NANOPARTICLES; OXYGEN REDUCTION; CARBON-MONOXIDE; NANOCRYSTALS; TITANIA; GROWTH; SUPERLATTICES; HETERODIMERS AB Heterogeneous dumbbell-like nanoparticles represent an important type of composite nanomaterial that has attracted growing interest. Here we report a general approach to noble metal metal oxide dumbbell nanoparticles based on seed-mediated growth. Metal oxides are grown over the presynthesized noble metal seeds by thermal decomposition of metal carbonyl followed by oxidation in air. The as-synthesized dumbbell nanoparticles have intrinsic epitaxial linkage between the metal and the oxide, providing enhanced heterojunction interactions. Moreover, the properties of one component are readily modified by the other in these nanoparticles, as demonstrated by the enhanced catalytic activity toward CO oxidation of such dumbbell nanoparticles in comparison with their counterparts prepared by conversional methods. The heterojunction effects provided in such nanostructures thus offer another degree of freedom for tailoring, material properties. The developed synthetic strategy could also be generalized to other systems and thus represent a general approach to heterogeneous nanomaterials for various functional applications. C1 [Wang, Chao; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Yin, Hongfeng; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Wang, C (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chaowang@anl.gov; ssun@brown.edu RI Wang, Chao/F-4558-2012; Dai, Sheng/K-8411-2015 OI Wang, Chao/0000-0001-7398-2090; Dai, Sheng/0000-0002-8046-3931 NR 50 TC 139 Z9 140 U1 14 U2 126 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 25 PY 2010 VL 22 IS 10 BP 3277 EP 3282 DI 10.1021/cm100603r PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 595TC UT WOS:000277635000034 ER PT J AU Haag, JM Barnett, SA Richardson, JW Poeppelmeier, KR AF Haag, Jacob M. Barnett, Scott A. Richardson, James W., Jr. Poeppelmeier, Kenneth R. TI Structural and Chemical Evolution of the SOFC Anode La0.30Sr0.70Fe0.70Cr0.30O3-delta upon Reduction and Oxidation: An in Situ Neutron Diffraction Study SO CHEMISTRY OF MATERIALS LA English DT Article ID OXIDE FUEL-CELL; ELECTRICAL-CONDUCTIVITY; MAGNETIC-STRUCTURES; POWDER DIFFRACTION; PHASE-TRANSITION; TEMPERATURE; PEROVSKITES; ATMOSPHERE; STABILITY; KINETICS AB Although some perovskite oxides have been shown to be stable solid oxide fuel cell (SOFC) anodes, the actual crystal structure of these materials under operating conditions is largely unknown. In this paper, the structural evolution or the SOFC anode La0.30Sr0.70Fe0.70Cr0.30O3-delta was studied at 800 and 900 degrees C (similar to SOFC operating temperatures) in progressively reducimg and oxidizing environments. The perovskite was shown to be stable down to a pO(2) of 10(-20) atm at 800 degrees C and a pO(2) of 10(-18) atm at 900 degrees C, at which point a spinel phase formed. Further reduction led to the formation of Fe metal. The phase separation of La0.30Sr0.70Fe0.70Cr0.30O3-delta was also shown to be completely reversible with an increase in the partial oxygen pressure and reoxidation of the sample. C1 [Haag, Jacob M.; Poeppelmeier, Kenneth R.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Barnett, Scott A.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Richardson, James W., Jr.] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Poeppelmeier, KR (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM krp@northwestern.edu RI Barnett, Scott/B-7502-2009 NR 27 TC 17 Z9 17 U1 1 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 25 PY 2010 VL 22 IS 10 BP 3283 EP 3289 DI 10.1021/cm100609e PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 595TC UT WOS:000277635000035 ER PT J AU Ranjan, R Pantano, C Fischer, P AF Ranjan, R. Pantano, C. Fischer, P. TI Direct simulation of turbulent swept flow over a wire in a channel SO JOURNAL OF FLUID MECHANICS LA English DT Article ID BACKWARD-FACING STEP; DIRECT NUMERICAL-SIMULATION; LARGE-EDDY SIMULATION; DETACHED BOUNDARY-LAYERS; NEAR-WALL REGION; SEPARATION BUBBLE; SHEAR-LAYER; COHERENT STRUCTURES; REYNOLDS-NUMBER; HEAT-TRANSFER AB Turbulent swept flow over a cylindrical wire placed on a wall of a channel is investigated using direct numerical simulations. This geometry is a model of the flow through the wire-wrapped fuel pins, the heat exchanger, typical of many nuclear reactor designs. Mean flow along and across the wire axis is imposed, leading to the formation of separated flow regions. The Reynolds number based on the bulk velocity along the wire axis direction and the channel half height is 5400 and four cases are simulated with different flowrates across the wire. This configuration is topologically similar to backward-facing steps or slots with swept flow, except that the dominant flow is along the obstacle axis in the present study and the crossflow is smaller than the axial flow, i.e. the sweep angle is large. Mean velocities, turbulence statistics, wall shear stress and instantaneous flow structures are investigated. Particular attention is devoted to the statistics of the shear stress on the walls of the channel and the wire in the recirculation zone. The flow around the mean reattachment region, at the termination of the recirculating bubble, does not exhibit the typical decay of the mean shear stress observed in classical backward-facing step flows owing to the presence of a strong axial flow. The evolution of the mean wall shear stress angle after reattachment indicates that the flow recovers towards equilibrium at a rather slow rate, which decreases with sweep angle. Finally, the database is analysed to estimate resolution requirements, in particular around the recirculation zones, for large-eddy simulations. This has implications in more complete geometrical models of a wire-wrapped assembly, involving hundreds of fuel pins, where only turbulence modelling can be afforded computationally. C1 [Ranjan, R.; Pantano, C.] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA. [Fischer, P.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Ranjan, R (reprint author), Univ Illinois, Dept Mech Sci & Engn, 1206 W Green St, Urbana, IL 61801 USA. EM rranjan2@illinois.edu RI Pantano, Carlos/B-7571-2009; Ranjan, Reetesh/H-3160-2012 NR 75 TC 6 Z9 6 U1 0 U2 4 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD MAY 25 PY 2010 VL 651 BP 165 EP 209 DI 10.1017/S0022112009993958 PG 45 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 603ML UT WOS:000278212600008 ER PT J AU Tomasi, D Volkow, ND Wang, RL Carrillo, JH Maloney, T Alia-Klein, N Woicik, PA Telang, F Goldstein, RZ AF Tomasi, Dardo Volkow, Nora D. Wang, Ruiliang Carrillo, Jean H. Maloney, Thomas Alia-Klein, Nelly Woicik, Patricia A. Telang, Frank Goldstein, Rita Z. TI Disrupted Functional Connectivity with Dopaminergic Midbrain in Cocaine Abusers SO PLOS ONE LA English DT Article ID MEDIAL PREFRONTAL CORTEX; EMOTION-INDUCED CHANGES; WORKING-MEMORY; HUMAN BRAIN; COGNITIVE IMPAIRMENT; ACTIVATION PATTERNS; ANTERIOR CINGULATE; ADDICTION; TASK; ATTENTION AB Background: Chronic cocaine use is associated with disrupted dopaminergic neurotransmission but how this disruption affects overall brain function ( other than reward/motivation) is yet to be fully investigated. Here we test the hypothesis that cocaine addicted subjects will have disrupted functional connectivity between the midbrain ( where dopamine neurons are located) and cortical and subcortical brain regions during the performance of a sustained attention task. Methodology/Principal Findings: We measured brain activation and functional connectivity with fMRI in 20 cocaine abusers and 20 matched controls. When compared to controls, cocaine abusers had lower positive functional connectivity of midbrain with thalamus, cerebellum, and rostral cingulate, and this was associated with decreased activation in thalamus and cerebellum and enhanced deactivation in rostral cingulate. Conclusions/Significance: These findings suggest that decreased functional connectivity of the midbrain interferes with the activation and deactivation signals associated with sustained attention in cocaine addicts. C1 [Tomasi, Dardo; Volkow, Nora D.; Telang, Frank] NIAAA, NIH, Bethesda, MD USA. [Volkow, Nora D.] Natl Inst Drug Abuse, NIH, Bethesda, MD USA. [Wang, Ruiliang; Carrillo, Jean H.; Maloney, Thomas; Alia-Klein, Nelly; Woicik, Patricia A.; Goldstein, Rita Z.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Carrillo, Jean H.] SUNY Stony Brook, Dept Comp Sci, Stony Brook, NY 11794 USA. RP Tomasi, D (reprint author), NIAAA, NIH, Bethesda, MD USA. EM tomasi@bnl.gov RI Tomasi, Dardo/J-2127-2015 FU U.S. Department of Energy; National Institutes of Health [GCRC 5-MO1-RR-10710]; National Institute on Alcohol Abuse and Alcoholism [2RO1AA09481, R01AA09481, Y1AA3009]; National Institute on Drug Abuse [1R01DA023579, R21DA02062] FX U.S. Department of Energy (Office of Biological and Environmental Research), the National Institutes of Health (GCRC 5-MO1-RR-10710), the National Institute on Alcohol Abuse and Alcoholism (2RO1AA09481, R01AA09481 and Y1AA3009) and the National Institute on Drug Abuse (1R01DA023579 and R21DA02062). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 57 TC 59 Z9 59 U1 0 U2 5 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 25 PY 2010 VL 5 IS 5 AR e10815 DI 10.1371/journal.pone.0010815 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 601CE UT WOS:000278034800012 PM 20520835 ER PT J AU Nair, S Stockert, O Witte, U Nicklas, M Schedler, R Kiefer, K Thompson, JD Bianchi, AD Fisk, Z Wirth, S Steglich, F AF Nair, Sunil Stockert, O. Witte, U. Nicklas, M. Schedler, R. Kiefer, K. Thompson, J. D. Bianchi, A. D. Fisk, Z. Wirth, S. Steglich, F. TI Magnetism and superconductivity driven by identical 4f states in a heavy-fermion metal SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE strongly correlated electron systems; antiferromagnetism ID TEMPERATURE SUPERCONDUCTOR; SPIN; EXCITATIONS; CECOIN5 AB The apparently inimical relationship between magnetism and superconductivity has come under increasing scrutiny in a wide range of material classes, where the free energy landscape conspires to bring them in close proximity to each other. Particularly enigmatic is the case when these phases microscopically interpenetrate, though the manner in which this can be accomplished remains to be fully comprehended. Here, we present combined measurements of elastic neutron scattering, magnetotransport, and heat capacity on a prototypical heavy fermion system, in which antiferromagnetism and superconductivity are observed. Monitoring the response of these states to the presence of the other, as well as to external thermal and magnetic perturbations, points to the possibility that they emerge from different parts of the Fermi surface. Therefore, a single 4f state could be both localized and itinerant, thus accounting for the coexistence of magnetism and superconductivity. C1 [Bianchi, A. D.; Fisk, Z.] Univ Calif Irvine, Irvine, CA 92697 USA. [Nair, Sunil; Stockert, O.; Nicklas, M.; Wirth, S.; Steglich, F.] Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany. [Witte, U.] Tech Univ Dresden, Inst Festkorperphys, D-01062 Dresden, Germany. [Witte, U.; Schedler, R.; Kiefer, K.] Helmholtz Zentrum Berlin Mat & Energie, D-14109 Berlin, Germany. [Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fisk, Z (reprint author), Univ Calif Irvine, Irvine, CA 92697 USA. EM wirth@cpfs.mpg.de RI Bianchi, Andrea/E-9779-2010; Nair, Sunil/E-5279-2011; Nicklas, Michael/B-6344-2008; Kiefer, Klaus/J-3544-2013 OI Bianchi, Andrea/0000-0001-9340-6971; Nicklas, Michael/0000-0001-6272-2162; Kiefer, Klaus/0000-0002-5178-0495 FU Deutsche Forschungsgemeinschaft (DFG); National Science Foundation (NSF)-Division of Materials Research (DMR) [071042]; Department of Energy, Office of Science FX This work was partially supported by the Deutsche Forschungsgemeinschaft (DFG) Research Unit 960 "Quantum Phase Transitions." Z.F. acknowledges support through National Science Foundation (NSF)-Division of Materials Research (DMR)-071042. Work at Los Alamos National Laboratory was performed under the auspices of the Department of Energy, Office of Science. NR 23 TC 21 Z9 21 U1 0 U2 10 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 25 PY 2010 VL 107 IS 21 BP 9537 EP 9540 DI 10.1073/pnas.1004958107 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 601JP UT WOS:000278054700013 PM 20457945 ER PT J AU Yu, W France, DM Timofeeva, EV Singh, D Routbort, JL AF Yu, W. France, D. M. Timofeeva, E. V. Singh, D. Routbort, J. L. TI Thermophysical property-related comparison criteria for nanofluid heat transfer enhancement in turbulent flow SO APPLIED PHYSICS LETTERS LA English DT Article AB Heat transfer enhancement criteria for nanofluids over their base fluids are presented based on three separate considerations: Reynolds number, flow velocity, and pumping power. Analyses presented show that, among the three comparisons, the constant pumping power comparison is the most unambiguous; the constant flow velocity comparison can be quite reasonable under certain conditions but the constant Reynolds number comparison (the most commonly used in the engineering literature for nanofluids) distorts the physical situation, and therefore, should not be used. (C) 2010 American Institute of Physics. [doi:10.1063/1.3435487] C1 [Yu, W.; France, D. M.; Timofeeva, E. V.; Singh, D.; Routbort, J. L.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Yu, W (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM wyu@anl.gov RI Timofeeva, Elena/E-6391-2010; OI Timofeeva, Elena V./0000-0001-7839-2727 FU U.S. Department of Energy FX This work was sponsored by the U.S. Department of Energy. NR 8 TC 44 Z9 44 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 24 PY 2010 VL 96 IS 21 AR 213109 DI 10.1063/1.3435487 PG 3 WC Physics, Applied SC Physics GA 603BP UT WOS:000278183200062 ER PT J AU Zhong, J Song, L Chiou, JW Dong, CL Liang, XQ Chen, DL Xie, SS Pong, WF Chang, CL Guo, JH Wu, ZY AF Zhong, Jun Song, Li Chiou, Jauwern Dong, Chungli Liang, Xianqing Chen, Dongliang Xie, Sishen Pong, Way-Faung Chang, Chinglin Guo, Jinghua Wu, Ziyu TI Electronic structure study of Li+/OH- modified single-walled carbon nanotubes by soft-x-ray absorption and resonant emission spectroscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID FUNCTIONAL-GROUPS; GRAPHITE; FLUORESCENCE AB Li+ and OH- modified single-walled carbon nanotubes (SWNTs) treated with the LiOH water solution have been investigated by soft-x-ray absorption and resonant emission spectroscopy. A reconstruction of the band structure after hydroxyl modification and intensity changes between pi and sigma states in the resonant emission spectra are presented and discussed. A charge transfer induced valence state near Fermi level has been detected at the resonant excitation energy of 285.5 eV, which indicates the tuning of electronic properties of SWNTs by Li+ adsorption. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3441027] C1 [Zhong, Jun; Chiou, Jauwern; Dong, Chungli; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Zhong, Jun; Liang, Xianqing; Chen, Dongliang; Wu, Ziyu] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Song, Li; Xie, Sishen] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China. [Chiou, Jauwern] Natl Univ Kaohsiung, Dept Appl Phys, Kaohsiung 81148, Taiwan. [Dong, Chungli] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. [Pong, Way-Faung; Chang, Chinglin] Tamkang Univ, Dept Phys, Tamsui 251, Taiwan. [Wu, Ziyu] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Wu, Ziyu] Chinese Acad Sci, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China. RP Guo, JH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. EM jguo@lbl.gov; wuzy@ustc.edu.cn RI Song, Li/B-1950-2010; OI Song, Li/0000-0003-0585-8519; Chang, Ching-Lin/0000-0001-8547-371X FU National Outstanding Youth Fund [10125523]; Chinese Academy of Sciences [KJCX2-YW-N42]; National Natural Science Foundation of China [10805054]; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was partly supported by the National Outstanding Youth Fund (Project No. 10125523 to Z.W.) and by the Knowledge Innovation Program of the Chinese Academy of Sciences (Grant No. KJCX2-YW-N42). J. Zhong acknowledges the National Natural Science Foundation of China (Grant No. 10805054). The work at ALS is supported by the U.S. Department of Energy under the Contract No. DE-AC02-05CH11231. NR 20 TC 7 Z9 8 U1 1 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 24 PY 2010 VL 96 IS 21 AR 213112 DI 10.1063/1.3441027 PG 3 WC Physics, Applied SC Physics GA 603BP UT WOS:000278183200065 ER PT J AU Park, S Baker, JO Himmel, ME Parilla, PA Johnson, DK AF Park, Sunkyu Baker, John O. Himmel, Michael E. Parilla, Philip A. Johnson, David K. TI Cellulose crystallinity index: measurement techniques and their impact on interpreting cellulase performance SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article ID X-RAY-DIFFRACTION; ENZYMATIC-HYDROLYSIS; MICROCRYSTALLINE CELLULOSE; KRAFT PULP; THERMOMONOSPORA-FUSCA; PHOSPHORIC-ACID; PARTICLE-SIZE; FIBERS; NMR; WOOD AB Although measurements of crystallinity index (CI) have a long history, it has been found that CI varies significantly depending on the choice of measurement method. In this study, four different techniques incorporating X-ray diffraction and solid-state (13)C nuclear magnetic resonance (NMR) were compared using eight different cellulose preparations. We found that the simplest method, which is also the most widely used, and which involves measurement of just two heights in the X-ray diffractogram, produced significantly higher crystallinity values than did the other methods. Data in the literature for the cellulose preparation used (Avicel PH-101) support this observation. We believe that the alternative X-ray diffraction (XRD) and NMR methods presented here, which consider the contributions from amorphous and crystalline cellulose to the entire XRD and NMR spectra, provide a more accurate measure of the crystallinity of cellulose. Although celluloses having a high amorphous content are usually more easily digested by enzymes, it is unclear, based on studies published in the literature, whether CI actually provides a clear indication of the digestibility of a cellulose sample. Cellulose accessibility should be affected by crystallinity, but is also likely to be affected by several other parameters, such as lignin/hemicellulose contents and distribution, porosity, and particle size. Given the methodological dependency of cellulose CI values and the complex nature of cellulase interactions with amorphous and crystalline celluloses, we caution against trying to correlate relatively small changes in CI with changes in cellulose digestibility. In addition, the prediction of cellulase performance based on low levels of cellulose conversion may not include sufficient digestion of the crystalline component to be meaningful. C1 [Park, Sunkyu; Baker, John O.; Himmel, Michael E.; Johnson, David K.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Parilla, Philip A.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. [Park, Sunkyu] N Carolina State Univ, Dept Forest Biomat, Raleigh, NC 27695 USA. RP Johnson, DK (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. EM david.johnson@nrel.gov RI Johnson, David/G-4959-2011 OI Johnson, David/0000-0003-4815-8782 FU US Department of Energy through the office of the Biomass Program FX This work was funded by the US Department of Energy through the office of the Biomass Program. NR 70 TC 436 Z9 439 U1 29 U2 292 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD MAY 24 PY 2010 VL 3 AR 10 DI 10.1186/1754-6834-3-10 PG 10 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA 622XZ UT WOS:000279701500001 PM 20497524 ER PT J AU Miller, LD Mosher, JJ Venkateswaran, A Yang, ZK Palumbo, AV Phelps, TJ Podar, M Schadt, CW Keller, M AF Miller, Lance D. Mosher, Jennifer J. Venkateswaran, Amudhan Yang, Zamin K. Palumbo, Anthony V. Phelps, Tommy J. Podar, Mircea Schadt, Christopher W. Keller, Martin TI Establishment and metabolic analysis of a model microbial community for understanding trophic and electron accepting interactions of subsurface anaerobic environments SO BMC MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; ORGANIC-MATTER FRACTIONS; URANIUM MILL TAILINGS; GEOBACTER-SULFURREDUCENS; DESULFOVIBRIO-VULGARIS; CLOSTRIDIUM-CELLULOLYTICUM; COMPETITIVE-EXCLUSION; CONTINUOUS CULTURES; WASTE-WATER; GROWTH AB Background: Communities of microorganisms control the rates of key biogeochemical cycles, and are important for biotechnology, bioremediation, and industrial microbiological processes. For this reason, we constructed a model microbial community comprised of three species dependent on trophic interactions. The three species microbial community was comprised of Clostridium cellulolyticum, Desulfovibrio vulgaris Hildenborough, and Geobacter sulfurreducens and was grown under continuous culture conditions. Cellobiose served as the carbon and energy source for C. cellulolyticum, whereas D. vulgaris and G. sulfurreducens derived carbon and energy from the metabolic products of cellobiose fermentation and were provided with sulfate and fumarate respectively as electron acceptors. Results: qPCR monitoring of the culture revealed C. cellulolyticum to be dominant as expected and confirmed the presence of D. vulgaris and G. sulfurreducens. Proposed metabolic modeling of carbon and electron flow of the three-species community indicated that the growth of C. cellulolyticum and D. vulgaris were electron donor limited whereas G. sulfurreducens was electron acceptor limited. Conclusions: The results demonstrate that C. cellulolyticum, D. vulgaris, and G. sulfurreducens can be grown in coculture in a continuous culture system in which D. vulgaris and G. sulfurreducens are dependent upon the metabolic byproducts of C. cellulolyticum for nutrients. This represents a step towards developing a tractable model ecosystem comprised of members representing the functional groups of a trophic network. C1 [Miller, Lance D.; Mosher, Jennifer J.; Venkateswaran, Amudhan; Yang, Zamin K.; Palumbo, Anthony V.; Phelps, Tommy J.; Podar, Mircea; Schadt, Christopher W.; Keller, Martin] Oak Ridge Natl Lab, Biosci & Environm Sci Div, Oak Ridge, TN 37831 USA. [Miller, Lance D.; Mosher, Jennifer J.; Venkateswaran, Amudhan; Yang, Zamin K.; Palumbo, Anthony V.; Phelps, Tommy J.; Podar, Mircea; Schadt, Christopher W.; Keller, Martin] LBNL, Virtual Inst Microbial Stress & Survival, Berkeley, CA 94720 USA. RP Keller, M (reprint author), Oak Ridge Natl Lab, Biosci & Environm Sci Div, Oak Ridge, TN 37831 USA. EM kellerm@ornl.gov RI Palumbo, Anthony/A-4764-2011; phelps, tommy/A-5244-2011; Keller, Martin/C-4416-2012; Schadt, Christopher/B-7143-2008; OI Palumbo, Anthony/0000-0002-1102-3975; Schadt, Christopher/0000-0001-8759-2448; Mosher, Jennifer/0000-0001-6976-2036; Podar, Mircea/0000-0003-2776-0205 FU U.S. Department of Energy, Office of Science; Office of Biological and Environmental Research Genomics; U.S. Department of Energy [DE-ACO5-00OR22725] FX The authors would like to thank Meghan Drake for culturing assistance. We also thank two anonymous reviewers for helpful comments. This work was part of work by the Virtual Institute for Microbial Stress and Survival http://vimss.lbl.gov/ sponsored by the U.S. Department of Energy, Office of Science, and Office of Biological and Environmental Research Genomics:GTL program. Oak Ridge National Laboratory is managed by UT Battelle, LLC, for the U.S. Department of Energy under contract DE-ACO5-00OR22725. NR 54 TC 20 Z9 20 U1 2 U2 20 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2180 J9 BMC MICROBIOL JI BMC Microbiol. PD MAY 24 PY 2010 VL 10 AR 149 DI 10.1186/1471-2180-10-149 PG 12 WC Microbiology SC Microbiology GA 637FM UT WOS:000280801500001 PM 20497531 ER PT J AU Putkunz, CT Pfeifer, MA Peele, AG Williams, GJ Quiney, HM Abbey, B Nugent, KA McNulty, I AF Putkunz, C. T. Pfeifer, M. A. Peele, A. G. Williams, G. J. Quiney, H. M. Abbey, B. Nugent, K. A. McNulty, I. TI Fresnel coherent diffraction tomography SO OPTICS EXPRESS LA English DT Article ID X-RAY-DIFFRACTION; UNIQUE PHASE RECOVERY; RECONSTRUCTION; ALGORITHMS; MICROSCOPY; RETRIEVAL; SCATTERING; IMAGE; FIELD AB Tomographic coherent imaging requires the reconstruction of a series of two-dimensional projections of the object. We show that using the solution for the image of one projection as the starting point for the reconstruction of the next projection offers a reliable and rapid approach to the image reconstruction. The method is demonstrated on simulated and experimental data. This technique also simplifies reconstructions using data with curved incident wavefronts. (C) 2010 Optical Society of America C1 [Putkunz, C. T.; Pfeifer, M. A.; Peele, A. G.] La Trobe Univ, Dept Phys, Bundoora, Vic 3086, Australia. [Williams, G. J.; Quiney, H. M.; Abbey, B.; Nugent, K. A.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Putkunz, C. T.; Pfeifer, M. A.; Peele, A. G.; Williams, G. J.; Quiney, H. M.; Abbey, B.; Nugent, K. A.] Australian Res Council, Ctr Excellence Coherent Xray Sci, Canberra, ACT, Australia. [McNulty, I.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Putkunz, CT (reprint author), La Trobe Univ, Dept Phys, Bundoora, Vic 3086, Australia. EM a.peele@latrobe.edu.au RI Pfeifer, Mark/C-4132-2011; Williams, Garth/H-1606-2012; Nugent, Keith/J-2699-2012; Abbey, Brian/D-3274-2011; Nugent, Keith/I-4154-2016 OI Nugent, Keith/0000-0003-1522-8991; Abbey, Brian/0000-0001-6504-0503; Nugent, Keith/0000-0002-4281-3478 FU Australian Research Council Centre of Excellence; Victorian Partnership for Advanced Computing HPC Facility and Support Services; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors acknowledge support from the Australian Research Council Centre of Excellence and Fellowship Programs. This project was supported by the Victorian Partnership for Advanced Computing HPC Facility and Support Services. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 41 TC 19 Z9 19 U1 0 U2 8 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 24 PY 2010 VL 18 IS 11 BP 11746 EP 11753 DI 10.1364/OE.18.011746 PG 8 WC Optics SC Optics GA 607OB UT WOS:000278512300089 PM 20589035 ER PT J AU Ellis, SD Hornig, A Lee, C Vermilion, CK Walsh, JR AF Ellis, Stephen D. Hornig, Andrew Lee, Christopher Vermilion, Christopher K. Walsh, Jonathan R. TI Consistent factorization of jet observables in exclusive multijet cross sections SO PHYSICS LETTERS B LA English DT Article DE Factorization; Jets; Jet shapes; Resummation; Soft-Collinear Effective Theory ID HADRON-COLLISIONS; WILSON LOOPS; RESUMMATION; SHAPES AB We demonstrate the consistency at the next-to-leading-logarithmic (NLL) level of a factorization theorem based on Soft-Collinear Effective Theory (SCET) for jet shapes in e(+) e(-) collisions. We consider measuring jet observables in exclusive multijet final states defined with cone and k(T)-type jet algorithms. Consistency of the factorization theorem requires that the renormalization group evolution of hard, jet, and soft functions is such that the physical cross section is independent of the factorization scale it. The anomalous dimensions of the various factorized pieces, however, depend on the color representation of jets, choice of jet observable, the number of jets whose shapes are measured, and the jet algorithm, making it highly nontrivial to satisfy the consistency condition. We demonstrate the intricate cancellations between anomalous dimensions that occur at the NLL level, so that, up to power corrections that we identify, our factorization of the jet shape distributions is consistent for any number of quark and gluon jets, for any number of jets whose shapes are measured or unmeasured, for any angular size R of the jets, and for any of the algorithms we consider. Corrections to these results are suppressed by the SCET expansion parameter A (set by the ratio of the typical momentum in a jet transverse to the jet axis to the total jet energy) and in the jet separation measure 1/t(2) = tan(2)(R/2)/tan(2)(psi/2), where psi is the angular separation between jets. Our results can be used to calculate a wide variety of jet observables in multijet final states to NLL accuracy. (C) 2010 Elsevier BM. All rights reserved. C1 [Hornig, Andrew; Lee, Christopher] Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. [Hornig, Andrew; Lee, Christopher] Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. [Ellis, Stephen D.; Vermilion, Christopher K.; Walsh, Jonathan R.] Univ Washington, Seattle, WA 98195 USA. RP Lee, C (reprint author), Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. EM sdellis@uw.edu; ahornig@berkeley.edu; clee@berkeley.edu; verm@uw.edu; jrwalsh@uw.edu OI Lee, Christopher/0000-0003-2385-7536 FU U.S. Department of Energy [DE-FG02-96ER40956, DE-AC02-05CH11231]; National Science Foundation (NSF) [PHY-0457315, PHY-0705682] FX We are grateful to C. Bauer for valuable discussions and review of the draft. The authors at the Berkeley CTP and in the Particle Theory Group at the University of Washington thank one another's groups for hospitality during portions of this work. This work was supported in part by the U.S. Department of Energy under Grants DE-FG02-96ER40956 (SDE, CKV, JRW) and DE-AC02-05CH11231 (AH, CL), and by the National Science Foundation under Grant PHY-0457315 (AH, CL). AH was supported in part by an LHC Theory Initiative Graduate Fellowship, NSF grant number PHY-0705682. NR 47 TC 34 Z9 34 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 24 PY 2010 VL 689 IS 2-3 BP 82 EP 89 DI 10.1016/j.physletb.2010.04.019 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 607KN UT WOS:000278502400006 ER PT J AU Cauet, E Bogatko, S Weare, JH Fulton, JL Schenter, GK Bylaska, EJ AF Cauet, Emilie Bogatko, Stuart Weare, John H. Fulton, John L. Schenter, Gregory K. Bylaska, Eric J. TI Structure and dynamics of the hydration shells of the Zn2+ ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID X-RAY-DIFFRACTION; ABSORPTION FINE-STRUCTURE; DENSITY-FUNCTIONAL THEORY; NORM-CONSERVING PSEUDOPOTENTIALS; MULTIPLE-SCATTERING CALCULATIONS; TRANSITION-METAL-COMPLEXES; POTENTIAL-ENERGY SURFACE; AQUEOUS-SOLUTIONS; ZINC IONS; EXAFS SPECTROSCOPY AB Results of ab initio molecular dynamics (AIMD) simulations (density functional theory+PBE96) of the dynamics of waters in the hydration shells surrounding the Zn2+ ion (T approximate to 300 K, rho approximate to 1 gm/cm(3)) are compared to simulations using a combined quantum and classical molecular dynamics [AIMD/molecular mechanical (MM)] approach. Both classes of simulations were performed with 64 solvating water molecules (similar to 15 ps) and used the same methods in the electronic structure calculation (plane-wave basis set, time steps, effective mass, etc.). In the AIMD/MM calculation, only six waters of hydration were included in the quantum mechanical (QM) region. The remaining 58 waters were treated with a published flexible water-water interaction potential. No reparametrization of the water-water potential was attempted. Additional AIMD/MM simulations were performed with 256 water molecules. The hydration structures predicted from the AIMD and AIMD/MM simulations are found to agree in detail with each other and with the structural results from x-ray data despite the very limited QM region in the AIMD/MM simulation. To further evaluate the agreement of these parameter-free simulations, predicted extended x-ray absorption fine structure (EXAFS) spectra were compared directly to the recently obtained EXAFS data and they agree in remarkable detail with the experimental observations. The first hydration shell contains six water molecules in a highly symmetric octahedral structure is (maximally located at 2.13-2.15 angstrom versus 2.072 angstrom EXAFS experiment). The widths of the peak of the simulated EXAFS spectra agree well with the data (8.4 angstrom(2) versus 8.9 angstrom(2) in experiment). Analysis of the H-bond structure of the hydration region shows that the second hydration shell is trigonally bound to the first shell water with a high degree of agreement between the AIMD and AIMD/MM calculations. Beyond the second shell, the bonding pattern returns to the tetrahedral structure of bulk water. The AIMD/MM results emphasize the importance of a quantum description of the first hydration shell to correctly describe the hydration region. In these calculations the full d(10) electronic structure of the valence shell of the Zn2+ ion is retained. The simulations show substantial and complex charge relocation on both the Zn2+ ion and the first hydration shell. The dipole moment of the waters in the first hydration shell is 3.4 D (3.3 D AIMD/MM) versus 2.73 D bulk. Little polarization is found for the waters in the second hydration shell (2.8 D). No exchanges were seen between the first and the second hydrations shells; however, many water transfers between the second hydration shell and the bulk were observed. For 64 waters, the AIMD and AIMD/MM simulations give nearly identical results for exchange dynamics. However, in the larger particle simulations (256 waters) there is a significant reduction in the second shell to bulk exchanges. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3421542] C1 [Fulton, John L.; Schenter, Gregory K.; Bylaska, Eric J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Cauet, Emilie; Bogatko, Stuart; Weare, John H.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. RP Bylaska, EJ (reprint author), Pacific NW Natl Lab, MS K8-91,POB 999, Richland, WA 99352 USA. EM eric.bylaska@pnl.gov RI Schenter, Gregory/I-7655-2014; Bogatko, Stuart/C-8394-2013 OI Schenter, Gregory/0000-0001-5444-5484; Bogatko, Stuart/0000-0001-9759-2580 FU BES Geosciences and BES Condensed-Phase and Interfacial Molecular Sciences under the BES Division of Chemical Sciences, Geosciences, and BioSciences; NSF [NSF-EAR-0545811]; NSERC; University of Washington; Simon Fraser University; Pacific Northwest National Laboratory; Advanced Photon Source; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357, DE-AC06-76RLO 1830] FX This research was supported by BES Geosciences and BES Condensed-Phase and Interfacial Molecular Sciences under the BES Division of Chemical Sciences, Geosciences, and BioSciences, and the ASCR Multiscale Mathematics program of the U.S. Department of Energy, Office of Science, under Grant No. DE-AC06-76RLO 1830. E.C., S.B., and J.H.W. also supported by NSF, under Grant No. NSF-EAR-0545811. Some of the calculations were performed on the Chinook computing system at the EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute. We also wish to thank the Scientific Computing Staff, Office of Energy Research, and the U.S. Department of Energy for a grant of computer time at the National Energy Research Scientific Computing Center (Berkeley, CA). PNC/XOR facilities at the Advanced Photon Source and research at these facilities are supported by the U.S. Department of Energy-Basic Energy Sciences, a major facilities access grant from NSERC, the University of Washington, Simon Fraser University, the Pacific Northwest National Laboratory and the Advanced Photon Source. The use of the Advanced Photon Source is also supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 106 TC 36 Z9 36 U1 2 U2 36 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2010 VL 132 IS 19 AR 194502 DI 10.1063/1.3421542 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 600FN UT WOS:000277970100031 PM 20499974 ER PT J AU Chatterjee, A Voter, AF AF Chatterjee, Abhijit Voter, Arthur F. TI Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID STOCHASTIC CHEMICAL-KINETICS; MARKOV-CHAINS; SYSTEMS; ALGORITHMS AB We present a novel computational algorithm called the accelerated superbasin kinetic Monte Carlo (AS-KMC) method that enables a more efficient study of rare-event dynamics than the standard KMC method while maintaining control over the error. In AS-KMC, the rate constants for processes that are observed many times are lowered during the course of a simulation. As a result, rare processes are observed more frequently than in KMC and the time progresses faster. We first derive error estimates for AS-KMC when the rate constants are modified. These error estimates are next employed to develop a procedure for lowering process rates with control over the maximum error. Finally, numerical calculations are performed to demonstrate that the AS-KMC method captures the correct dynamics, while providing significant CPU savings over KMC in most cases. We show that the AS-KMC method can be employed with any KMC model, even when no time scale separation is present (although in such cases no computational speed-up is observed), without requiring the knowledge of various time scales present in the system. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3409606] C1 [Chatterjee, Abhijit] Indian Inst Technol Kanpur, Dept Chem Engn, Kanpur 208016, Uttar Pradesh, India. [Voter, Arthur F.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Chatterjee, A (reprint author), Indian Inst Technol Kanpur, Dept Chem Engn, Kanpur 208016, Uttar Pradesh, India. EM achatter@iitk.ac.in; afv@lanl.gov RI Chatterjee, Abhijit/G-6421-2013; OI Voter, Arthur/0000-0001-9788-7194 FU United States Department of Energy, Office of Basic Energy Sciences and Division of Materials Sciences and Engineering; Los Alamos National Laboratory (LANL); U.S. Department of Energy [DE-AC52-O6NA25396] FX This work was supported by the United States Department of Energy, Office of Basic Energy Sciences and Division of Materials Sciences and Engineering. A. C. acknowledges funding from Director's postdoctoral fellowship at the Los Alamos National Laboratory (LANL). LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-O6NA25396. NR 35 TC 18 Z9 18 U1 0 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2010 VL 132 IS 19 AR 194101 DI 10.1063/1.3409606 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 600FN UT WOS:000277970100002 PM 20499945 ER PT J AU Kamarchik, E Kostko, O Bowman, JM Ahmed, M Krylov, AI AF Kamarchik, Eugene Kostko, Oleg Bowman, Joel M. Ahmed, Musahid Krylov, Anna I. TI Spectroscopic signatures of proton transfer dynamics in the water dimer cation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ORBITAL CALCULATIONS; COUPLED-CLUSTER METHODS; BASE-PAIR; RADICAL CATIONS; IONIZATION-POTENTIALS; POLYATOMIC-MOLECULES; DIPOLE-MOMENT; ENERGIES; CHEMISTRY; PHOTOIONIZATION AB Using full-dimensional EOM-IP-CCSD/aug-cc-pVTZ potential energy surfaces, the photoelectron spectrum, vibrational structure, and ionization dynamics of the water dimer radical cation, (H(2)O)(2)(+), were computed. We also report an experimental photoelectron spectrum which is derived from photoionization efficiency measurements and compares favorably with the theoretical spectrum. The vibrational structure is also compared to the recent experimental work of Gardenier [J. Phys. Chem. A 113, 4772 (2009)] and the recent theoretical calculations by Cheng [J. Phys. Chem. A 113, 13779 (2009)]. A reduced-dimensionality nuclear Hamiltonian was used to compute the ionization dynamics for both the ground state and first excited state of the cation. The dynamics show markedly different behavior and spectroscopic signatures depending on which state of the cation is accessed by the ionization. Ionization to the ground state cation surface induces a hydrogen transfer which is complete within 50 fs, whereas ionization to the first excited state results in a much slower process. (C) 2010 American Institute of Physics. [doi:10.1063/1.3432198] C1 [Kamarchik, Eugene; Krylov, Anna I.] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. [Kamarchik, Eugene; Bowman, Joel M.] Emory Univ, Dept Chem, CL Emerson Ctr Sci Computat, Atlanta, GA 30322 USA. [Kostko, Oleg; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Kamarchik, E (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. EM krylov@usc.edu RI Ahmed, Musahid/A-8733-2009; Kostko, Oleg/B-3822-2009 OI Kostko, Oleg/0000-0003-2068-4991 FU National Science Foundation through the CRIF:CRF CHE [0625419, 0624602, 0625237]; Department of Energy [DE-FG02-05ER15685, DE-FG02-97ER14782]; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was conducted under auspices of the iOpen-Shell Center for Computational Studies of Electronic Structure and Spectroscopy of Open-Shell and Electronically Excited Species supported by the National Science Foundation through the CRIF:CRF CHE Grant Nos. 0625419, 0624602, and 0625237. A. I. K. and J.M.B. also acknowledge support of the Department of Energy (Grant Nos. DE-FG02-05ER15685 and DE-FG02-97ER14782, respectively). M. A. and O.K. acknowledge support by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 59 TC 31 Z9 31 U1 0 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2010 VL 132 IS 19 AR 194311 DI 10.1063/1.3432198 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 600FN UT WOS:000277970100024 PM 20499967 ER PT J AU Whitelam, S AF Whitelam, Stephen TI Nonclassical assembly pathways of anisotropic particles SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID PROTEIN CRYSTAL NUCLEATION; PHASE-SEPARATION; STEP RULE; CRYSTALLIZATION; TRANSITION; MODELS AB Advances in synthetic methods have spawned an array of nanoparticles and bio-inspired molecules of diverse shapes and interaction geometries. Recent experiments indicate that such anisotropic particles exhibit a variety of nonclassical self-assembly pathways, forming ordered assemblies via intermediates that do not share the architecture of the bulk material. Here we apply mean field theory to a prototypical model of interacting anisotropic particles, and find a clear thermodynamic impetus for nonclassical ordering in certain regimes of parameter space. In other parameter regimes, by contrast, assembly pathways are selected by dynamics. This approach suggests a means of predicting when anisotropic particles might assemble in a manner more complicated than that assumed by classical nucleation theory. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3425661] C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Whitelam, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM swhitelam@lbl.gov FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Energy Frontier Research Center FX We thank Jim DeYoreo for discussions. This work was performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, and was 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 (75% support) and as part of the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center, under the same Contract No. (25% support). NR 38 TC 15 Z9 15 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 21 PY 2010 VL 132 IS 19 AR 194901 DI 10.1063/1.3425661 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 600FN UT WOS:000277970100043 ER PT J AU Dimonte, G AF Dimonte, Guy TI A cell kinetics model for prostate cancer and its application to clinical data and individual patients SO JOURNAL OF THEORETICAL BIOLOGY LA English DT Article DE Cell specific PSA; Individualized medicine; PC tumor progression ID RADICAL RETROPUBIC PROSTATECTOMY; RADIATION-THERAPY; ANTIGEN DENSITY; LOCAL RECURRENCE; TUMOR VOLUME; HORMONAL-THERAPY; SURVIVAL RATES; GLAND VOLUME; PSA VELOCITY; DATA-BASE AB A cell kinetics model is developed to describe the evolution of prostate cancer (PC) from diagnosis to PC specific death. Such a model can be used to estimate an individual's eventual outcome and thus to inform decisions about therapy. To describe the observed clinical progression, the model must postulate three PC cell populations that are (1) local to the prostate and sensitive to hormones, (2) regional and hormone sensitive, and (3) systemic and hormone resistant. A set of coupled first-order differential equations describes the exponential growth of a PC tumor as well as its transformation from a local to systemic disease. The time dependence of the solutions is scaled to the doubling time of the prostate specific antigen (PSADT) because it characterizes the tumor growth for the individual. The conversion from local to systemic cell populations is described with a parameter e that can be associated with the Gleason score. The model also has three critical cell populations that describe (1) the initiation of the non-local populations, (2) the saturation level of the local tumor, and (3) the cell count likely to cause PC specific death. These parameters are calibrated by reproducing published PC clinical data and survival tables. The model is then applied to individuals with complete PC diagnostic data in order to calculate the progression to PC specific death. One man has early stage PC as described in the 'vignette' patient of Walsh et al. (2007. N. Engl. J. Med. 357, 2696-2705). The second man has a more serious condition and has undergone both local and systemic treatments. Unfortunately, I am that patient. (C) 2010 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Dimonte, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dimonte@lanl.gov FU US Department of Energy [DE-AC52-06NA2-5396] FX I am indebted to Drs. Steven Robeson, Peter Lindberg and Donald Shina for their thoughtful and effective treatment, and to my wife Candy Blackwood for her support and counsel. I thank Drs. D. Grado, H. Zincke, M.E. Cleave, I.F. Tannock and V. Kundra for graciously responding to my email inquiries, Drs. D.J. Tindall and Z. Bajzer for useful suggestions and Dr. Mark Bolander for his insight and encouragement. This work was supported in part by the US Department of Energy under Contract no. DE-AC52-06NA2-5396 to Los Alamos National Laboratory. NR 69 TC 3 Z9 5 U1 0 U2 1 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-5193 J9 J THEOR BIOL JI J. Theor. Biol. PD MAY 21 PY 2010 VL 264 IS 2 BP 420 EP 442 DI 10.1016/j.jtbi.2010.02.023 PG 23 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 588GG UT WOS:000277055500026 PM 20176031 ER PT J AU Ishizaki, A Fleming, GR AF Ishizaki, Akihito Fleming, Graham R. TI Quantum superpositions in photosynthetic light harvesting: delocalization and entanglement SO NEW JOURNAL OF PHYSICS LA English DT Article ID ELECTRONIC SPECTROSCOPY; EXCITONIC COHERENCE; ENERGY-TRANSFER; TEMPERATURE; DYNAMICS; COMPLEXES; SYSTEM; STATES AB We explore quantum entanglement among the chlorophyll molecules in light-harvesting complex II, which is the most abundant photosynthetic antenna complex in plants containing over 50% of the world's chlorophyll molecules. Our results demonstrate that there exists robust quantum entanglement under physiological conditions for the case of a single elementary excitation. However, this nonvanishing entanglement is not unexpected because entanglement in the single-excitation manifold is conceptually the same as quantum delocalized states, which are the spectroscopically detectable energy eigenstates of the system. We discuss the impact of the surrounding environments and correlated fluctuations in electronic energies of different pigments upon quantum delocalization and quantum entanglement. It is demonstrated that investigations with tools quantifying the entanglement can provide us with more detailed information on the nature of quantum delocalization, in particular the so-called dynamic localization, which is difficult for a traditional treatment to capture. C1 [Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM GRFleming@lbl.gov RI Ishizaki, Akihito/A-7069-2010 OI Ishizaki, Akihito/0000-0002-0246-4461 FU DARPA [N66001-09-1-2026]; Japan Society for the Promotion of Science FX This work was supported by DARPA under award no. N66001-09-1-2026. We acknowledge an allocation of supercomputing time from the National Energy Research Scientific Computing Center (NERSC). We also thank Birgitta Whaley, Mohan Sarovar, Martin Plenio and Animesh Datta for helpful discussions. AI is grateful for the Postdoctoral Fellowship for Research Abroad by the Japan Society for the Promotion of Science. NR 47 TC 62 Z9 62 U1 0 U2 21 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD MAY 21 PY 2010 VL 12 AR 055004 DI 10.1088/1367-2630/12/5/055004 PG 13 WC Physics, Multidisciplinary SC Physics GA 609CY UT WOS:000278633900003 ER PT J AU Chekanov, S Derrick, M Magill, S Musgrave, B Nicholass, D Repond, J Yoshida, R Mattingly, MCK Antonioli, P Bari, G Bellagamba, L Boscherini, D Bruni, A Bruni, G Cindolo, F Corradi, M Iacobucci, G Margotti, A Nania, R Polini, A Antonelli, S Basile, M Bindi, M Cifarelli, L Contin, A De Pasquale, S Sartorelli, G Zichichi, A Bartsch, D Brock, I Hartmann, H Hilger, E Jakob, HP Jungst, M Nuncio-Quiroz, AE Paul, E Samson, U Schonberg, V Shehzadi, R Wlasenko, M Morris, JD Kaur, M Kaur, P Singh, I Capua, M Fazio, S Mastroberardino, A Schioppa, M Susinno, G Tassi, E Kim, JY Ibrahim, ZA Idris, FM Kamaluddin, B Abdullah, WATW Ning, Y Ren, Z Sciulli, F Chwastowski, J Eskreys, A Figiel, J Galas, A Olkiewicz, K Pawlik, B Stopa, P Zawiejski, L Adamczyk, L Bold, T Grabowska-Bold, I Kisielewska, D Lukasik, J Przybycien, M Suszycki, L Kotanski, A Slominski, W Bachynska, O Behnke, O Behr, J Behrens, U Blohm, C Borras, K Bot, D Ciesielski, R Coppola, N Fang, S Geiser, A Gottlicher, P Grebenyuk, J Gregor, I Haas, T Hain, W Huttmann, A Januschek, F Kahle, B Katkov, II Klein, U Kotz, U Kowalski, H Libov, V Lisovyi, M Lobodzinska, E Lohr, B Mankel, R Melzer-Pellmann, IA Miglioranzi, S Montanari, A Namsoo, T Notz, D Parenti, A Raval, A Roloff, P Rubinsky, I Schneekloth, U Spiridonov, A Szuba, D Szuba, J Theedt, T Tomaszewska, J Verbytskyi, A Wolf, G Wrona, K Yagues-Molina, AG Youngman, C Zeuner, W Drugakov, V Lohmann, W Schlenstedt, S Barbagli, G Gallo, E Pelfer, PG Bamberger, A Dobur, D Karstens, F Vlasov, NN Bussey, PJ Doyle, AT Forrest, M Saxon, DH Skillicorn, IO Gialas, I Papageorgiu, K Holm, U Klanner, R Lohrmann, E Perrey, H Schleper, P Schorner-Sadenius, T Sztuk, J Stadie, H Turcato, M Long, KR Tapper, AD Matsumoto, T Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Aushev, V Borodin, M Kadenko, I Korol, I Kuprash, O Lontkovskyi, D Makarenko, I Onishchuk, Y Salii, A Sorokin, I Viazlo, V Volynets, O Zenaiev, O Zolko, M Son, D de Favereau, J Piotrzkowski, K Barreiro, F Glasman, C Jimenez, M del Peso, J Ron, E Terron, J Uribe-Estrada, C Corriveau, F Schwartz, J Zhou, C Tsurugai, T Antonov, A Dolgoshein, BA Gladkov, D Sosnovtsev, V Stifutkin, A Suchkov, S Dementiev, RK Ermolov, PF Gladilin, LK Golubkov, YA Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Zotkin, DS Abt, I Caldwell, A Kollar, D Reisert, B Schmidke, WB Grigorescu, G Keramidas, A Koffeman, E Kooijman, P Pellegrino, A Tiecke, H Vazquez, M Wiggers, L Brummer, N Bylsma, B Durkin, LS Lee, A Ling, TY Cooper-Sarkar, AM Devenish, RCE Ferrando, J Foster, B Gwenlan, C Horton, K Oliver, K Robertson, A Walczak, R Bertolin, A Dal Corso, F Dusini, S Longhin, A Stanco, L Brugnera, R Carlin, R Garfagnini, A Limentani, S Oh, BY Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Hart, JC Abramowicz, H Ingbir, R Kananov, S Levy, A Stern, A Ishitsuka, M Kanno, T Kuze, M Maeda, J Hori, R Okazaki, N Shimizu, S Hamatsu, R Kitamura, S Ota, O Ri, YD Costa, M Ferrero, MI Monaco, V Sacchi, R Sola, V Solano, A Arneodo, M Ruspa, M Fourletov, S Martin, JF Stewart, TP Boutle, SK Butterworth, JM Jones, TW Loizides, JH Wing, M Brzozowska, B Ciborowski, J Grzelak, G Kulinski, P Luzniak, P Malka, J Nowak, RJ Pawlak, JM Perlanski, W Zarnecki, AF Adamus, M Plucinski, P Tymieniecka, T Eisenberg, Y Hochman, D Karshon, U Brownson, E Reeder, DD Savin, AA Smith, WH Wolfe, H Bhadra, S Catterall, CD Hartner, G Noor, U Whyte, J AF Chekanov, S. Derrick, M. Magill, S. Musgrave, B. Nicholass, D. Repond, J. Yoshida, R. Mattingly, M. C. K. Antonioli, P. Bari, G. Bellagamba, L. Boscherini, D. Bruni, A. Bruni, G. Cindolo, F. Corradi, M. Iacobucci, G. Margotti, A. Nania, R. Polini, A. Antonelli, S. Basile, M. Bindi, M. Cifarelli, L. Contin, A. De Pasquale, S. Sartorelli, G. Zichichi, A. Bartsch, D. Brock, I. Hartmann, H. Hilger, E. Jakob, H. -P. Juengst, M. Nuncio-Quiroz, A. E. Paul, E. Samson, U. Schoenberg, V. Shehzadi, R. Wlasenko, M. Morris, J. D. Kaur, M. Kaur, P. Singh, I. Capua, M. Fazio, S. Mastroberardino, A. Schioppa, M. Susinno, G. Tassi, E. Kim, J. Y. Ibrahim, Z. A. Idris, F. Mohamad Kamaluddin, B. Abdullah, W. A. T. Wan Ning, Y. Ren, Z. Sciulli, F. Chwastowski, J. Eskreys, A. Figiel, J. Galas, A. Olkiewicz, K. Pawlik, B. Stopa, P. Zawiejski, L. Adamczyk, L. Bold, T. Grabowska-Bold, I. Kisielewska, D. Lukasik, J. Przybycien, M. Suszycki, L. Kotanski, A. Slominski, W. Bachynska, O. Behnke, O. Behr, J. Behrens, U. 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Robertson, A. Walczak, R. Bertolin, A. Dal Corso, F. Dusini, S. Longhin, A. Stanco, L. Brugnera, R. Carlin, R. Garfagnini, A. Limentani, S. Oh, B. Y. Whitmore, J. J. Iga, Y. D'Agostini, G. Marini, G. Nigro, A. Hart, J. C. Abramowicz, H. Ingbir, R. Kananov, S. Levy, A. Stern, A. Ishitsuka, M. Kanno, T. Kuze, M. Maeda, J. Hori, R. Okazaki, N. Shimizu, S. Hamatsu, R. Kitamura, S. Ota, O. Ri, Y. D. Costa, M. Ferrero, M. I. Monaco, V. Sacchi, R. Sola, V. Solano, A. Arneodo, M. Ruspa, M. Fourletov, S. Martin, J. F. Stewart, T. P. Boutle, S. K. Butterworth, J. M. Jones, T. W. Loizides, J. H. Wing, M. Brzozowska, B. Ciborowski, J. Grzelak, G. Kulinski, P. Luzniak, P. Malka, J. Nowak, R. J. Pawlak, J. M. Perlanski, W. Zarnecki, A. F. Adamus, M. Plucinski, P. Tymieniecka, T. Eisenberg, Y. Hochman, D. Karshon, U. Brownson, E. Reeder, D. D. Savin, A. A. Smith, W. H. Wolfe, H. Bhadra, S. Catterall, C. D. Hartner, G. Noor, U. Whyte, J. CA ZEUS Collaboration TI A QCD analysis of ZEUS diffractive data SO NUCLEAR PHYSICS B LA English DT Article DE Diffractive scattering; Lepton nucleon interactions; QCD; Perturbative QCD; QCD evolution ID DEEP-INELASTIC SCATTERING; PROTON STRUCTURE-FUNCTION; CROSS-SECTIONS; PARTON DISTRIBUTIONS; PLUG CALORIMETER; HERA; PHOTOPRODUCTION; COLLISIONS; Q(2) AB ZEUS inclusive diffractive-cross-section measurements have been used in a DGLAP next-to-leading-order QCD analysis to extract the diffractive parton distribution functions. Data on diffractive dijet production in deep inelastic scattering have also been included to constrain the gluon density. Predictions based on the extracted parton densities are compared to diffractive charm and dijet photoproduction data. (C) 2010 Elsevier B.V. All rights reserved. C1 [Mattingly, M. C. K.] Andrews Univ, Berrien Springs, MI 49104 USA. 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RP Haas, T (reprint author), Deutsch Elektronen Synchrotron DESY, Hamburg, Germany. EM tobias.haas@desy.de RI Suchkov, Sergey/M-6671-2015; De Pasquale, Salvatore/B-9165-2008; dusini, stefano/J-3686-2012; Capua, Marcella/A-8549-2015; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Fazio, Salvatore /G-5156-2010; WAN ABDULLAH, WAN AHMAD TAJUDDIN/B-5439-2010; Doyle, Anthony/C-5889-2009; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012; Korzhavina, Irina/D-6848-2012; Wiggers, Leo/B-5218-2015; Tassi, Enrico/K-3958-2015; Ferrando, James/A-9192-2012; Gladilin, Leonid/B-5226-2011 OI De Pasquale, Salvatore/0000-0001-9236-0748; dusini, stefano/0000-0002-1128-0664; Capua, Marcella/0000-0002-2443-6525; Arneodo, Michele/0000-0002-7790-7132; Chwastowski, Janusz/0000-0002-6190-8376; Longhin, Andrea/0000-0001-9103-9936; Raval, Amita/0000-0003-0164-4337; Doyle, Anthony/0000-0001-6322-6195; Wiggers, Leo/0000-0003-1060-0520; Ferrando, James/0000-0002-1007-7816; Gladilin, Leonid/0000-0001-9422-8636 NR 32 TC 41 Z9 41 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 EI 1873-1562 J9 NUCL PHYS B JI Nucl. Phys. B PD MAY 21 PY 2010 VL 831 IS 1-2 BP 1 EP 25 PG 25 WC Physics, Particles & Fields SC Physics GA 570UE UT WOS:000275702800001 ER PT J AU Aaltonen, T Adelman, J Gonzalez, BA Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Apollinari, G Apresyan, A Arisawa, T Artikov, A Asaadi, J Ashmanskas, W Attal, A Aurisano, A Azfar, F Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Barria, P Bartos, P Bauer, G Beauchemin, PH Bedeschi, F Beecher, D Behari, S Bellettini, G Bellinger, J Benjamin, D Beretvas, A Bhatti, A Binkley, M Bisello, D Bizjak, I Blair, RE Blocker, C Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bortoletto, D Boudreau, J Boveia, A Brau, B Bridgeman, A Brigliadori, L Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Buzatu, A Byrum, KL Cabrera, S Calancha, C Camarda, S Campanelli, M Campbell, M Canelli, F Canepa, A Carls, B Carlsmith, D Carosi, R Carrillo, S Carron, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, K Chokheli, D Chou, JP Chung, K Chung, WH Chung, YS Chwalek, T Ciobanu, CI Ciocci, MA Clark, A Clark, D Compostella, G Convery, ME Conway, J Corbo, M Cordelli, M Cox, CA Cox, DJ Crescioli, F Almenar, CC Cuevas, J Culbertson, R Cully, JC Dagenhart, D Datta, M Davies, T de Barbaro, P De Cecco, S Deisher, A De Lorenzo, G Dell'Orso, M Deluca, C Demortier, L Deng, J Deninno, M d'Errico, M Di Canto, A di Giovanni, GP Di Ruzza, B Dittmann, JR D'Onofrio, M Donati, S Dong, P Dorigo, T Dube, S Ebina, K Elagin, A Erbacher, R Errede, D Errede, S Ershaidat, N Eusebi, R Fang, HC Farrington, S Fedorko, WT Feild, RG Feindt, M Fernandez, JP Ferrazza, C Field, R Flanagan, G Forrest, R Frank, MJ Franklin, M Freeman, JC Furic, I Gallinaro, M Galyardt, J Garberson, F Garcia, JE Garfinkel, AF Garosi, P Gerberich, H Gerdes, D Gessler, A Giagu, S Giakoumopoulou, V Giannetti, P Gibson, K Gimmell, JL Ginsburg, CM Giokaris, N Giordani, M Giromini, P Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Goulianos, K Gresele, A Grinstein, S Grosso-Pilcher, C Group, RC Grundler, U da Costa, JG Gunay-Unalan, Z Haber, C Hahn, SR Halkiadakis, E Han, BY Han, JY Happacher, F Hara, K Hare, D Hare, M Harr, RF Hartz, M Hatakeyama, K Hays, C Heck, M Heinrich, J Herndon, M Heuser, J Hewamanage, S Hidas, D Hill, CS Hirschbuehl, D Hocker, A Hou, S Houlden, M Hsu, SC Hughes, RE Hurwitz, M Husemann, U Hussein, M Huston, J Incandela, J Introzzi, G Iori, M Ivanov, A James, E Jang, D Jayatilaka, B Jeon, EJ Jha, MK Jindariani, S Johnson, W Jones, M Joo, KK Jun, SY Jung, JE Junk, TR Kamon, T Kar, D Karchin, PE Kato, Y Kephart, R Ketchum, W Keung, J Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, HW Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kimura, N Kirsch, L Klimenko, S Kondo, K Kong, DJ Konigsberg, J Korytov, A Kotwal, AV Kreps, M Kroll, J Krop, D Krumnack, N Kruse, M Krutelyov, V Kuhr, T Kulkarni, NP Kurata, M Kwang, S Laasanen, AT Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I LeCompte, T Lee, E Lee, HS Lee, JS Lee, SW Leone, S Lewis, JD Lin, CJ Linacre, J Lindgren, M Lipeles, E Lister, A Litvintsev, DO Liu, C Liu, T Lockyer, NS Loginov, A Lovas, L Lucchesi, D Lueck, J Lujan, P Lukens, P Lungu, G Lys, J Lysak, R MacQueen, D Madrak, R Maeshima, K Makhoul, K Maksimovic, P Malde, S Malik, S Manca, G Manousakis-Katsikakis, A Margaroli, F Marino, C Marino, CP Martin, A Martin, V Martinez, M Martinez-Ballarin, R Mastrandrea, P Mathis, M Mattson, ME Mazzanti, P McFarland, KS McIntyre, P McNulty, R Mehta, A Mehtala, P Menzione, A Mesropian, C Miao, T Mietlicki, D Miladinovic, N Miller, R Mills, C Milnik, M Mitra, A Mitselmakher, G Miyake, H Moed, S Moggi, N Mondragon, MN Moon, CS Moore, R Morello, MJ Morlock, J Fernandez, PM Mulmenstadt, J Mukherjee, A Muller, T Murat, P Mussini, M Nachtman, J Nagai, Y Naganoma, J Nakamura, K Nakano, I Napier, A Nett, J Neu, C Neubauer, MS Neubauer, S Nielsen, J Nodulman, L Norman, M Norniella, O Nurse, E Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Osterberg, K Griso, SP Pagliarone, C Palencia, E Papadimitriou, V Papaikonomou, A Paramanov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Peiffer, T Pellett, DE Penzo, A Phillips, TJ Piacentino, G Pianori, E Pinera, L Pitts, K Plager, C Pondrom, L Potamianos, K Poukhov, O Prokoshin, F Pronko, A Ptohos, F Pueschel, E Punzi, G Pursley, J Rademacker, J Rahaman, A Ramakrishnan, V Ranjan, N Redondo, I Renton, P Renz, M Rescigno, M Richter, S Rimondi, F Ristori, L Robson, A Rodrigo, T Rodriguez, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Roy, P Ruiz, A Russ, J Rusu, V Rutherford, B Saarikko, H Safonov, A Sakumoto, WK Santi, L Sartori, L Sato, K Savoy-Navarro, A Schlabach, P Schmidt, A Schmidt, EE Schmidt, MA Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Sexton-Kennedy, L Sforza, F Sfyrla, A Shalhout, SZ Shears, T Shepard, PF Shimojima, M Shiraishi, S Shochet, M Shon, Y Shreyber, I Simonenko, A Sinervo, P Sisakyan, A Slaughter, AJ Slaunwhite, J Sliwa, K Smith, JR Snider, FD Snihur, R Soha, A Somalwar, S Sorin, V Squillacioti, P Stanitzki, M Denis, RS Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Strycker, GL Suh, JS Sukhanov, A Suslov, I Taffard, A Takashima, R Takeuchi, Y Tanaka, R Tang, J Tecchio, M Teng, PK Thom, J Thome, J Thompson, GA Thomson, E Tipton, P Ttito-Guzman, P Tkaczyk, S Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Totaro, P Tourneur, S Trovato, M Tsai, SY Tu, Y Turini, N Ukegawa, F Uozumi, S van Remortel, N Varganov, A Vataga, E Vazquez, F Velev, G Vellidis, C Vidal, M Vila, I Vilar, R Vogel, M Volobouev, I Volpi, G Wagner, P Wagner, RG Wagner, RL Wagner, W Wagner-Kuhr, J Wakisaka, T Wallny, R Wang, SM Warburton, A Waters, D Weinberger, M Weinelt, J Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Wilbur, S Williams, G Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wolfe, H Wright, T Wu, X Wurthwein, F Yagil, A Yamamoto, K Yamaoka, J Yang, UK Yang, YC Yao, WM Yeh, GP Yi, K Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Yu, SS Yun, JC Zanetti, A Zeng, Y Zhang, X Zheng, Y Zucchelli, S AF Aaltonen, T. Adelman, J. Gonzalez, B. Alvarez Amerio, S. Amidei, D. Anastassov, A. Annovi, A. Antos, J. Apollinari, G. Apresyan, A. Arisawa, T. Artikov, A. Asaadi, J. Ashmanskas, W. Attal, A. Aurisano, A. Azfar, F. Badgett, W. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Barria, P. Bartos, P. Bauer, G. Beauchemin, P. -H. Bedeschi, F. Beecher, D. Behari, S. Bellettini, G. Bellinger, J. Benjamin, D. Beretvas, A. Bhatti, A. Binkley, M. Bisello, D. Bizjak, I. Blair, R. E. Blocker, C. Blumenfeld, B. Bocci, A. Bodek, A. Boisvert, V. Bortoletto, D. Boudreau, J. Boveia, A. Brau, B. Bridgeman, A. Brigliadori, L. Bromberg, C. Brubaker, E. Budagov, J. Budd, H. S. Budd, S. Burkett, K. Busetto, G. Bussey, P. Buzatu, A. Byrum, K. L. Cabrera, S. Calancha, C. Camarda, S. Campanelli, M. Campbell, M. Canelli, F. Canepa, A. Carls, B. Carlsmith, D. Carosi, R. Carrillo, S. Carron, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavaliere, V. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chang, S. H. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Chlebana, F. Cho, K. Chokheli, D. Chou, J. P. Chung, K. Chung, W. H. Chung, Y. S. Chwalek, T. Ciobanu, C. I. Ciocci, M. A. Clark, A. Clark, D. Compostella, G. Convery, M. E. Conway, J. Corbo, M. Cordelli, M. Cox, C. A. Cox, D. J. Crescioli, F. Almenar, C. Cuenca Cuevas, J. Culbertson, R. Cully, J. C. Dagenhart, D. Datta, M. Davies, T. de Barbaro, P. De Cecco, S. Deisher, A. De Lorenzo, G. Dell'Orso, M. Deluca, C. Demortier, L. Deng, J. Deninno, M. d'Errico, M. Di Canto, A. di Giovanni, G. P. Di Ruzza, B. Dittmann, J. R. D'Onofrio, M. Donati, S. Dong, P. Dorigo, T. Dube, S. Ebina, K. Elagin, A. Erbacher, R. Errede, D. Errede, S. Ershaidat, N. Eusebi, R. Fang, H. C. Farrington, S. Fedorko, W. T. Feild, R. G. Feindt, M. Fernandez, J. P. Ferrazza, C. Field, R. Flanagan, G. Forrest, R. Frank, M. J. Franklin, M. Freeman, J. C. Furic, I. Gallinaro, M. Galyardt, J. Garberson, F. Garcia, J. E. Garfinkel, A. F. Garosi, P. Gerberich, H. Gerdes, D. Gessler, A. Giagu, S. Giakoumopoulou, V. Giannetti, P. Gibson, K. Gimmell, J. L. Ginsburg, C. M. Giokaris, N. Giordani, M. Giromini, P. Giunta, M. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldschmidt, N. Golossanov, A. Gomez, G. Gomez-Ceballos, G. Goncharov, M. Gonzalez, O. Gorelov, I. Goshaw, A. T. Goulianos, K. Gresele, A. Grinstein, S. Grosso-Pilcher, C. Group, R. C. Grundler, U. da Costa, J. Guimaraes Gunay-Unalan, Z. Haber, C. Hahn, S. R. Halkiadakis, E. Han, B. -Y. Han, J. Y. Happacher, F. Hara, K. Hare, D. Hare, M. Harr, R. F. Hartz, M. Hatakeyama, K. Hays, C. Heck, M. Heinrich, J. Herndon, M. Heuser, J. Hewamanage, S. Hidas, D. Hill, C. S. Hirschbuehl, D. Hocker, A. Hou, S. Houlden, M. Hsu, S. -C. Hughes, R. E. Hurwitz, M. Husemann, U. Hussein, M. Huston, J. Incandela, J. Introzzi, G. Iori, M. Ivanov, A. James, E. Jang, D. Jayatilaka, B. Jeon, E. J. Jha, M. K. Jindariani, S. Johnson, W. Jones, M. Joo, K. K. Jun, S. Y. Jung, J. E. Junk, T. R. Kamon, T. Kar, D. Karchin, P. E. Kato, Y. Kephart, R. Ketchum, W. Keung, J. Khotilovich, V. Kilminster, B. Kim, D. H. Kim, H. S. Kim, H. W. Kim, J. E. Kim, M. J. Kim, S. B. Kim, S. H. Kim, Y. K. Kimura, N. Kirsch, L. Klimenko, S. Kondo, K. Kong, D. J. Konigsberg, J. Korytov, A. Kotwal, A. V. Kreps, M. Kroll, J. Krop, D. Krumnack, N. Kruse, M. Krutelyov, V. Kuhr, T. Kulkarni, N. P. Kurata, M. Kwang, S. Laasanen, A. T. Lami, S. Lammel, S. Lancaster, M. Lander, R. L. Lannon, K. Lath, A. Latino, G. Lazzizzera, I. LeCompte, T. Lee, E. Lee, H. S. Lee, J. S. Lee, S. W. Leone, S. Lewis, J. D. Lin, C. -J. Linacre, J. Lindgren, M. Lipeles, E. Lister, A. Litvintsev, D. O. Liu, C. Liu, T. Lockyer, N. S. Loginov, A. Lovas, L. Lucchesi, D. Lueck, J. Lujan, P. Lukens, P. Lungu, G. Lys, J. Lysak, R. MacQueen, D. Madrak, R. Maeshima, K. Makhoul, K. Maksimovic, P. Malde, S. Malik, S. Manca, G. Manousakis-Katsikakis, A. Margaroli, F. Marino, C. Marino, C. P. Martin, A. Martin, V. Martinez, M. Martinez-Ballarin, R. Mastrandrea, P. Mathis, M. Mattson, M. E. Mazzanti, P. McFarland, K. S. McIntyre, P. McNulty, R. Mehta, A. Mehtala, P. Menzione, A. Mesropian, C. Miao, T. Mietlicki, D. Miladinovic, N. Miller, R. Mills, C. Milnik, M. Mitra, A. Mitselmakher, G. Miyake, H. Moed, S. Moggi, N. Mondragon, M. N. Moon, C. S. Moore, R. Morello, M. J. Morlock, J. Fernandez, P. Movilla Muelmenstaedt, J. Mukherjee, A. Muller, Th. Murat, P. Mussini, M. Nachtman, J. Nagai, Y. Naganoma, J. Nakamura, K. Nakano, I. Napier, A. Nett, J. Neu, C. Neubauer, M. S. Neubauer, S. Nielsen, J. Nodulman, L. Norman, M. Norniella, O. Nurse, E. Oakes, L. Oh, S. H. Oh, Y. D. Oksuzian, I. Okusawa, T. Orava, R. Osterberg, K. Griso, S. Pagan Pagliarone, C. Palencia, E. Papadimitriou, V. Papaikonomou, A. Paramanov, A. A. Parks, B. Pashapour, S. Patrick, J. Pauletta, G. Paulini, M. Paus, C. Peiffer, T. Pellett, D. E. Penzo, A. Phillips, T. J. Piacentino, G. Pianori, E. Pinera, L. Pitts, K. Plager, C. Pondrom, L. Potamianos, K. Poukhov, O. Prokoshin, F. Pronko, A. Ptohos, F. Pueschel, E. Punzi, G. Pursley, J. Rademacker, J. Rahaman, A. Ramakrishnan, V. Ranjan, N. Redondo, I. Renton, P. Renz, M. Rescigno, M. Richter, S. Rimondi, F. Ristori, L. Robson, A. Rodrigo, T. Rodriguez, T. Rogers, E. Rolli, S. Roser, R. Rossi, M. Rossin, R. Roy, P. Ruiz, A. Russ, J. Rusu, V. Rutherford, B. Saarikko, H. Safonov, A. Sakumoto, W. K. Santi, L. Sartori, L. Sato, K. Savoy-Navarro, A. Schlabach, P. Schmidt, A. Schmidt, E. E. Schmidt, M. A. Schmidt, M. P. Schmitt, M. Schwarz, T. Scodellaro, L. Scribano, A. Scuri, F. Sedov, A. Seidel, S. Seiya, Y. Semenov, A. Sexton-Kennedy, L. Sforza, F. Sfyrla, A. Shalhout, S. Z. Shears, T. Shepard, P. F. Shimojima, M. Shiraishi, S. Shochet, M. Shon, Y. Shreyber, I. Simonenko, A. Sinervo, P. Sisakyan, A. Slaughter, A. J. Slaunwhite, J. Sliwa, K. Smith, J. R. Snider, F. D. Snihur, R. Soha, A. Somalwar, S. Sorin, V. Squillacioti, P. Stanitzki, M. Denis, R. St. Stelzer, B. Stelzer-Chilton, O. Stentz, D. Strologas, J. Strycker, G. L. Suh, J. S. Sukhanov, A. Suslov, I. Taffard, A. Takashima, R. Takeuchi, Y. Tanaka, R. Tang, J. Tecchio, M. Teng, P. K. Thom, J. Thome, J. Thompson, G. A. Thomson, E. Tipton, P. Ttito-Guzman, P. Tkaczyk, S. Toback, D. Tokar, S. Tollefson, K. Tomura, T. Tonelli, D. Torre, S. Torretta, D. Totaro, P. Tourneur, S. Trovato, M. Tsai, S. -Y. Tu, Y. Turini, N. Ukegawa, F. Uozumi, S. van Remortel, N. Varganov, A. Vataga, E. Vazquez, F. Velev, G. Vellidis, C. Vidal, M. Vila, I. Vilar, R. Vogel, M. Volobouev, I. Volpi, G. Wagner, P. Wagner, R. G. Wagner, R. L. Wagner, W. Wagner-Kuhr, J. Wakisaka, T. Wallny, R. Wang, S. M. Warburton, A. Waters, D. Weinberger, M. Weinelt, J. Wester, W. C., III Whitehouse, B. Whiteson, D. Wicklund, A. B. Wicklund, E. Wilbur, S. Williams, G. Williams, H. H. Wilson, P. Winer, B. L. Wittich, P. Wolbers, S. Wolfe, C. Wolfe, H. Wright, T. Wu, X. Wuerthwein, F. Yagil, A. Yamamoto, K. Yamaoka, J. Yang, U. K. Yang, Y. C. Yao, W. M. Yeh, G. P. Yi, K. Yoh, J. Yorita, K. Yoshida, T. Yu, G. B. Yu, I. Yu, S. S. Yun, J. C. Zanetti, A. Zeng, Y. Zhang, X. Zheng, Y. Zucchelli, S. CA CDF Collaboration TI Measurement of the W+W- Production Cross Section and Search for Anomalous WW gamma and WWZ Couplings in p(p)over-bar Collisions at root s 1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID GAUGE-BOSON COUPLINGS; QCD; LEP AB This Letter describes the current most precise measurement of the W boson pair production cross section and most sensitive test of anomalous WW gamma and WWZ couplings in p (p) over bar collisions at a center-of-mass energy of 1.96 TeV. The WW candidates are reconstructed from decays containing two charged leptons and two neutrinos. Using data collected by the CDF II detector from 3: 6 fb(-1) of integrated luminosity, a total of 654 candidate events are observed with an expected background of 320 +/- 47 events. The measured cross section is sigma(p (p) over bar -> W+W- +X) = 12.1 +/- 0.9(stat)(-1.4)(+1.6)(syst) pb, which is in good agreement with the standard model prediction. The same data sample is used to place constraints on anomalous WW gamma and WWZ couplings. C1 [Aaltonen, T.; Mehtala, P.; Orava, R.; Osterberg, K.; Saarikko, H.; van Remortel, N.] Univ Helsinki, Div High Energy Phys, Dept Phys, FIN-00014 Helsinki, Finland. [Aaltonen, T.; Mehtala, P.; Orava, R.; Osterberg, K.; Saarikko, H.; van Remortel, N.] Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [Chen, Y. C.; Hou, S.; Martin, V.; Mitra, A.; Teng, P. K.; Tsai, S. -Y.; Wang, S. M.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Blair, R. E.; Byrum, K. L.; LeCompte, T.; Nodulman, L.; Paramanov, A. A.; Wagner, R. G.; Wicklund, A. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Giakoumopoulou, V.; Giokaris, N.; Manousakis-Katsikakis, A.; Vellidis, C.] Univ Athens, GR-15771 Athens, Greece. 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[Antos, J.; Bartos, P.; Lovas, L.; Lysak, R.; Tokar, S.] Inst Expt Phys, Kosice 04001, Slovakia. [Artikov, A.; Budagov, J.; Chokheli, D.; Glagolev, V.; Poukhov, O.; Prokoshin, F.; Semenov, A.; Simonenko, A.; Sisakyan, A.; Suslov, I.] Joint Inst Nucl Res, RU-141980 Dubna, Russia. [Benjamin, D.; Bocci, A.; Cabrera, S.; Deng, J.; Goshaw, A. T.; Jayatilaka, B.; Kotwal, A. V.; Kruse, M.; Oh, S. H.; Phillips, T. J.; Yamaoka, J.; Yu, G. B.; Zeng, Y.] Duke Univ, Durham, NC 27708 USA. [Apollinari, G.; Ashmanskas, W.; Badgett, W.; Beretvas, A.; Binkley, M.; Burkett, K.; Canelli, F.; Carron, S.; Casarsa, M.; Chlachidze, G.; Chlebana, F.; Chung, K.; Convery, M. E.; Culbertson, R.; Dagenhart, D.; Datta, M.; Dong, P.; Freeman, J. C.; Ginsburg, C. M.; Glenzinski, D.; Golossanov, A.; Group, R. C.; Hahn, S. R.; Hocker, A.; James, E.; Jindariani, S.; Junk, T. R.; Kephart, R.; Kilminster, B.; Lammel, S.; Lewis, J. D.; Lindgren, M.; Litvintsev, D. 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[Bellettini, G.; Catastini, P.; Cavaliere, V.; Crescioli, F.; Dell'Orso, M.; Di Canto, A.; Donati, S.; Punzi, G.; Sforza, F.; Volpi, G.] Univ Pisa, I-56127 Pisa, Italy. [Barria, P.; Ciocci, M. A.; Garosi, P.; Latino, G.; Scribano, A.; Squillacioti, P.; Turini, N.] Univ Siena, I-56127 Pisa, Italy. [Ferrazza, C.; Trovato, M.; Vataga, E.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Boudreau, J.; Gibson, K.; Hartz, M.; Liu, C.; Rahaman, A.; Shears, T.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Apresyan, A.; Barnes, V. E.; Bortoletto, D.; Flanagan, G.; Garfinkel, A. F.; Jones, M.; Laasanen, A. T.; Margaroli, F.; Potamianos, K.; Ranjan, N.; Sedov, A.] Purdue Univ, W Lafayette, IN 47907 USA. [Bodek, A.; Boisvert, V.; Budd, H. S.; Chung, Y. S.; de Barbaro, P.; Gimmell, J. L.; Han, B. -Y.; Han, J. Y.; McFarland, K. S.; Sakumoto, W. K.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Demortier, L.; Gallinaro, M.; Goulianos, K.; Lungu, G.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [De Cecco, S.; Giagu, S.; Iori, M.; Mastrandrea, P.; Rescigno, M.] Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. [Giagu, S.; Iori, M.] Univ Roma La Sapienza, I-00185 Rome, Italy. [Dube, S.; Halkiadakis, E.; Hare, D.; Hidas, D.; Lath, A.; Somalwar, S.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Asaadi, J.; Aurisano, A.; Elagin, A.; Eusebi, R.; Kamon, T.; Khotilovich, V.; Lee, E.; Lee, S. W.; McIntyre, P.; Safonov, A.; Toback, D.; Weinberger, M.] Texas A&M Univ, College Stn, TX 77843 USA. [Cauz, D.; Giordani, M.; Pagliarone, C.; Pauletta, G.; Penzo, A.; Rossi, M.; Santi, L.; Totaro, P.; Zanetti, A.] Ist Nazl Fis Nucl, I-34100 Trieste, Italy. [Cauz, D.; Giordani, M.; Pagliarone, C.; Pauletta, G.; Penzo, A.; Rossi, M.; Santi, L.; Totaro, P.; Zanetti, A.] Ist Nazl Fis Nucl, I-33100 Udine, Italy. 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RP Aaltonen, T (reprint author), Univ Helsinki, Div High Energy Phys, Dept Phys, FIN-00014 Helsinki, Finland. RI Introzzi, Gianluca/K-2497-2015; Piacentino, Giovanni/K-3269-2015; Martinez Ballarin, Roberto/K-9209-2015; Gorelov, Igor/J-9010-2015; Prokoshin, Fedor/E-2795-2012; Canelli, Florencia/O-9693-2016; Scodellaro, Luca/K-9091-2014; Grinstein, Sebastian/N-3988-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; unalan, zeynep/C-6660-2015; Lazzizzera, Ignazio/E-9678-2015; Cabrera Urban, Susana/H-1376-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Chiarelli, Giorgio/E-8953-2012; Muelmenstaedt, Johannes/K-2432-2015; Ivanov, Andrew/A-7982-2013; Moon, Chang-Seong/J-3619-2014; Ruiz, Alberto/E-4473-2011; manca, giulia/I-9264-2012; Punzi, Giovanni/J-4947-2012; Amerio, Silvia/J-4605-2012; Annovi, Alberto/G-6028-2012; Zeng, Yu/C-1438-2013; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014 OI Introzzi, Gianluca/0000-0002-1314-2580; Piacentino, Giovanni/0000-0001-9884-2924; Martinez Ballarin, Roberto/0000-0003-0588-6720; Gorelov, Igor/0000-0001-5570-0133; Prokoshin, Fedor/0000-0001-6389-5399; Canelli, Florencia/0000-0001-6361-2117; Scodellaro, Luca/0000-0002-4974-8330; Grinstein, Sebastian/0000-0002-6460-8694; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; unalan, zeynep/0000-0003-2570-7611; Lazzizzera, Ignazio/0000-0001-5092-7531; ciocci, maria agnese /0000-0003-0002-5462; Chiarelli, Giorgio/0000-0001-9851-4816; Muelmenstaedt, Johannes/0000-0003-1105-6678; Ivanov, Andrew/0000-0002-9270-5643; Moon, Chang-Seong/0000-0001-8229-7829; Ruiz, Alberto/0000-0002-3639-0368; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Warburton, Andreas/0000-0002-2298-7315; FU U.S. Department of Energy; Italian Istituto Nazionale di Fisica Nucleare; Ministry of Education, Culture, Sports, Science and Technology of Japan; Natural Sciences and Engineering Research Council of Canada; National Science Council of the Republic of China; Swiss National Science Foundation; A.P. Sloan Foundation; Bundesministerium fur Bildung und Forschung, Germany; World Class University Program; Science and Technology Facilities Council; Institut National de Physique Nucleaire et Physique des Particules/CNRS; Russian Foundation for Basic Research; Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; Slovak RD Agency; Academy of Finland; National Science Foundation; National Research Foundation of Korea; Royal Society, UK FX We thank the Fermilab staff and the technical staffs of the participating institutions for their vital contributions. This work was supported by the U.S. Department of Energy and National Science Foundation; the Italian Istituto Nazionale di Fisica Nucleare; the Ministry of Education, Culture, Sports, Science and Technology of Japan; the Natural Sciences and Engineering Research Council of Canada; the National Science Council of the Republic of China; the Swiss National Science Foundation; the A.P. Sloan Foundation; the Bundesministerium fur Bildung und Forschung, Germany; the World Class University Program, the National Research Foundation of Korea; the Science and Technology Facilities Council and the Royal Society, UK; the Institut National de Physique Nucleaire et Physique des Particules/CNRS; the Russian Foundation for Basic Research; the Ministerio de Ciencia e Innovacion, and Programa Consolider-Ingenio 2010, Spain; the Slovak R&D Agency; and the Academy of Finland. NR 24 TC 52 Z9 52 U1 1 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 201801 DI 10.1103/PhysRevLett.104.201801 PG 8 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900011 ER PT J AU Guan, PF Chen, MW Egami, T AF Guan, Pengfei Chen, Mingwei Egami, Takeshi TI Stress-Temperature Scaling for Steady-State Flow in Metallic Glasses SO PHYSICAL REVIEW LETTERS LA English DT Article ID LENNARD-JONES MIXTURE; MODE-COUPLING THEORY; MOLECULAR-DYNAMICS; VISCOSITY; LIQUID AB Through computer simulation of steady-state flow in a Zr50Cu40Al10 metallic glass using a set of realistic potentials we find a simple scaling relationship between temperature and stress as they affect viscosity. The scaling relationship provides new insight into the microscopic mechanism of shear flow in the glassy state, in terms of the elastic energy of the applied stress modifying the local energy landscape. The results suggest that the plastic flow and mechanical failure in metallic glasses are consequences of stress-induced glass transition. C1 [Guan, Pengfei; Chen, Mingwei; Egami, Takeshi] Tohoku Univ, WPI Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan. [Egami, Takeshi] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Egami, Takeshi] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Egami, Takeshi] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Guan, PF (reprint author), Tohoku Univ, WPI Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan. RI Chen, Mingwei/A-4855-2010; Guan, Pengfei/B-7653-2013 OI Chen, Mingwei/0000-0002-2850-8872; FU World Premier International Research Center (WPI) Initiative for Atoms, Molecules and Materials; Tohoku University, MEXT, Japan; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC05-00OR-22725] FX We thank M. Falk, S. Sastry, L. Berthier, T. Haxton, and A. P. Sokolov for useful discussions, and T. Fujita and H. Sheng for help in the MD simulations. The work was supported by World Premier International Research Center (WPI) Initiative for Atoms, Molecules and Materials; Global COE, Materials Integration Center of Education and Research, Tohoku University, MEXT, Japan (P. G. and M. C.), and by the U.S. Department of Energy, Office of Basic Energy Sciences through Contract No. DE-AC05-00OR-22725 (T. E.). We also would like to thank the Center for Computational Materials Science, Institute for Materials Research, Tohoku University for supporting the use of the Hitachi SR11000 (model K2) supercomputing system. NR 25 TC 103 Z9 105 U1 5 U2 95 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 205701 DI 10.1103/PhysRevLett.104.205701 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900026 PM 20867037 ER PT J AU Jo, JY Sichel, RJ Lee, HN Nakhmanson, SM Dufresne, EM Evans, PG AF Jo, Ji Young Sichel, Rebecca J. Lee, Ho Nyung Nakhmanson, Serge M. Dufresne, Eric M. Evans, Paul G. TI Piezoelectricity in the Dielectric Component of Nanoscale Dielectric-Ferroelectric Superlattices SO PHYSICAL REVIEW LETTERS LA English DT Article ID POLARIZATION ENHANCEMENT AB The origin of the functional properties of complex oxide superlattices can be resolved using time-resolved synchrotron x-ray diffraction into contributions from the component layers making up the repeating unit. The CaTiO(3) layers of a CaTiO(3)/BaTiO(3) superlattice have a piezoelectric response to an applied electric field, consistent with a large continuous polarization throughout the superlattice. The overall piezoelectric coefficient at large strains, 54 pm/V, agrees with first-principles predictions in which a tetragonal symmetry is imposed on the superlattice by the SrTiO(3) substrate. C1 [Jo, Ji Young; Sichel, Rebecca J.; Evans, Paul G.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Jo, Ji Young; Sichel, Rebecca J.; Evans, Paul G.] Univ Wisconsin, Mat Sci Program, Madison, WI 53706 USA. [Lee, Ho Nyung] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Nakhmanson, Serge M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Dufresne, Eric M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Jo, JY (reprint author), Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA. EM evans@engr.wisc.edu RI Evans, Paul/A-9260-2009; Nakhmanson, Serge/A-6329-2014; Lee, Ho Nyung/K-2820-2012 OI Evans, Paul/0000-0003-0421-6792; Lee, Ho Nyung/0000-0002-2180-3975 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-FG02-04ER46147]; Division of Materials Sciences and Engineering, U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, through Contract No. DE-FG02-04ER46147. H. N. L. acknowledges support from the Division of Materials Sciences and Engineering, U.S. Department of Energy, through Contract No. DE-AC05-00OR22725. S. M. N. and the use of the Advanced Photon Source were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 22 TC 18 Z9 18 U1 2 U2 31 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 207601 DI 10.1103/PhysRevLett.104.207601 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900055 PM 20867066 ER PT J AU Jorg, T Krzakala, F Semerjian, G Zamponi, F AF Joerg, Thomas Krzakala, Florent Semerjian, Guilhem Zamponi, Francesco TI First-Order Transitions and the Performance of Quantum Algorithms in Random Optimization Problems SO PHYSICAL REVIEW LETTERS LA English DT Article ID TRANSVERSE-FIELD; SPIN-GLASS; MODEL AB We present a study of the phase diagram of a random optimization problem in the presence of quantum fluctuations. Our main result is the characterization of the nature of the phase transition, which we find to be a first-order quantum phase transition. We provide evidence that the gap vanishes exponentially with the system size at the transition. This indicates that the quantum adiabatic algorithm requires a time growing exponentially with system size to find the ground state of this problem. C1 [Joerg, Thomas; Semerjian, Guilhem; Zamponi, Francesco] UPMC Paris 06, CNRS, UMR 8549, LPTENS, F-75005 Paris, France. [Krzakala, Florent] ESPCI ParisTech, CNRS, UMR Gulliver 7083, F-75005 Paris, France. [Krzakala, Florent] Los Alamos Natl Lab, Div T, Los Alamos, NM 87545 USA. [Krzakala, Florent] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Zamponi, Francesco] Princeton Univ, Princeton Ctr Theoret Sci, Princeton, NJ 08544 USA. RP Jorg, T (reprint author), UPMC Paris 06, CNRS, UMR 8549, LPTENS, 24 Rue Lhomond, F-75005 Paris, France. RI Krzakala, Florent/D-8846-2012; Zamponi, Francesco/B-4386-2008 NR 30 TC 35 Z9 35 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 207206 DI 10.1103/PhysRevLett.104.207206 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900048 PM 20867059 ER PT J AU Khodas, M Chiang, HS Hatke, AT Zudov, MA Vavilov, MG Pfeiffer, LN West, KW AF Khodas, M. Chiang, H. -S. Hatke, A. T. Zudov, M. A. Vavilov, M. G. Pfeiffer, L. N. West, K. W. TI Nonlinear Magnetoresistance Oscillations in Intensely Irradiated Two-Dimensional Electron Systems Induced by Multiphoton Processes SO PHYSICAL REVIEW LETTERS LA English DT Article ID CYCLOTRON-RESONANCE; GAS AB We report on magneto-oscillations in differential resistivity of a two-dimensional electron system subject to intense microwave radiation. The period of these oscillations is determined not only by microwave frequency but also by its intensity. A theoretical model based on quantum kinetics at high microwave power captures all important characteristics of this phenomenon which is strongly nonlinear in microwave intensity. Our results demonstrate a crucial role of the multiphoton processes near the cyclotron resonance and its harmonics in the presence of strong dc electric field and offer a unique way to reliably determine the intensity of microwaves acting on electrons. C1 [Khodas, M.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Chiang, H. -S.; Hatke, A. T.; Zudov, M. A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Vavilov, M. G.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Pfeiffer, L. N.; West, K. W.] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. RP Khodas, M (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RI Zudov, Michael/A-3013-2008; Vavilov, Maxim/C-1147-2009 FU NSF [DMR-0548014, DMR-0955500]; US DOE [DE-AC02-98 CH 10886]; BNL [08-002]; American Chemical Society FX We thank I. A. Dmitriev and B. I. Shklovskii for critical remarks. The work at Minnesota was supported by NSF Grant No. DMR-0548014. M. K. acknowledges support by the US DOE under Contract No. DE-AC02-98 CH 10886 and BNL Grant No. 08-002. M. V. was supported by the Donors of the American Chemical Society Petroleum Research Fund and NSF Grant No. DMR-0955500. NR 48 TC 32 Z9 32 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 206801 DI 10.1103/PhysRevLett.104.206801 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900038 PM 20867049 ER PT J AU Krycka, KL Booth, RA Hogg, CR Ijiri, Y Borchers, JA Chen, WC Watson, SM Laver, M Gentile, TR Dedon, LR Harris, S Rhyne, JJ Majetich, SA AF Krycka, K. L. Booth, R. A. Hogg, C. R. Ijiri, Y. Borchers, J. A. Chen, W. C. Watson, S. M. Laver, M. Gentile, T. R. Dedon, L. R. Harris, S. Rhyne, J. J. Majetich, S. A. TI Core-Shell Magnetic Morphology of Structurally Uniform Magnetite Nanoparticles SO PHYSICAL REVIEW LETTERS LA English DT Article ID SANS; HE-3 AB A new development in small-angle neutron scattering with polarization analysis allows us to directly extract the average spatial distributions of magnetic moments and their correlations with three-dimensional directional sensitivity in any magnetic field. Applied to a collection of spherical magnetite nanoparticles 9.0 nm in diameter, this enhanced method reveals uniformly canted, magnetically active shells in a nominally saturating field of 1.2 T. The shell thickness depends on temperature, and it disappears altogether when the external field is removed, confirming that these canted nanoparticle shells are magnetic, rather than structural, in origin. C1 [Krycka, K. L.; Borchers, J. A.; Chen, W. C.; Watson, S. M.; Gentile, T. R.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Booth, R. A.; Hogg, C. R.; Majetich, S. A.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Ijiri, Y.; Dedon, L. R.; Harris, S.] Oberlin Coll, Dept Phys & Astron, Oberlin, OH 44074 USA. [Chen, W. C.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Laver, M.] Paul Scherrer Inst, Villigen, Switzerland. [Rhyne, J. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Krycka, KL (reprint author), Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RI Majetich, Sara/B-1022-2015 OI Majetich, Sara/0000-0003-0848-9317 FU National Science Foundation [DMR-0454672, DMR-0704178, DMR-0804779]; Department of Energy [DE-FG02-08ER40481] FX This work utilized facilities supported in part by National Science Foundation grants DMR-0454672, DMR-0704178, and DMR-0804779 and Department of Energy grant DE-FG02-08ER40481. Development of the 3He spin filters was supported in part by the Department of Energy. We would like to thank Cedric Gagnon of the NIST Center for Neutron Research for his efforts in making this experiment successful. NR 23 TC 57 Z9 57 U1 5 U2 55 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 207203 DI 10.1103/PhysRevLett.104.207203 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900045 PM 20867056 ER PT J AU Krzakala, F Ricci-Tersenghi, F Zdeborova, L AF Krzakala, Florent Ricci-Tersenghi, Federico Zdeborova, Lenka TI Elusive Spin-Glass Phase in the Random Field Ising Model SO PHYSICAL REVIEW LETTERS LA English DT Article ID REPLICA SYMMETRY-BREAKING; RANDOM MAGNETIC-FIELDS; BETHE LATTICE; TRANSITION; SYSTEMS; STATE; INSTABILITY; DYNAMICS AB We show rigorously that the spin-glass susceptibility in the random field Ising model is always bounded by the ferromagnetic susceptibility, and therefore that no spin-glass phase can be present at equilibrium out of the ferromagnetic critical line. When the magnetization is, however, fixed to values smaller than the equilibrium value, a spin-glass phase can exist, as we show explicitly on the Bethe lattice. C1 [Krzakala, Florent] CNRS, F-75000 Paris, France. [Krzakala, Florent] ESPCI ParisTech, UMR Gulliver 7083, F-75000 Paris, France. [Krzakala, Florent; Zdeborova, Lenka] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Krzakala, Florent; Zdeborova, Lenka] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Ricci-Tersenghi, Federico] Univ Roma La Sapienza, Dipartimento Fis, IPCF CNR, UOS Roma,INFN Sez Roma 1, I-00185 Rome, Italy. RP Krzakala, F (reprint author), CNRS, 10 Rue Vauquelin, F-75000 Paris, France. RI Krzakala, Florent/D-8846-2012; Zdeborova, Lenka/B-9999-2014; OI Ricci-Tersenghi, Federico/0000-0003-4970-7376 NR 43 TC 28 Z9 28 U1 1 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 207208 DI 10.1103/PhysRevLett.104.207208 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900050 PM 20867061 ER PT J AU Natowitz, JB Ropke, G Typel, S Blaschke, D Bonasera, A Hagel, K Klahn, T Kowalski, S Qin, L Shlomo, S Wada, R Wolter, HH AF Natowitz, J. B. Roepke, G. Typel, S. Blaschke, D. Bonasera, A. Hagel, K. Klaehn, T. Kowalski, S. Qin, L. Shlomo, S. Wada, R. Wolter, H. H. TI Symmetry Energy of Dilute Warm Nuclear Matter SO PHYSICAL REVIEW LETTERS LA English DT Article ID EQUATION-OF-STATE; FINITE TEMPERATURE; MOTT TRANSITIONS; NEUTRON-STAR; HOT AB The symmetry energy of nuclear matter is a fundamental ingredient in the investigation of exotic nuclei, heavy-ion collisions, and astrophysical phenomena. New data from heavy-ion collisions can be used to extract the free symmetry energy and the internal symmetry energy at subsaturation densities and temperatures below 10 MeV. Conventional theoretical calculations of the symmetry energy based on mean-field approaches fail to give the correct low-temperature, low-density limit that is governed by correlations, in particular, by the appearance of bound states. A recently developed quantum-statistical approach that takes the formation of clusters into account predicts symmetry energies that are in very good agreement with the experimental data. A consistent description of the symmetry energy is given that joins the correct low-density limit with quasiparticle approaches valid near the saturation density. C1 [Natowitz, J. B.; Bonasera, A.; Hagel, K.; Kowalski, S.; Qin, L.; Shlomo, S.; Wada, R.] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. [Roepke, G.] Univ Rostock, Inst Phys, D-18055 Rostock, Germany. [Typel, S.] Tech Univ Munich, D-85748 Garching, Germany. [Typel, S.] GSI Helmholtzzentrum Schwerionenforsch GmbH, Theorie, D-64291 Darmstadt, Germany. [Blaschke, D.; Klaehn, T.] Uniwersytet Wroclawski, Inst Fiz Teoretycznej, PL-50204 Wroclaw, Poland. [Blaschke, D.] JINR Dubna, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. [Bonasera, A.] Ist Nazl Fis Nucl, Lab Nazl Sud, I-95123 Catania, Italy. [Klaehn, T.] Argonne Natl Lab, Theory Grp, Div Phys, Argonne, IL 60439 USA. [Wolter, H. H.] Univ Munich, Fak Phys, D-85748 Garching, Germany. RP Natowitz, JB (reprint author), Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. RI Kowalski, Seweryn/F-1156-2011; Natowitz, Joseph/D-4160-2015; OI Kowalski, Seweryn/0000-0001-9888-4008; Typel, Stefan/0000-0003-3238-9973 FU DFG; European Science Foundation; U.S. Department of Energy [DE-AC02-06CH11357, DE-FG03-93ER40773]; Robert A. Welch Foundation [A0330]; Polish Ministry for Research and Higher Education [N N 202 2318 37]; Russian Fund for Basic Research [08-02-01003-a] FX This research was supported by the DFG cluster of excellence "Origin and Structure of the Universe,'' by CompStar, a Research Networking Programme of the European Science Foundation, by U.S. Department of Energy Contract No. DE-AC02-06CH11357 (T.K.) and Grant No. DE-FG03-93ER40773 (Texas A&M), and by Robert A. Welch Foundation Grant No. A0330 (J.B.N.). D.B. acknowledges support from the Polish Ministry for Research and Higher Education, Grant No. N N 202 2318 37 and from the Russian Fund for Basic Research, Grant No. 08-02-01003-a. NR 29 TC 99 Z9 99 U1 1 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 202501 DI 10.1103/PhysRevLett.104.202501 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900012 PM 20867023 ER PT J AU Poltavets, VV Lokshin, KA Nevidomskyy, AH Croft, M Tyson, TA Hadermann, J Van Tendeloo, G Egami, T Kotliar, G ApRoberts-Warren, N Dioguardi, AP Curro, NJ Greenblatt, M AF Poltavets, Viktor V. Lokshin, Konstantin A. Nevidomskyy, Andriy H. Croft, Mark Tyson, Trevor A. Hadermann, Joke Van Tendeloo, Gustaaf Egami, Takeshi Kotliar, Gabriel ApRoberts-Warren, Nicholas Dioguardi, Adam P. Curro, Nicholas J. Greenblatt, Martha TI Bulk Magnetic Order in a Two-Dimensional Ni1+/Ni2+ (d(9)/d(8)) Nickelate, Isoelectronic with Superconducting Cuprates SO PHYSICAL REVIEW LETTERS LA English DT Article ID TEMPERATURE SUPERCONDUCTORS; LA; ND AB The Ni1+/Ni2+ states of nickelates have the identical (3d(9)/3d(8)) electronic configuration as Cu2+/Cu3+ in the high temperature superconducting cuprates, and are expected to show interesting properties. An intriguing question is whether mimicking the electronic and structural features of cuprates would also result in superconductivity in nickelates. Here we report experimental evidence for a bulklike magnetic transition in La4Ni3O8 at 105 K. Density functional theory calculations relate the transition to a spin density wave nesting instability of the Fermi surface. C1 [Poltavets, Viktor V.; Greenblatt, Martha] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. [Poltavets, Viktor V.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Lokshin, Konstantin A.; Egami, Takeshi] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Nevidomskyy, Andriy H.; Croft, Mark; Kotliar, Gabriel] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Tyson, Trevor A.] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. [Hadermann, Joke; Van Tendeloo, Gustaaf] Univ Antwerp, Electron Microscopy Mat Res EMAT, B-2020 Antwerp, Belgium. [Egami, Takeshi] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Egami, Takeshi] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [ApRoberts-Warren, Nicholas; Dioguardi, Adam P.; Curro, Nicholas J.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Poltavets, VV (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. RI Hadermann, Joke/F-4644-2011; Curro, Nicholas/D-3413-2009; OI Curro, Nicholas/0000-0001-7829-0237; Nevidomskyy, Andriy/0000-0002-8684-7979; Poltavets, Viktor/0000-0001-5086-7743 FU NSF [DMR-0541911, DMR-0906943]; DOE [DEFG02-99ER45790]; DOE-BES [DEFG0207ER46402, DEFG0208ER46528, DE-AC0298CH10886] FX This work was supported by NSF DMR-0541911 (V. V. P., M. G.); NSF DMR-0906943 (G. K.); DOE DEFG02-99ER45790 (A. H. N.); DOE-BES DEFG0207ER46402 (T. A. T); DOE-BES DEFG0208ER46528 (K. A. L., T. E.); DOE-BES DE-AC0298CH10886 (M. C.). NR 23 TC 21 Z9 21 U1 1 U2 29 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 206403 DI 10.1103/PhysRevLett.104.206403 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900033 PM 20867044 ER PT J AU Rellergert, WG DeMille, D Greco, RR Hehlen, MP Torgerson, JR Hudson, ER AF Rellergert, Wade G. DeMille, D. Greco, R. R. Hehlen, M. P. Torgerson, J. R. Hudson, Eric R. TI Constraining the Evolution of the Fundamental Constants with a Solid-State Optical Frequency Reference Based on the Th-229 Nucleus SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRIC-FIELD GRADIENTS; ISOMER-SHIFT; CRYSTALS; TRANSITION; SCHEME; DECAY; METAL AB We describe a novel approach to directly measure the energy of the narrow, low-lying isomeric state in Th-229. Since nuclear transitions are far less sensitive to environmental conditions than atomic transitions, we argue that the Th-229 optical nuclear transition may be driven inside a host crystal with a high transition Q. This technique might also allow for the construction of a solid-state optical frequency reference that surpasses the short-term stability of current optical clocks, as well as improved limits on the variability of fundamental constants. Based on analysis of the crystal lattice environment, we argue that a precision (short-term stability) of 3 x 10(-17) < Delta f/f < 1 x 10(-15) after 1 s of photon collection may be achieved with a systematic-limited accuracy (long-term stability) of Delta f/f similar to 2 x 10(-16). Improvement by 10(2) - 10(3) of the constraints on the variability of several important fundamental constants also appears possible. C1 [Rellergert, Wade G.; Hudson, Eric R.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [DeMille, D.] Yale Univ, Dept Phys, New Haven, CT 06511 USA. [Greco, R. R.; Hehlen, M. P.; Torgerson, J. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rellergert, WG (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. FU U.S. DOE [DE-AC0205CH11231]; UCLRP [09-LR-04-120497-HUDE] FX The ALS is supported by the U.S. DOE under Contract No. DE-AC0205CH11231. This work is supported by UCLRP Grant No. 09-LR-04-120497-HUDE. NR 40 TC 67 Z9 67 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 200802 DI 10.1103/PhysRevLett.104.200802 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900008 PM 20867019 ER PT J AU Spahr, EJ Wen, L Stavola, M Boatner, LA Feldman, LC Tolk, NH Lupke, G AF Spahr, E. J. Wen, L. Stavola, M. Boatner, L. A. Feldman, L. C. Tolk, N. H. Luepke, G. TI Giant Enhancement of Hydrogen Transport in Rutile TiO2 at Low Temperatures SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIFFUSION; CRYSTALS; DEUTERIUM; SPECTRA; OXIDES AB Measurements of the O-H and O-D vibrational lifetimes show that the room-temperature hydrogen diffusion rate in rutile TiO2 can be enhanced by 9 orders of magnitude when stimulated by resonant infrared light. We find that the local oscillatory motion of the proton quickly couples to a wag-mode-assisted classical transfer process along the c channel with a jump rate of greater than 1 THz and a barrier height of 0.2 eV. This increase in proton transport rate at moderate temperatures provides new insight into hydrogen transport in solids, which could play a role in applications ranging from fuel cells to hydrogen production. C1 [Spahr, E. J.; Luepke, G.] Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. [Wen, L.; Stavola, M.] Lehigh Univ, Dept Phys, Bethlehem, PA 18015 USA. [Boatner, L. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Feldman, L. C.] Rutgers State Univ, Inst Adv Mat Devices & Nanotechnol, Piscataway, NJ 08854 USA. [Feldman, L. C.; Tolk, N. H.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RP Spahr, EJ (reprint author), Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. RI Boatner, Lynn/I-6428-2013 OI Boatner, Lynn/0000-0002-0235-7594 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-FGO2-99ER45781]; National Science Foundation [DMR 0855081, DMR 0802278] FX This work was supported in part by the U.S. Department of Energy, Office of Basic Energy Sciences under Grant No. DE-FGO2-99ER45781. Research at Oak Ridge National Laboratory is sponsored by Division of Materials Sciences and Engineering, U.S. Department of Energy. Work performed at C. W. M. and L. U. is supported by National Science Foundation Grants No. DMR 0855081 and No. DMR 0802278. The authors are grateful to W. B. Fowler and J. B. Varley for their helpful conversations. NR 20 TC 24 Z9 24 U1 2 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 205901 DI 10.1103/PhysRevLett.104.205901 PG 4 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900030 PM 20867041 ER PT J AU Teweldeberhan, AM Bonev, SA AF Teweldeberhan, A. M. Bonev, S. A. TI Comment On "Structural Prediction and Phase Transformation Mechanisms in Calcium at High Pressure" SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID DYNAMICS C1 [Teweldeberhan, A. M.; Bonev, S. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bonev, S. A.] Dalhousie Univ, Dept Phys, Halifax, NS B3H 3J5, Canada. RP Teweldeberhan, AM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 8 TC 6 Z9 6 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 21 PY 2010 VL 104 IS 20 AR 209601 DI 10.1103/PhysRevLett.104.209601 PG 1 WC Physics, Multidisciplinary SC Physics GA 599WX UT WOS:000277945900064 PM 20867075 ER PT J AU Krauss, LM Dodelson, S Meyer, S AF Krauss, Lawrence M. Dodelson, Scott Meyer, Stephan TI Primordial Gravitational Waves and Cosmology SO SCIENCE LA English DT Review ID INFLATIONARY UNIVERSE; GRAND UNIFICATION; POLARIZATION; FLATNESS; HORIZON; CMB AB The observation of primordial gravitational waves could provide a new and unique window on the earliest moments in the history of the universe and on possible new physics at energies many orders of magnitude beyond those accessible at particle accelerators. Such waves might be detectable soon, in current or planned satellite experiments that will probe for characteristic imprints in the polarization of the cosmic microwave background, or later with direct space-based interferometers. A positive detection could provide definitive evidence for inflation in the early universe and would constrain new physics from the grand unification scale to the Planck scale. C1 [Krauss, Lawrence M.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Krauss, Lawrence M.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Dodelson, Scott] Ctr Particle Astrophys, Fermi Natl Lab, Batavia, IL 60510 USA. [Dodelson, Scott; Meyer, Stephan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Dodelson, Scott; Meyer, Stephan] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Meyer, Stephan] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Meyer, Stephan] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Krauss, LM (reprint author), Arizona State Univ, Sch Earth & Space Explorat, POB 871404, Tempe, AZ 85287 USA. EM krauss@asu.edu FU U.S. Department of Energy's Office of Science (Arizona); NASA; NSF, Chicago FX We acknowledge a host of theoretical and experimental collaborators who have helped focus their energy and interest on new ideas that will play a crucial role in the detection of gravitational waves and whose work we have tried to outline here. Our own research is supported by the U.S. Department of Energy's Office of Science (Arizona), NASA, and the NSF for research at Chicago. NR 17 TC 22 Z9 22 U1 1 U2 11 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 21 PY 2010 VL 328 IS 5981 BP 989 EP 992 DI 10.1126/science.1179541 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 598YW UT WOS:000277877100030 PM 20489015 ER PT J AU Nelson, KE Weinstock, GM Highlander, SK Worley, KC Creasy, HH Wortman, JR Rusch, DB Mitreva, M Sodergren, E Chinwalla, AT Feldgarden, M Gevers, D Haas, BJ Madupu, R Ward, DV Birren, B Gibbs, RA Methe, B Petrosino, JF Strausberg, RL Sutton, GG White, OR Wilson, RK Durkin, S Gujja, S Howarth, C Kodira, CD Kyrpides, N Madupu, R Mehta, T Mitreva, M Muzny, DM Pearson, M Pepin, K Pati, A Qin, X Yandava, C Zeng, QD Zhang, L Berlin, AM Chen, L Hepburn, TA Johnson, J McCorrison, J Miller, J Minx, P Nusbaum, C Russ, C Sutton, GG Sykes, SM Tomlinson, CM Young, S Warren, WC Badger, J Crabtree, J Madupu, R Markowitz, VM Orvis, J Rusch, DB Sutton, GG Cree, A Ferriera, S Gillis, M Hemphill, LD Joshi, V Kovar, C Wetterstrand, KA Abouellleil, A Wollam, AM Buhay, CJ Ding, Y Dugan, S Fulton, LL Fulton, RS Holder, M Hostetler, J Sutton, GG Allen-Vercoe, E Badger, J Clifton, SW Earl, AM Farmer, CN Giglio, MG Liolios, K Surette, MG Sutton, GG Torralba, M Xu, Q Pohl, C Durkin, S Sutton, GG Wilczek-Boney, K Zhu, DH AF Nelson, Karen E. Weinstock, George M. Highlander, Sarah K. Worley, Kim C. Creasy, Heather Huot Wortman, Jennifer Russo Rusch, Douglas B. Mitreva, Makedonka Sodergren, Erica Chinwalla, Asif T. Feldgarden, Michael Gevers, Dirk Haas, Brian J. Madupu, Ramana Ward, Doyle V. Birren, BruceW. Gibbs, Richard A. Methe, Barbara Petrosino, Joseph F. Strausberg, Robert L. Sutton, Granger G. White, Owen R. Wilson, Richard K. Durkin, Scott Gujja, Sharvari Howarth, Clint Kodira, Chinnappa D. Kyrpides, Nikos Madupu, Ramana Mehta, Teena Mitreva, Makedonka Muzny, Donna M. Pearson, Matthew Pepin, Kymberlie Pati, Amrita Qin, Xiang Yandava, Chandri Zeng, Qiandong Zhang, Lan Berlin, Aaron M. Chen, Lei Hepburn, Theresa A. Johnson, Justin McCorrison, Jamison Miller, Jason Minx, Pat Nusbaum, Chad Russ, Carsten Sutton, Granger G. Sykes, Sean M. Tomlinson, Chad M. Young, Sarah Warren, Wesley C. Badger, Jonathan Crabtree, Jonathan Madupu, Ramana Markowitz, Victor M. Orvis, Joshua Rusch, Douglas B. Sutton, Granger G. Cree, Andrew Ferriera, Steve Gillis, Marcus Hemphill, Lisa D. Joshi, Vandita Kovar, Christie Wetterstrand, Kris A. Abouellleil, Amr Wollam, Aye M. Buhay, Christian J. Ding, Yan Dugan, Shannon Fulton, Lucinda L. Fulton, Robert S. Holder, Mike Hostetler, Jessica Sutton, Granger G. Allen-Vercoe, Emma Badger, Jonathan Clifton, Sandra W. Earl, Ashlee M. Farmer, Candace N. Giglio, Michelle Gwinn Liolios, Konstantinos Surette, Michael G. Sutton, Granger G. Torralba, Manolito Xu, Qiang Pohl, Craig Durkin, Scott Sutton, Granger G. Wilczek-Boney, Katarzyna Zhu, Dianhui CA Human Microbiome Jumpstart TI A Catalog of Reference Genomes from the Human Microbiome SO SCIENCE LA English DT Article ID GUT MICROBIOME; PAN-GENOME AB The human microbiome refers to the community of microorganisms, including prokaryotes, viruses, and microbial eukaryotes, that populate the human body. The National Institutes of Health launched an initiative that focuses on describing the diversity of microbial species that are associated with health and disease. The first phase of this initiative includes the sequencing of hundreds of microbial reference genomes, coupled to metagenomic sequencing from multiple body sites. Here we present results from an initial reference genome sequencing of 178 microbial genomes. From 547,968 predicted polypeptides that correspond to the gene complement of these strains, previously unidentified ("novel") polypeptides that had both unmasked sequence length greater than 100 amino acids and no BLASTP match to any nonreference entry in the nonredundant subset were defined. This analysis resulted in a set of 30,867 polypeptides, of which 29,987 (similar to 97%) were unique. In addition, this set of microbial genomes allows for similar to 40% of random sequences from the microbiome of the gastrointestinal tract to be associated with organisms based on the match criteria used. Insights into pan-genome analysis suggest that we are still far from saturating microbial species genetic data sets. In addition, the associated metrics and standards used by our group for quality assurance are presented. C1 [Nelson, Karen E.; Rusch, Douglas B.; Methe, Barbara; Strausberg, Robert L.; Sutton, Granger G.; Durkin, Scott; Johnson, Justin; McCorrison, Jamison; Miller, Jason; Ferriera, Steve; Gillis, Marcus; Hostetler, Jessica; Torralba, Manolito] J Craig Venter Inst, Rockville, MD 20850 USA. [Weinstock, George M.; Mitreva, Makedonka; Sodergren, Erica; Chinwalla, Asif T.; Wilson, Richard K.; Pepin, Kymberlie; Chen, Lei; Minx, Pat; Tomlinson, Chad M.; Warren, Wesley C.; Wollam, Aye M.; Fulton, Lucinda L.; Fulton, Robert S.; Clifton, Sandra W.; Farmer, Candace N.; Pohl, Craig] Washington Univ, Sch Med, Genome Ctr, St Louis, MO 63108 USA. [Highlander, Sarah K.; Worley, Kim C.; Gibbs, Richard A.; Petrosino, Joseph F.; Muzny, Donna M.; Qin, Xiang; Zhang, Lan; Cree, Andrew; Hemphill, Lisa D.; Joshi, Vandita; Kovar, Christie; Buhay, Christian J.; Ding, Yan; Dugan, Shannon; Holder, Mike; Wilczek-Boney, Katarzyna; Zhu, Dianhui] Baylor Coll Med, Human Genome Sequencing Ctr, Houston, TX 77030 USA. [Highlander, Sarah K.] Baylor Coll Med, Dept Mol Virol & Microbiol, Houston, TX 77030 USA. [Gibbs, Richard A.; Qin, Xiang; Zhang, Lan; Cree, Andrew; Hemphill, Lisa D.; Joshi, Vandita; Kovar, Christie; Buhay, Christian J.; Ding, Yan; Dugan, Shannon; Holder, Mike; Wilczek-Boney, Katarzyna; Zhu, Dianhui] Baylor Coll Med, Dept Mol & Human Genet, Houston, TX 77030 USA. [Creasy, Heather Huot; Wortman, Jennifer Russo; White, Owen R.; Crabtree, Jonathan; Orvis, Joshua; Giglio, Michelle Gwinn] Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA. Univ Maryland, Sch Med, Dept Genet, Dept Med, Baltimore, MD 21201 USA. [Feldgarden, Michael; Gevers, Dirk; Haas, Brian J.; Ward, Doyle V.; Birren, BruceW.; Gujja, Sharvari; Howarth, Clint; Mehta, Teena; Mitreva, Makedonka; Pearson, Matthew; Yandava, Chandri; Zeng, Qiandong; Berlin, Aaron M.; Hepburn, Theresa A.; Nusbaum, Chad; Russ, Carsten; Sykes, Sean M.; Young, Sarah; Abouellleil, Amr; Earl, Ashlee M.] Broad Inst, Genome Sequencing & Anal Program, Cambridge, MA 02142 USA. Univ Maryland, Sch Med, Dept Epidemiol & Prevent Med, Baltimore, MD 21201 USA. [Kodira, Chinnappa D.] Genome Sequencing & Anal Program, Branford, CT 06405 USA. [Kyrpides, Nikos; Pati, Amrita; Liolios, Konstantinos] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Badger, Jonathan] J Craig Venter Inst, La Jolla, CA 92121 USA. [Markowitz, Victor M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA. [Wetterstrand, Kris A.] NHGRI, Bethesda, MD 20892 USA. [Allen-Vercoe, Emma] Univ Guelph, Guelph, ON N1G 2W1, Canada. [Surette, Michael G.] Univ Calgary, Calgary, AB T2N 4N1, Canada. [Xu, Qiang] Osel Inc, Santa Clara, CA 95054 USA. RP Nelson, KE (reprint author), J Craig Venter Inst, 9704 Med Ctr Dr, Rockville, MD 20850 USA. EM kenelson@jcvi.org RI Weinstock, George/C-6314-2013; Kyrpides, Nikos/A-6305-2014; OI Weinstock, George/0000-0002-2997-4592; Kyrpides, Nikos/0000-0002-6131-0462; Wortman, Jennifer/0000-0002-8713-1227; Earl, Ashlee/0000-0001-7857-9145 FU NIH [N01 AI 30071, U54-AI084844, U54-HG003079, U54-HG004968, U54-HG003273, U54-HG004973, HHSN272200900017C, U54-HG004969]; Crohn's and Colitis Foundation of Canada; Fund for Scientific Research, Flanders (Belgium); Canadian Cystic Fibrosis Foundation; Canadian Institutes of Health Research FX The authors gratefully acknowledge J. Warren, J. Zhang, R. G. Fowler, P. Pham, D. Haft, J. Selengut, T. Davidsen, P. Goetz, D. Harkins, S. Shrivastava, S. Koren, B. Walenz, L. Foster, I. Singh, Y.-h. Rogers, and the J. Craig Venter Institute Joint Technology Center. We thank J. Xu, S.-P. Yang, and S. Schobel for bioinformatics support; the Broad Genome Sequencing Platform, Y. Han, V. Korchina, M. Scheel, R. Thornton and the BCM-HGSC production team, L. Courntey, C. Fronick, O. Hall, M. O'Laughlin, M. Cunningham, D. O'Brien, B. Theising, and the GCWU production team for sequencing; J. Gordon, F. Dewhirst, B. Wilson, B. White, R. Mandrell, M. Blaser, R. H. Stevens, S. Hillier, Y. Liu, Z. Shen, D. Schauer, J. Fox, M. Allison, C. D. Sibley, D. M. Saulnier, and G. R. Gibson for providing strains; and M. Y. Giovanni, C. L. Baker, V. Bonazzi, C. D. Deal, S. Garges, R. W. Karp, R. W. Lunsford, J. Peterson, M. Wright, T. T. Belachew, and C. R. Wellington for funding agency management. We acknowledge NIH for funding this project with grants to the J. Craig Venter Institute (grants N01 AI 30071 and U54-AI084844), Washington University (grants U54-HG003079 and U54-HG004968), Baylor College of Medicine (grants U54-HG003273 and U54-HG004973), and the Broad Institute (grants HHSN272200900017C and U54-HG004969). Funding for E. A.-V. was from the Crohn's and Colitis Foundation of Canada; D. G. had secondary affiliation at the Laboratory of Microbiology (WE 10), Department of Biochemistry and Microbiology, Faculty of Sciences, Ghent University, KL Ledeganckstraat 35, 9000 Ghent, Belgium, and is indebted to the Fund for Scientific Research, Flanders (Belgium), for a postdoctoral fellowship and research funding for the duration of this project; M. S. acknowledges the Canadian Cystic Fibrosis Foundation and the Canadian Institutes of Health Research for funding of his research for this project. NR 15 TC 288 Z9 295 U1 4 U2 66 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 21 PY 2010 VL 328 IS 5981 BP 994 EP 999 DI 10.1126/science.1183605 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 598YW UT WOS:000277877100032 ER PT J AU Bostwick, A Speck, F Seyller, T Horn, K Polini, M Asgari, R MacDonald, AH Rotenberg, E AF Bostwick, Aaron Speck, Florian Seyller, Thomas Horn, Karsten Polini, Marco Asgari, Reza MacDonald, Allan H. Rotenberg, Eli TI Observation of Plasmarons in Quasi-Freestanding Doped Graphene SO SCIENCE LA English DT Article ID LAYER GRAPHENE; ELECTRON-GAS; PHOTOEMISSION AB A hallmark of graphene is its unusual conical band structure that leads to a zero-energy band gap at a single Dirac crossing point. By measuring the spectral function of charge carriers in quasi-freestanding graphene with angle-resolved photoemission spectroscopy, we showed that at finite doping, this well-known linear Dirac spectrum does not provide a full description of the charge-carrying excitations. We observed composite "plasmaron" particles, which are bound states of charge carriers with plasmons, the density oscillations of the graphene electron gas. The Dirac crossing point is resolved into three crossings: the first between pure charge bands, the second between pure plasmaron bands, and the third a ring-shaped crossing between charge and plasmaron bands. C1 [Bostwick, Aaron; Rotenberg, Eli] EO Lawrence Berkeley Lab, ALS, Berkeley, CA 94720 USA. [Speck, Florian; Seyller, Thomas] Univ Erlangen Nurnberg, Lehrstuhl Tech Phys, D-91058 Erlangen, Germany. [Horn, Karsten] Max Planck Gesell, Fritz Haber Inst, Dept Mol Phys, D-14195 Berlin, Germany. [Polini, Marco] Scuola Normale Super Pisa, I-56126 Pisa, Italy. [Polini, Marco] CNR, Ist Nanosci, I-56126 Pisa, Italy. [Asgari, Reza] Inst Res Fundamental Sci, Sch Phys, Tehran 193955531, Iran. [MacDonald, Allan H.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. RP Rotenberg, E (reprint author), EO Lawrence Berkeley Lab, ALS, MS6-2100, Berkeley, CA 94720 USA. EM erotenberg@lbl.gov RI Rotenberg, Eli/B-3700-2009; Seyller, Thomas/F-8410-2011; Bostwick, Aaron/E-8549-2010; Polini, Marco/L-3419-2013 OI Rotenberg, Eli/0000-0002-3979-8844; Seyller, Thomas/0000-0002-4953-2142; FU Office of Science; Office of Basic Energy Sciences; U.S. Department of Energy [DE-AC02-05CH11231]; Deutsche Forschungsgemeinschaft [SE1087/5-1]; University of Erlangen-Nuremberg; Welch Foundation; Defense Applications Research Projects Agency; Program on Carbon Electronics for RF Applications FX The ALS is supported by the director of the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract DE-AC02-05CH11231. Work in Erlangen was supported by the Deutsche Forschungsgemeinschaft through research grant SE1087/5-1 and the Cluster of Excellence "Engineering of Advanced Materials" at the University of Erlangen-Nuremberg. A.H.M. was supported by the Welch Foundation and the Defense Applications Research Projects Agency, Program on Carbon Electronics for RF Applications. NR 32 TC 241 Z9 242 U1 14 U2 103 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 21 PY 2010 VL 328 IS 5981 BP 999 EP 1002 DI 10.1126/science.1186489 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 598YW UT WOS:000277877100033 PM 20489018 ER PT J AU Liu, J Grierson, DS Moldovan, N Notbohm, J Li, S Jaroenapibal, P O'Connor, SD Sumant, AV Neelakantan, N Carlisle, JA Turner, KT Carpick, RW AF Liu, J. Grierson, D. S. Moldovan, N. Notbohm, J. Li, S. Jaroenapibal, P. O'Connor, S. D. Sumant, A. V. Neelakantan, N. Carlisle, J. A. Turner, K. T. Carpick, R. W. TI Preventing Nanoscale Wear of Atomic Force Microscopy Tips Through the Use of Monolithic Ultrananocrystalline Diamond Probes SO SMALL LA English DT Article DE atomic force microscopy; diamond; mechanical properties; nanocrystalline materials; tribology ID SILICON-NITRIDE; THIN-FILMS; FRICTION; SURFACE; SCALE; NANOLITHOGRAPHY; FABRICATION; RESOLUTION; NANOTUBES; MECHANISM AB Nanoscale wear is a key limitation of conventional atomic force microscopy (AFM) probes that results in decreased resolution, accuracy, and reproducibility in probe-based imaging, writing, measurement, and nanomanufacturing applications. Diamond is potentially an ideal probe material due to its unrivaled hardness and stiffness, its low friction and wear, and its chemical inertness. However, the manufacture of monolithic diamond probes with. consistently shaped small-radius tips has not been previously achieved. The first wafer-level fabrication of monolithic ultrananocrystalline diamond (UNCD) probes with <5-nm grain sizes and smooth tips with radii of 30 40 nm is reported, which are obtained through a combination of micro fabrication and hot-filament chemical vapor deposition. Their nanoscale wear resistance under contact-mode scanning conditions is compared with that of conventional silicon nitride (SiNx) probes of similar geometry at two different relative humidity levels (approximate to 15 and approximate to 70%). While SiNx probes exhibit significant wear that further increases with humidity, UNCD probes show little measurable wear. The only significant degradation of the UNCD probes observed in one case is associated with removal of the initial seed layer of the UNCD film. The results show the potential of a new material for AFM probes and demonstrate a systematic approach to studying wear at the nanoscale. C1 [Liu, J.; Grierson, D. S.; Notbohm, J.; Li, S.; O'Connor, S. D.; Turner, K. T.] Univ Wisconsin, Madison, WI 53706 USA. [Jaroenapibal, P.; Carpick, R. W.] Univ Penn, Philadelphia, PA 19104 USA. [Moldovan, N.; Neelakantan, N.; Carlisle, J. A.] Adv Diamond Technol, Romeoville, IL 60446 USA. [Sumant, A. V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Turner, KT (reprint author), Univ Wisconsin, Madison, WI 53706 USA. EM kturner@engr.wisc.edu; carpick@seas.upenn.edu NR 64 TC 54 Z9 54 U1 3 U2 46 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1613-6810 EI 1613-6829 J9 SMALL JI Small PD MAY 21 PY 2010 VL 6 IS 10 BP 1140 EP 1149 DI 10.1002/smll.200901673 PG 10 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 609BH UT WOS:000278629300012 PM 20486220 ER PT J AU Finsterbusch, M Lussier, A Negusse, E Zhu, ZH Smith, RJ Schaefer, JA Idzerda, YU AF Finsterbusch, Martin Lussier, Alexandre Negusse, Ezana Zhu, Zihua Smith, Richard J. Schaefer, Juergen A. Idzerda, Yves U. TI Effect of Cr2O3 on the O-18 tracer incorporation in SOFC materials SO SOLID STATE IONICS LA English DT Article DE SOFC; Cr2O3; YSZ; LSCF; O-18; Diffusion ID OXIDE FUEL-CELLS; SURFACE EXCHANGE; OXYGEN-EXCHANGE; ALLOY; DEGRADATION; PEROVSKITE; CATHODES; INTERCONNECTS; ELECTROLYTES; PERFORMANCE AB Investigations of the impact of Cr2O3 overlayers on the oxygen self diffusion in two SOFC materials were conducted to gain insight into the Cr poisoning mechanism at the cathode side of solid oxide fuel cells (SOFCs) with stainless steel interconnects. High density Y0.15Zr0.85O2 (YSZ) and La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) sintered pellets were covered with 3 to 30 nm Cr overlayers that were subsequently oxidized, forming Cr2O3. Standard O-18 tracer diffusion experiments at 800 degrees C were performed and ToF-SIMS profiling revealed that the oxygen ion diffusion coefficients were unaffected by the thin Cr2O3 overlayers, which is predictable since they are a bulk property, but the extracted effective surface exchange coefficients varied with Cr2O3 overlayer thickness. Solid-state reaction measurements and electronic structure considerations concerning the surface exchange, led to the conclusion that the observed oxygen uptake hindrance for Cr2O3 capped LSCF and the slight increase of the surface exchange coefficient for Cr2O3 capped YSZ can be attributed to the electronic properties of Cr2O3. A critical thickness for Cr2O3 was determined to be 12 nm where the transition from decreasing cathode-performance to a Cr2O3-property-governed regime occurs. (C) 2010 Elsevier B.V. All rights reserved. C1 [Finsterbusch, Martin; Lussier, Alexandre; Negusse, Ezana; Smith, Richard J.; Idzerda, Yves U.] Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. [Finsterbusch, Martin; Schaefer, Juergen A.] Tech Univ Ilmenau, D-98693 Ilmenau, Germany. [Zhu, Zihua] Pacific NW Natl Lab, EMSL, Richland, WA 99354 USA. RP Finsterbusch, M (reprint author), Montana State Univ, Dept Phys, 264 EPS Bldg, Bozeman, MT 59717 USA. EM finsterbusch@physics.montana.edu RI Zhu, Zihua/K-7652-2012 FU Department of Energy [08NT0004115]; National Science Foundation [CBET-0709358] FX This work is supported by the Department of Energy under grant DE-08NT0004115 and by the National Science Foundation under grant CBET-0709358. Parts of this work were performed using the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The National Synchrotron Light Source is supported by the Department of Energy. NR 31 TC 14 Z9 14 U1 1 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2738 EI 1872-7689 J9 SOLID STATE IONICS JI Solid State Ion. PD MAY 21 PY 2010 VL 181 IS 13-14 BP 640 EP 645 DI 10.1016/j.ssi.2010.03.007 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 610RQ UT WOS:000278753000012 ER PT J AU Heitmann, K White, M Wagner, C Habib, S Higdon, D AF Heitmann, Katrin White, Martin Wagner, Christian Habib, Salman Higdon, David TI THE COYOTE UNIVERSE. I. PRECISION DETERMINATION OF THE NONLINEAR MATTER POWER SPECTRUM SO ASTROPHYSICAL JOURNAL LA English DT Article DE large-scale structure of universe; methods: numerical ID LARGE-SCALE STRUCTURE; N-BODY SIMULATIONS; BARYON ACOUSTIC-OSCILLATIONS; DARK-ENERGY CONSTRAINTS; WEAK-LENSING SURVEYS; COSMOLOGICAL SIMULATIONS; PERTURBATION-THEORY; GRAVITATIONAL-INSTABILITY; INITIAL CONDITIONS; CMB ANISOTROPIES AB Near-future cosmological observations targeted at investigations of dark energy pose stringent requirements on the accuracy of theoretical predictions for the nonlinear clustering of matter. Currently, N-body simulations comprise the only viable approach to this problem. In this paper, we study various sources of computational error and methods to control them. By applying our methodology to a large suite of cosmological simulations we show that results for the (gravity-only) nonlinear matter power spectrum can be obtained at 1% accuracy out to k similar to 1 h Mpc(-1). The key components of these high accuracy simulations are precise initial conditions, very large simulation volumes, sufficient mass resolution, and accurate time stepping. This paper is the first in a series of three; the final aim is a high-accuracy prediction scheme for the nonlinear matter power spectrum that improves current fitting formulae by an order of magnitude. C1 [Heitmann, Katrin] Los Alamos Natl Lab, ISR Div, ISR 1, Los Alamos, NM 87545 USA. [White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [White, Martin] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Wagner, Christian] AIP, D-14482 Potsdam, Germany. [Habib, Salman] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Higdon, David] Los Alamos Natl Lab, CCS Div, CCS 6, Los Alamos, NM 87545 USA. RP Heitmann, K (reprint author), Los Alamos Natl Lab, ISR Div, ISR 1, POB 1663, Los Alamos, NM 87545 USA. RI White, Martin/I-3880-2015 OI White, Martin/0000-0001-9912-5070 FU DOE [W-7405-ENG-36]; LDRD program at Los Alamos National Laboratory; NASA FX A special acknowledgment is due to supercomputing time awarded to us under the LANL Institutional Computing program and from the LRZ Munich under the German AstroGrid Initiative. Part of this research was supported by the DOE under contract W-7405-ENG-36. S. H., K. H., D. H., E. L., and C. W. acknowledge support from the LDRD program at Los Alamos National Laboratory. M.J.W. was supported in part by NASA and the DOE. We thank Nikhil Padmanabhan for useful discussions, Stefan Gottlober, and Anatoly Klypin for help with the ART comparison, and Volker Springel for making GADGET-2 publicly available. NR 55 TC 138 Z9 138 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 20 PY 2010 VL 715 IS 1 BP 104 EP 121 DI 10.1088/0004-637X/715/1/104 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 590HM UT WOS:000277216100010 ER PT J AU Acciari, VA Aliu, E Arlen, T Aune, T Bautista, M Beilicke, M Benbow, W Bottcher, M Boltuch, D Bradbury, SM Buckley, JH Bugaev, V Byrum, K Cannon, A Cesarini, A Ciupik, L Cui, W Dickherber, R Duke, C Falcone, A Finley, JP Finnegan, G Fortson, L Furniss, A Galante, N Gall, D Gibbs, K Gillanders, GH Godambe, S Grube, J Guenette, R Gyuk, G Hanna, D Holder, J Hui, CM Humensky, TB Imran, A Kaaret, P Karlsson, N Kertzman, M Kieda, D Konopelko, A Krawczynski, H Krennrich, F Lang, MJ Lamerato, A LeBohec, S Maier, G McArthur, S McCann, A McCutcheon, M Moriarty, P Mukherjee, R Ong, RA Otte, AN Pandel, D Perkins, JS Petry, D Pichel, A Pohl, M Quinn, J Ragan, K Reyes, LC Reynolds, PT Roache, E Rose, HJ Roustazadeh, P Schroedter, M Sembroski, GH Senturk, GD Smith, AW Steele, D Swordy, SP Tesic, G Theiling, M Thibadeau, S Varlotta, A Vassiliev, VV Vincent, S Wagner, RG Wakely, SP Ward, JE Weekes, TC Weinstein, A Weisgarber, T Williams, DA Wissel, S Wood, M Zitzer, B Ackermann, M Ajello, M Antolini, E Baldini, L Ballet, J Barbiellini, G Bastieri, D Bechtol, K Bellazzini, R Berenji, B Blandford, RD Bloom, ED Bonamente, E Borgland, AW Bouvier, A Bregeon, J Brigida, M Bruel, P Buehler, R Buson, S Caliandro, GA Cameron, RA Caraveo, PA Carrigan, S Casandjian, JM Cavazzuti, E Cecchi, C Celik, O Charles, E Chekhtman, A Cheung, CC Chiang, J Ciprini, S Claus, R Cohen-Tanugi, J Conrad, J Dermer, CD de Palma, F Silva, EDE Drell, PS Dubois, R Dumora, D Farnier, C Favuzzi, C Fegan, SJ Fortin, P Frailis, M Fukazawa, Y Funk, S Fusco, P Gargano, F Gasparrini, D Gehrels, N Germani, S Giebels, B Giglietto, N Giordano, F Giroletti, M Glanzman, T Godfrey, G Grenier, IA Grove, JE Guiriec, S Hays, E Horan, D Hughes, RE Johannesson, G Johnson, AS Johnson, WN Kamae, T Katagiri, H Kataoka, J Knodlseder, J Kuss, M Lande, J Latronico, L Lee, SH Garde, ML Longo, F Loparco, F Lott, B Lovellette, MN Lubrano, P Makeev, A Mazziotta, MN Michelson, PF Mitthumsiri, W Mizuno, T Moiseev, AA Monte, C Monzani, ME Morselli, A Moskalenko, IV Murgia, S Nolan, PL Norris, JP Nuss, E Ohno, M Ohsugi, T Omodei, N Orlando, E Ormes, JF Paneque, D Panetta, JH Pelassa, V Pepe, M Pesce-Rollins, M Piron, F Porter, TA Raino, S Rando, R Razzano, M Reimer, A Reimer, O Ripken, J Rodriguez, AY Roth, M Sadrozinski, HFW Sanchez, D Sander, A Scargle, JD Sgro, C Siskind, EJ Smith, PD Spandre, G Spinelli, P Strickman, MS Suson, DJ Takahashi, H Tanaka, T Thayer, JB Thayer, JG Thompson, DJ Tibaldo, L Torres, DF Tosti, G Tramacere, A Usher, TL Vasileiou, V Vilchez, N Vitale, V Waite, AP Wang, P Winer, BL Wood, KS Yang, Z Ylinen, T Ziegler, M AF Acciari, V. A. Aliu, E. Arlen, T. Aune, T. Bautista, M. Beilicke, M. Benbow, W. Boettcher, M. Boltuch, D. Bradbury, S. M. Buckley, J. H. Bugaev, V. Byrum, K. Cannon, A. Cesarini, A. Ciupik, L. Cui, W. Dickherber, R. Duke, C. Falcone, A. Finley, J. P. Finnegan, G. Fortson, L. Furniss, A. Galante, N. Gall, D. Gibbs, K. Gillanders, G. H. Godambe, S. Grube, J. Guenette, R. Gyuk, G. Hanna, D. Holder, J. Hui, C. M. Humensky, T. B. Imran, A. Kaaret, P. Karlsson, N. Kertzman, M. Kieda, D. Konopelko, A. Krawczynski, H. Krennrich, F. Lang, M. J. Lamerato, A. LeBohec, S. Maier, G. McArthur, S. McCann, A. McCutcheon, M. Moriarty, P. Mukherjee, R. Ong, R. A. Otte, A. N. Pandel, D. Perkins, J. S. Petry, D. Pichel, A. Pohl, M. Quinn, J. Ragan, K. Reyes, L. C. Reynolds, P. T. Roache, E. Rose, H. J. Roustazadeh, P. Schroedter, M. Sembroski, G. H. Senturk, G. Demet Smith, A. W. Steele, D. Swordy, S. P. Tesic, G. Theiling, M. Thibadeau, S. Varlotta, A. Vassiliev, V. V. Vincent, S. Wagner, R. G. Wakely, S. P. Ward, J. E. Weekes, T. C. Weinstein, A. Weisgarber, T. Williams, D. A. Wissel, S. Wood, M. Zitzer, B. Ackermann, M. Ajello, M. Antolini, E. Baldini, L. Ballet, J. Barbiellini, G. Bastieri, D. Bechtol, K. Bellazzini, R. Berenji, B. Blandford, R. D. Bloom, E. D. Bonamente, E. Borgland, A. W. Bouvier, A. Bregeon, J. Brigida, M. Bruel, P. Buehler, R. Buson, S. Caliandro, G. A. Cameron, R. A. Caraveo, P. A. Carrigan, S. Casandjian, J. M. Cavazzuti, E. Cecchi, C. Celik, Oe. Charles, E. Chekhtman, A. Cheung, C. C. Chiang, J. Ciprini, S. Claus, R. Cohen-Tanugi, J. Conrad, J. Dermer, C. D. de Palma, F. do Couto e Silva, E. Drell, P. S. Dubois, R. Dumora, D. Farnier, C. Favuzzi, C. Fegan, S. J. Fortin, P. Frailis, M. Fukazawa, Y. Funk, S. Fusco, P. Gargano, F. Gasparrini, D. Gehrels, N. Germani, S. Giebels, B. Giglietto, N. Giordano, F. Giroletti, M. Glanzman, T. Godfrey, G. Grenier, I. A. Grove, J. E. Guiriec, S. Hays, E. Horan, D. Hughes, R. E. Johannesson, G. Johnson, A. S. Johnson, W. N. Kamae, T. Katagiri, H. Kataoka, J. Knoedlseder, J. Kuss, M. Lande, J. Latronico, L. Lee, S. -H. Garde, M. Llena Longo, F. Loparco, F. Lott, B. Lovellette, M. N. Lubrano, P. Makeev, A. Mazziotta, M. N. Michelson, P. F. Mitthumsiri, W. Mizuno, T. Moiseev, A. A. Monte, C. Monzani, M. E. Morselli, A. Moskalenko, I. V. Murgia, S. Nolan, P. L. Norris, J. P. Nuss, E. Ohno, M. Ohsugi, T. Omodei, N. Orlando, E. Ormes, J. F. Paneque, D. Panetta, J. H. Pelassa, V. Pepe, M. Pesce-Rollins, M. Piron, F. Porter, T. A. Raino, S. Rando, R. Razzano, M. Reimer, A. Reimer, O. Ripken, J. Rodriguez, A. Y. Roth, M. Sadrozinski, H. F. -W. Sanchez, D. Sander, A. Scargle, J. D. Sgro, C. Siskind, E. J. Smith, P. D. Spandre, G. Spinelli, P. Strickman, M. S. Suson, D. J. Takahashi, H. Tanaka, T. Thayer, J. B. Thayer, J. G. Thompson, D. J. Tibaldo, L. Torres, D. F. Tosti, G. Tramacere, A. Usher, T. L. Vasileiou, V. Vilchez, N. Vitale, V. Waite, A. P. Wang, P. Winer, B. L. Wood, K. S. Yang, Z. Ylinen, T. Ziegler, M. TI THE DISCOVERY OF gamma-RAY EMISSION FROM THE BLAZAR RGB J0710+591 SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE BL Lacertae objects: individual (RGB J0710+591, VER J0710+591); gamma rays: galaxies ID BL-LACERTAE OBJECTS; ATMOSPHERIC CHERENKOV TELESCOPES; ACTIVE GALACTIC NUCLEI; HOST GALAXIES; BACKGROUND-RADIATION; LAC OBJECTS; SAMPLE; CONSTRAINTS; ASTRONOMY; VERITAS AB The high-frequency-peaked BL Lacertae object RGB J0710+591 was observed in the very high-energy (VHE; E > 100 GeV) wave band by the VERITAS array of atmospheric Cherenkov telescopes. The observations, taken between 2008 December and 2009 March and totaling 22.1 hr, yield the discovery of VHE gamma rays from the source. RGB J0710+591 is detected at a statistical significance of 5.5 standard deviations (5.5 sigma) above the background, corresponding to an integral flux of (3.9 +/- 0.8) x 10(-12) cm(-2) s(-1) (3% of the Crab Nebula's flux) above 300 GeV. The observed spectrum can be fit by a power law from 0.31 to 4.6 TeV with a photon spectral index of 2.69 +/- 0.26(stat) +/- 0.20(sys). These data are complemented by contemporaneous multiwavelength data from the Fermi Large Area Telescope, the Swift X-ray Telescope, the Swift Ultra-Violet and Optical Telescope, and the Michigan-Dartmouth-MIT observatory. Modeling the broadband spectral energy distribution (SED) with an equilibrium synchrotron self-Compton model yields a good statistical fit to the data. The addition of an external-Compton component to the model does not improve the fit nor brings the system closer to equipartition. The combined Fermi and VERITAS data constrain the properties of the high-energy emission component of the source over 4 orders of magnitude and give measurements of the rising and falling sections of the SED. C1 [Acciari, V. A.; Benbow, W.; Galante, N.; Gibbs, K.; Perkins, J. S.; Roache, E.; Theiling, M.; Weekes, T. 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F. -W.; Ziegler, M.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Sadrozinski, H. F. -W.; Ziegler, M.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Scargle, J. D.] NASA, Ames Res Ctr, Div Space Sci, Moffett Field, CA 94035 USA. [Siskind, E. J.] NYCB Real Time Comp Inc, Lattingtown, NY 11560 USA. [Suson, D. J.] Purdue Univ Calumet, Dept Chem & Phys, Hammond, IN 46323 USA. [Torres, D. F.] ICREA, Barcelona, Spain. [Tramacere, A.] CIFS, I-10133 Turin, Italy. [Tramacere, A.] INTEGRAL Sci Data Ctr, CH-1290 Versoix, Switzerland. [Vitale, V.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Ylinen, T.] Royal Inst Technol KTH, Dept Phys, SE-10691 Stockholm, Sweden. [Ylinen, T.] Univ Kalmar, Sch Pure & Appl Nat Sci, SE-39182 Kalmar, Sweden. RP Acciari, VA (reprint author), Harvard Smithsonian Ctr Astrophys, Fred Lawrence Whipple Observ, Amado, AZ 85645 USA. EM jperkins@cfa.harvard.edu; fortin@llr.in2p3.fr RI Funk, Stefan/B-7629-2015; Thompson, David/D-2939-2012; Gehrels, Neil/D-2971-2012; Baldini, Luca/E-5396-2012; lubrano, pasquale/F-7269-2012; Morselli, Aldo/G-6769-2011; Nolan, Patrick/A-5582-2009; Kuss, Michael/H-8959-2012; giglietto, nicola/I-8951-2012; Reimer, Olaf/A-3117-2013; Tosti, Gino/E-9976-2013; Rando, Riccardo/M-7179-2013; Hays, Elizabeth/D-3257-2012; Johnson, Neil/G-3309-2014; Johannesson, Gudlaugur/O-8741-2015; Gargano, Fabio/O-8934-2015; Loparco, Francesco/O-8847-2015; Moskalenko, Igor/A-1301-2007; Mazziotta, Mario /O-8867-2015; Sgro, Carmelo/K-3395-2016; Torres, Diego/O-9422-2016; Orlando, E/R-5594-2016; OI Funk, Stefan/0000-0002-2012-0080; Thompson, David/0000-0001-5217-9135; lubrano, pasquale/0000-0003-0221-4806; Morselli, Aldo/0000-0002-7704-9553; giglietto, nicola/0000-0002-9021-2888; Reimer, Olaf/0000-0001-6953-1385; Johannesson, Gudlaugur/0000-0003-1458-7036; Gargano, Fabio/0000-0002-5055-6395; Loparco, Francesco/0000-0002-1173-5673; Moskalenko, Igor/0000-0001-6141-458X; Mazziotta, Mario /0000-0001-9325-4672; Torres, Diego/0000-0002-1522-9065; Cesarini, Andrea/0000-0002-8611-8610; Sgro', Carmelo/0000-0001-5676-6214; Cui, Wei/0000-0002-6324-5772; SPINELLI, Paolo/0000-0001-6688-8864; Rando, Riccardo/0000-0001-6992-818X; Frailis, Marco/0000-0002-7400-2135; Ward, John E/0000-0003-1973-0794; Caraveo, Patrizia/0000-0003-2478-8018 FU U.S. Department of Energy; U.S. National Science Foundation; Smithsonian Institution; NSERC in Canada; Science Foundation Ireland; STFC in the UK; National Aeronautics and Space Administration; Commissariat a l'Energie Atomique; Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France; Agenzia Spaziale Italiana; Istituto Nazionale di Fisica Nucleare in Italy; Ministry of Education, Culture, Sports, Science, and Technology (MEXT); High Energy Accelerator Research Organization (KEK) and Japan; Japan Aerospace Exploration Agency (JAXA) in Japan; K.A. Wallenberg Foundation; Swedish Research Council; Swedish National Space Board in Sweden; Istituto Nazionale di Astrofisica in Italy; Centre National d'Etudes Spatiales in France FX The VERITAS Collaboration acknowledges support from the U.S. Department of Energy, the U.S. National Science Foundation and the Smithsonian Institution, by NSERC in Canada, by Science Foundation Ireland, and by STFC in the UK. This research has made use of the NASA/IPAC Extragalactic Database (NED) which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration.; The Fermi LAT Collaboration acknowledges generous ongoing support from a number of agencies and institutes that have supported both the development and the operation of the LAT as well as scientific data analysis. These include the National Aeronautics and Space Administration and the Department of Energy in the United States, the Commissariat a l'Energie Atomique and the Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France, the Agenzia Spaziale Italiana and the Istituto Nazionale di Fisica Nucleare in Italy, the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), High Energy Accelerator Research Organization (KEK) and Japan Aerospace Exploration Agency (JAXA) in Japan, and the K.A. Wallenberg Foundation, the Swedish Research Council, and the Swedish National Space Board in Sweden.; Additional support for science analysis during the operations phase is gratefully acknowledged from the Istituto Nazionale di Astrofisica in Italy and the Centre National d'Etudes Spatiales in France. NR 44 TC 42 Z9 42 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD MAY 20 PY 2010 VL 715 IS 1 BP L49 EP L55 DI 10.1088/2041-8205/715/1/L49 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 590NM UT WOS:000277233200011 ER PT J AU Henderson, PT He, M Wang, S White, RD Lara, P Gandara, DR Mack, PC Dutia, MP Turteltaub, K Pan, C AF Henderson, P. T. He, M. Wang, S. White, R. de Vere Lara, P., Jr. Gandara, D. R. Mack, P. C. Dutia, M. P. Turteltaub, K. Pan, C. TI Phase 0 microdose trial to identify chemoresistance in lung and bladder cancer SO JOURNAL OF CLINICAL ONCOLOGY LA English DT Meeting Abstract C1 Univ Calif Davis, Sacramento, CA 95817 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC CLINICAL ONCOLOGY PI ALEXANDRIA PA 2318 MILL ROAD, STE 800, ALEXANDRIA, VA 22314 USA SN 0732-183X EI 1527-7755 J9 J CLIN ONCOL JI J. Clin. Oncol. PD MAY 20 PY 2010 VL 28 IS 15 SU S MA TPS336 PG 1 WC Oncology SC Oncology GA V30YT UT WOS:000208852002336 ER PT J AU Yuan, Y Paunesku, T Ward, J Vogt, S Woloschak, G AF Yuan, Y. Paunesku, T. Ward, J. Vogt, S. Woloschak, G. TI Uptake mechanisms of EGFR-targeted TiO2 nanoparticles. SO JOURNAL OF CLINICAL ONCOLOGY LA English DT Meeting Abstract C1 Northwestern Univ, Feinberg Sch Med, Chicago, IL 60611 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RI Paunesku, Tatjana/A-3488-2017; Woloschak, Gayle/A-3799-2017 OI Paunesku, Tatjana/0000-0001-8698-2938; Woloschak, Gayle/0000-0001-9209-8954 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC CLINICAL ONCOLOGY PI ALEXANDRIA PA 2318 MILL ROAD, STE 800, ALEXANDRIA, VA 22314 USA SN 0732-183X EI 1527-7755 J9 J CLIN ONCOL JI J. Clin. Oncol. PD MAY 20 PY 2010 VL 28 IS 15 SU S MA e13583 PG 1 WC Oncology SC Oncology GA V30YT UT WOS:000208852000442 ER PT J AU Densmore, JD Warsa, JS Lowrie, RB AF Densmore, Jeffery D. Warsa, James S. Lowrie, Robert B. TI Stability analysis and time-step limits for a Monte Carlo Compton-scattering method SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Radiative transfer; Compton scattering; Monte Carlo; Stability analysis; Time-step limit ID RADIATIVE-TRANSFER; ELECTRONS; EQUATION AB A Monte Carlo method for simulating Compton scattering in high energy density applications has been presented that models the photon-electron collision kinematics exactly [E. Canfield, W M Howard, E P bang, Inverse Comptonization by one-dimensional relativistic electrons. Astrophys J 323 (1987) 565]. However, implementing this technique typically requires an explicit evaluation of the material temperature, which can lead to unstable and oscillatory solutions In this paper, we perform a stability analysis of this Monte Carlo method and develop two time-step limits that avoid undesirable behavior The first time-step limit prevents instabilities, while the second, more restrictive time-step lima avoids both instabilities and nonphysical oscillations. With a set of numerical examples, we demonstrate the efficacy of these time-step limits. (C) 2010 Elsevier Inc All rights reserved. C1 [Densmore, Jeffery D.; Warsa, James S.; Lowrie, Robert B.] Los Alamos Natl Lab, Computat Phys & Methods Grp, Los Alamos, NM 87545 USA. RP Densmore, JD (reprint author), Los Alamos Natl Lab, Computat Phys & Methods Grp, POB 1663,MS D409, Los Alamos, NM 87545 USA. OI Lowrie, Robert/0000-0001-5537-9183 FU US government [DE-AC52-06NA25396] FX This work was performed under US government contract DE-AC52-06NA25396 for Los Alamos National Laboratory, which is operated by Los Alamos National Security, LLC, for the US Department of Energy NR 19 TC 1 Z9 1 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD MAY 20 PY 2010 VL 229 IS 10 BP 3691 EP 3705 DI 10.1016/j.jcp.2010.01.022 PG 15 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 584WL UT WOS:000276784300008 ER PT J AU Infante, I Kovacs, A La Macchia, G Shahi, ARM Gibson, JK Gagliardi, L AF Infante, Ivan Kovacs, Attila La Macchia, Giovanni Shahi, Abdul Rehaman Moughal Gibson, John K. Gagliardi, Laura TI Ionization Energies for the Actinide Mono- and Dioxides Series, from Th to Cm: Theory versus Experiment SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RELATIVISTIC QUANTUM-CHEMISTRY; COUPLED-CLUSTER METHOD; ANO BASIS-SETS; ELECTRONIC-STRUCTURE; GAS-PHASE; GROUND-STATE; 2ND-ORDER PERTURBATION; CHEMICAL METHODS; UO2 MOLECULE; OXIDE VAPORS AB The results of a computational study with multiconfigurational quantum chemical methods on actinide monoxides (AnO) and dioxides (AnO(2)) for An = Th, Pa, U, Np, Pu, Am, and Cm, are presented. First and second ionization energies were determined and compared with experimental values, when available. The trend along the series is analyzed in terms of the electronic configurations of the various species. The agreement with experiment is excellent in most cases. Of particular interest is the first ionization of PuO(2). We applied cutting-edge theoretical methods to refine the ionization energy, but our computed data fall in the range of similar to 6 eV and not in the similar to 7 eV region as the experiment dictates. Such a system requires further computational and experimental attention. C1 [Infante, Ivan] Euskal Herriko Unibertsitatea, Kim Fak, Donostia San Sebastian 20080, Euskadi, Spain. [Infante, Ivan] DIPC, Donostia San Sebastian 20080, Euskadi, Spain. [Kovacs, Attila] Budapest Univ Technol & Econ, Hungarian Acad Sci, Res Grp Mat Struct & Modeling, H-1111 Budapest, Hungary. [La Macchia, Giovanni; Shahi, Abdul Rehaman Moughal] Univ Geneva, Dept Phys Chem, CH-1211 Geneva, Switzerland. [Gibson, John K.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Gagliardi, Laura] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [Gagliardi, Laura] Inst Supercomp, Minneapolis, MN 55455 USA. RP Infante, I (reprint author), Euskal Herriko Unibertsitatea, Kim Fak, PK 1072, Donostia San Sebastian 20080, Euskadi, Spain. EM iinfant76@gmail.com; gagliard@umn.edu RI Kovacs, Attila/B-5051-2010; Moughal Shahi, Abdul Rehaman/A-7831-2012; Infante, Ivan/A-1912-2011; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014 OI Infante, Ivan/0000-0003-3467-9376; FU Office of Basic Energy Sciences, U.S. Department of Energy (U. Minn.) [USDOE/DE-SC002183]; Office of Basic Energy Sciences, U.S. Department of Energy (LBNL) [DE-AC02-05CH11231]; Swiss National Science Foundation [200020-120007]; European Commission [211690]; Hungarian Scientific Research Foundation (OTKA) [75972] FX This work was supported by the Director, Office of Basic Energy Sciences, U.S. Department of Energy under Contract Nos. USDOE/DE-SC002183 (U. Minn.) and DE-AC02-05CH11231 (LBNL), the Swiss National Science Foundation (grant No. 200020-120007) and the seventh Framework Programme of the European Commission (Collaboration Project No. 211690), and the Hungarian Scientific Research Foundation (OTKA No. 75972). NR 64 TC 32 Z9 32 U1 4 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 20 PY 2010 VL 114 IS 19 BP 6007 EP 6015 DI 10.1021/jp1016328 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 593YU UT WOS:000277500100008 PM 20329784 ER PT J AU Shi, W Sorescu, DC Luebke, DR Keller, MJ Wickramanayake, S AF Shi, Wei Sorescu, Dan C. Luebke, David R. Keller, Murphy J. Wickramanayake, Shan TI Molecular Simulations and Experimental Studies of Solubility and Diffusivity for Pure and Mixed Gases of H-2, CO2, and Ar Absorbed in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(Trifluoromethylsulfonyl)amide ([hmim][Tf2N]) SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MONTE-CARLO SIMULATIONS; LOW-PRESSURE SOLUBILITY; CARBON-DIOXIDE; ATOMISTIC SIMULATION; TRANSPORT-PROPERTIES; PHASE-BEHAVIOR; 1-N-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; 283 K; MIXTURES; WATER AB Classical molecular dynamics and Monte Carlo simulations are used to calculate the self-diffusivity and solubility of pure and mixed CO2, H-2, and Ar gases absorbed in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]). Overall, the computed absorption isotherms, Henry's law constants, and partial molar enthalpies for pure H-2 agree well with the experimental data obtained by Maurer et al. [J. Chem. Eng. Data 2006, 51, 1364] and the experimental values determined in this work. However, the agreement is poor between the simulations and the experimental data by Noble et al. Find. Eng. Chem. Res. 2008, 47, 3453] and Costa Gomes [J. Chem. Eng. Data 2007, 52, 472] at high temperatures. The computed H-2 permeability values are in good agreement with the experimental data at 313 K obtained by Luebke et al. [J. Membr. Sci. 2007, 298, 41; ibid, 2008, 322, 28], but about three times larger than the experimental value at 573 K from the same group. Our computed H-2 solubilities using different H-2 potential models have similar values and solute polarizations were found to have a negligible effect on the predicted gas solubilities for both the H-2 and Ar. The interaction between H-2 and the ionic liquid is weak, about three times smaller than between the ionic liquid and Ar and six times smaller than that of CO2 with the ionic liquid, results that are consistent with a decreasing solubility from CO2 to Ar and to H-2. The molar volume of the ionic liquid was found to be the determining factor for the H-2 solubility. For mixed H-2 and Ar gases, the solubilities for both solutes decrease compared to the respective pure gas solubilities. For mixed gases of CO2 and H-2, the solubility selectivity of CO2 over H-2 decreases from about 30 at 313 K to about 3 at 573 K. For the permeability, the simulated values for CO2 in [hmim][Tf2N] are about 20-60% different than the experimental data by Luebke et al. [J. Membr. Sci. 2008, 322, 28]. C1 [Shi, Wei; Sorescu, Dan C.; Luebke, David R.; Keller, Murphy J.; Wickramanayake, Shan] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Shi, Wei; Wickramanayake, Shan] URS Corp, South Pk, PA 15129 USA. RP Shi, W (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM shiw@netl.doc.gov FU National Energy Technology Laboratory under RES FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research in computational chemistry under the RES contract DE-FE0004000. NR 75 TC 33 Z9 35 U1 5 U2 91 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD MAY 20 PY 2010 VL 114 IS 19 BP 6531 EP 6541 DI 10.1021/jp101897b PG 11 WC Chemistry, Physical SC Chemistry GA 593YR UT WOS:000277499700035 PM 20415457 ER PT J AU Peng, XH Sfeir, MY Zhang, F Misewich, JA Wong, SS AF Peng, Xiaohui Sfeir, Matthew Y. Zhang, Fen Misewich, James A. Wong, Stanislaus S. TI Covalent Synthesis and Optical Characterization of Double-Walled Carbon Nanotube-Nanocrystal Heterostructures SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID FIELD-EMISSION PROPERTIES; IN-SITU GROWTH; QUANTUM-DOT; CDSE QUANTUM; ELECTRON-TRANSFER; METAL NANOPARTICLES; ARC-DISCHARGE; PHOTOLUMINESCENCE; CDTE; LUMINESCENCE AB The unique electronic structure and optical properties of double-walled carbon nanotubes (DWNTs) have made them a key focus material of research in recent years. However, the incorporation of DWNTs with quantum clots (QDs) into nanocomposites via a covalent chemical approach as well as the optical properties of the composites have rarely been explored. In particular, we have been interested in this model system to investigate whether nanomaterial heterostructures can provide efficient pathways for charge separation relative to loss mechanisms such as recombination. In this specific work, the synthesis of DWNT-CdSe QD heterostructures obtained by using a conventional covalent protocol has been demonstrated. CdSe QDs with terminal amino groups have been conjugated onto the surfaces of oxidized DWNTs by the formation of amide bonds. The observed trap emission of CdSe is thought to arise from the presence of 2-aminoethanethiol capping ligands and is effectively quenched upon conjugation with the DWNT surface because of the charge transfer from CdSe to DWNTs. C1 [Peng, Xiaohui; Zhang, Fen; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Sfeir, Matthew Y.; Misewich, James A.; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu RI Zhang, Fen/G-5015-2010; OI Sfeir, Matthew/0000-0001-5619-5722 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Science Foundation [DMR-0348239]; Alfred P. Sloan Foundation FX We acknowledge the U.S. Department of Energy (DE-AC02-98CH10886) for the spectroscopy work and for personnel support. Moreover, research carried out (in whole or in part, such as a few spectroscopy studies) at the Center for Functional Nanomaterials, Brookhaven National Laboratory, is also supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. We also thank the National Science Foundation (CAREER Award DMR-0348239) and the Alfred P. Sloan Foundation for PI support and for the synthesis, diffraction, TGA, and electron microscopy studies. Moreover, we are grateful to D. Wang (Boston College) as well as to S. van Horn (SUNY Stony Brook) for additional assistance with electron microscopy. NR 74 TC 19 Z9 19 U1 3 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 8766 EP 8773 DI 10.1021/jp100580h PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000012 ER PT J AU Zones, SI Hwang, SJ Olmstead, MM Teat, SJ Jackowski, A Burton, AW Kim, C AF Zones, S. I. Hwang, Son-Jong Olmstead, Marilyn M. Teat, Simon J. Jackowski, Anna Burton, Allen W. Kim, Chul TI A Most Unusual Zeolite Templating: Cage to Cage Connection of One Guest Molecule SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID STRUCTURE-DIRECTING AGENTS; ALL-SILICA ZEOLITE; SOLID-STATE NMR; FRAMEWORK TOPOLOGY; SIEVES; DIFFRACTION AB An unusual case of a diquaternary ammonium dication, with large bulky end groups built from the tropane moiety and connected by a C4 methylene chain, is found to reside in zeolite SSZ-35 (STF). The structure of the guest/host product is such that the tropane bicylic entities reside in the shallow cavities of the cages of the STF structure and the C4 methylene chain runs through the 10-ring (similar to 5.5 angstrom) window that connects the cages. This is a most unusual (and energy-intensive) templating of a zeolite structure with the guest molecule spanning two unit cells. The unusual result was found by single crystal studies with the addition of the use of the SQUEEZE program to show a consistent fit for the guest molecule following from measured electron densities in the crystal structure work. These analyses were followed with MAS NMR studies to confirm the integrity of the diquaternary guest molecule in the host sieve. A few comparative diquaternary guest molecules in MFI zeolite are also studied. C1 [Zones, S. I.; Jackowski, Anna; Burton, Allen W.] Chevron Energy Technol Co, Richmond, CA 94804 USA. [Hwang, Son-Jong] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Olmstead, Marilyn M.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Teat, Simon J.] Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Kim, Chul] Hannam Univ, Dept Chem, Taejon 306791, South Korea. RP Zones, SI (reprint author), Chevron Energy Technol Co, 100 Chevron Way, Richmond, CA 94804 USA. EM sizo@chevron.com FU Office of Basic Research Sciences, U.S. Department of Energy [DE-AC02-05CH11231]; Chevron Energy and Technology Co.; National Science Foundation (NSF) [9724240]; MRSEC [DMR-0520565] FX We thank the Office of Basic Research Sciences, U.S. Department of Energy, Contract No. DE-AC02-05CH11231 for support of beamline work. Chevron Energy and Technology Co. is thanked for support of the synthesis work that led to this discovery. The NMR facility at Caltech was supported by the National Science Foundation (NSF) under Grant No. 9724240 and partially supported by the MRSEC Program on the NSF under Award no. DMR-0520565. NR 41 TC 4 Z9 4 U1 1 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 8899 EP 8904 DI 10.1021/jp911442n PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000031 ER PT J AU Zarzycki, P Kerisit, S Rosso, KM AF Zarzycki, Piotr Kerisit, Sebastien Rosso, Kevin M. TI Molecular Dynamics Study of the Electrical Double Layer at Silver Chloride Electrolyte Interfaces SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID METAL OXIDE/ELECTROLYTE INTERFACE; WATER-LIKE PARTICLES; KINETIC MONTE-CARLO; AQUEOUS INTERFACE; PROTON BINDING; SURFACE-CHARGE; SIMULATION; POTENTIALS; OXIDE; CONSTANTS AB Molecular dynamics simulations of the electrical double layer at AgCl-aqueous electrolyte (KCl) interfaces are presented, accompanied by a new force field and properties of bulk AgCl computed using planewave density functional theory. Long dynamics simulations were performed to estimate ion adsorption free energies at the AuCl surface. The simulations demonstrate the formation of a bilayer hydration sheet composed of two sublayers of water molecules interconnected by hydrogen bonds. Potassium ions prefer to form an inner-sphere complex, whereas chloride ions prefer outer-sphere complexes. The adsorbed ion water layers form a relatively rigid structure within the range of ionic strength considered, which confirms the applicability of the Helmholtz model in a high concentration regime. Profiles of the charge density, electric field, and electrostatic potential across the simulation cell revealed that oscillations of water molecules govern these quantities. The electrostatic potential generated only by the electrolyte ions was used to study the quasi-Nernstian response of the silver chloride surface to the variation in the ionic strength. C1 [Zarzycki, Piotr; Kerisit, Sebastien; 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, POB 999,MSIN K8-96, Richland, WA 99352 USA. EM piotr.zarzycki@pnl.gov OI Zarzycki, Piotr/0000-0003-3891-7159 FU U.S. Department of Energy, Office of Basic Energy Sciences, Geosciences; Department of Energy's Office of Biological and Environmental Research FX We thank Niri Govind (Pacific Northwest National Laboratory) for helpful discussions. We also thank Steven Parker for granting access to the METADISE code. This work was supported by a grant from the U.S. Department of Energy, Office of Basic Energy Sciences, Geosciences Program. The research was performed using the Environmental Molecular Sciences Laboratory located at Pacific Northwest National Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research. NR 72 TC 17 Z9 17 U1 1 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 8905 EP 8916 DI 10.1021/jp9118666 PG 12 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000032 ER PT J AU Santagata, NM Lakhani, AM Davis, BF Luo, PS Nardelli, MB Pearl, TP AF Santagata, Nancy M. Lakhani, Amit M. Davis, Bryce F. Luo, Pengshun Nardelli, Marco Buongiorno Pearl, Thomas P. TI Chiral Steering of Molecular Organization in the Limit of Weak Adsorbate-Substrate Interactions: Enantiopure and Racemic Tartaric Acid Domains on Ag(111) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; DENSITY-FUNCTIONAL THEORY; ALANINE ADLAYERS; CU(110); ADSORPTION; ENANTIOMERS; SURFACES; STM; DIFFRACTION; MONOLAYERS AB The influence of intermolecular interactions involving molecular chiral centers on two-dimensional organization in the limit of a weak adsorbate-surface interaction has been studied with low-temperature scanning tunneling microscopy (STM) and density functional theory (DFT). A model system composed of a chiral organic molecule, tartaric acid, and an inert metallic surface, Ag(111), was employed. Dual component films formed from the serial deposition of (S,S)- and (R,R)-tartaric acid enantiomers onto this surface exhibit homochiral domain formation as revealed by molecularly resolved STM images. In contrast, a unique tartaric acid enantiomeric heteropair is experimentally and computationally verified as the basis unit of films formed via the deposition of both enantiomers simultaneously from a racemic (1: 1) mixture. The molecular adsorption geometry relative to the Ag(111) lattice in both enantiomerically pure and racemic domains is determined primarily by the interaction of chiral centers between nearest neighbors. C1 [Santagata, Nancy M.; Lakhani, Amit M.; Davis, Bryce F.; Luo, Pengshun; Nardelli, Marco Buongiorno; Pearl, Thomas P.] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Nardelli, Marco Buongiorno] Oak Ridge Natl Lab, CSMD, Oak Ridge, TN 37831 USA. RP Pearl, TP (reprint author), N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. EM tppearl@ncsu.edu RI Buongiorno Nardelli, Marco/C-9089-2009; Luo, Pengshun/G-8009-2011 FU Army Research Office; Defense Threat Reduction Agency [W911NF-06-1-0266]; BES, U.S. DOE at ORNL with UT-Batelle, LLC [DE-FG02-98ER14847, DE-AC05-00OR22725] FX The authors thank Tyler J. Grassman and Sujata Paul for helpful discussions regarding the computational work. Support from the Army Research Office and the Defense Threat Reduction Agency, grant no. W911NF-06-1-0266, is gratefully acknowledged. Supercomputing resources were provided by the National Center for Computational Sciences at Oak Ridge National Laboratory and the High Performance Computing Center at North Carolina State University. This work has also been supported in part by BES, U.S. DOE at ORNL (DE-FG02-98ER14847 and DE-AC05-00OR22725 with UT-Batelle, LLC. NR 42 TC 11 Z9 11 U1 3 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 8917 EP 8925 DI 10.1021/jp912124v PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000033 ER PT J AU Zhou, WP Sasaki, K Su, D Zhu, YM Wang, JX Adzic, RR AF Zhou, Wei-Ping Sasaki, Kotaro Su, Dong Zhu, Yimei Wang, Jia X. Adzic, Radoslav R. TI Gram-Scale-Synthesized Pd2Co-Supported Pt Monolayer Electrocatalysts for Oxygen Reduction Reaction SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; PLATINUM-MONOLAYER; O-2 REDUCTION; IN-SITU; DISK ELECTRODE; PD CORES; ALLOY; METAL; SURFACES; NANOPARTICLES AB Gram-scale synthesis of Pt-ML electrocatalysts with a well-defined core shell structure has been carried out using method involving galvanic displacement of an underpotential deposition Cu layer. The Pt shell thickness can be controlled by stepwise deposition. The Pt@Pd2Co/C nanoparticles were characterized by X-ray powder diffraction, aberration-corrected scanning transmission electron microscopy, high-resolution energy-loss spectrometry, and in situ X-ray absorption spectroscopy. A complete Pt shell of 0.6 nm on a Pd2Co core has been confirmed. The Pt@Pd2Co/C core-shell electrocatalysts showed a very high activity for the oxygen reduction reaction; the Pt mass and specific activity were 0.72 A mg(pt)(-1) and 0.5 mA cm(-2), respectively (3.5 and 2.5 times higher than the corresponding values for commercial Pt catalysts), at 0.9 V in 0.1 M HClO4 at room temperature. In an accelerated potential cycling test, a loss in active surface area and a decrease in catalytic activity for gram-scale-synthesized Pt-ML catalysts were also determined. C1 [Zhou, Wei-Ping; Sasaki, Kotaro; Wang, Jia X.; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Su, Dong; Zhu, Yimei] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Adzic, RR (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM adzic@bnl.gov RI zhou, weiping/C-6832-2012; Wang, Jia/B-6346-2011; Su, Dong/A-8233-2013 OI zhou, weiping/0000-0002-8058-7280; Su, Dong/0000-0002-1921-6683 FU U.S. Department of Energy, Division of Chemical and Material Sciences [DE-AC02-98CH10886, DE-FG36-07GO17019] FX This work was supported in part by the U.S. Department of Energy, Division of Chemical and Material Sciences, under Contract DE-AC02-98CH10886, and in part under Contract DE-FG36-07GO17019. We thank Johnson Matthey Co. for providing part of the Pb2Co sample. NR 38 TC 41 Z9 42 U1 1 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 8950 EP 8957 DI 10.1021/jp100283p PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000037 ER PT J AU Alfonso, DR AF Alfonso, Dominic R. TI Computational Investigation of FeS2 Surfaces and Prediction of Effects of Sulfur Environment on Stabilities SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TRANSITION-METAL SULFIDES; DENSITY-FUNCTIONAL THEORY; MINERAL SURFACES; CRYSTAL-SURFACES; PYRITE SURFACES; IRON PYRITE; THIN-FILMS; REACTIVITY; DISSOLUTION; SIMULATION AB Density functional theory calculations were employed to investigate the (001), (210), (111), and (110) surfaces of FeS2. The surface free energies were calculated in equilibrium with a sulfur environment using first-principles based thermodynamics approach. Surfaces that feature metal atoms in their outermost layer are predicted to be higher in energy. Within the studied subset of (1 x 1) terminations, the stoichiometric (001) surface terminated by a layer of sulfur atoms is the most stable for sulfur-lean condition. For increasingly sulfur-rich environment, two structures were found to have notably lower surface energies compared to others. They have (210) and (111) orientation, both terminated by layers of sulfur. Interestingly, these surfaces are nonstoichiometric exhibiting an excess of sulfur atoms. C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Alfonso, DR (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM alfonso@netl.doe.gov NR 48 TC 26 Z9 26 U1 5 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 8971 EP 8980 DI 10.1021/jp100578n PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000040 ER PT J AU Lu, T Goldfield, EM Gray, SK AF Lu, Tun Goldfield, Evelyn M. Gray, Stephen K. TI Classical Trajectory Studies of the D + H-2 -> HD plus H Reaction Confined in Carbon Nanotubes: Effects of Collisions with the Nanotube Walls SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID WALLED CARBON NANOTUBES; CHEMICAL-REACTIVITY; CL+H-2 REACTION; QUANTUM STATES; S(N)2 REACTION; CONFINEMENT; ALIGNMENT; ENERGY; HYDROCARBONS; CHEMISTRY AB We use full-dimensional classical trajectories to study how reaction cross sections for the D + H-2 -> DH + H reaction are altered when the system is confined to move within various sized carbon nanotubes (CNTs). We focus on trajectories with initial conditions such that collisions with the nanotube walls are possible. Unlike our previous studies where the initial conditions minimized the potential for such collisions [Lu, T.; Goldfield, E. M. Gray, S. K. J. Phys. Chem. C 2008, 112, 15260], we find that reaction cross sections are enhanced in all the differently sized CNTs compared to cross sections in the isolated systems, although the enhancements are larger for the smaller CNTs. We interpret our results based on a simple specular reflection model for collision cross sections within a cylinder. C1 [Lu, Tun; Goldfield, Evelyn M.] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. [Gray, Stephen K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Goldfield, EM (reprint author), Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. FU U.S. Department of Energy, Basic Energy Sciences [DE-FG02-01ER15212]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX E.M.G. acknowledges support from the U.S. Department of Energy, Basic Energy Sciences, Grant No, DE-FG02-01ER15212. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 32 TC 7 Z9 7 U1 2 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 9030 EP 9040 DI 10.1021/jp101808p PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000047 ER PT J AU Jaffe, JE Kaspar, TC Droubay, TC Varga, T Bowden, ME Exarhos, GJ AF Jaffe, John E. Kaspar, Tiffany C. Droubay, Timothy C. Varga, Tamas Bowden, Mark E. Exarhos, Gregory J. TI Electronic and Defect Structures of CuSCN SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RAY PHOTOELECTRON-SPECTROSCOPY; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; COPPER(I) THIOCYANATE; SOLAR-CELLS; THIN-FILMS; METALS; HETEROJUNCTIONS; CONDUCTIVITY AB Copper thiocyanate (CuSCN) is a candidate as a transparent solid p-type conductor for optoelectronic and photovoltaic applications, such as solar cells. We calculate the band structure, bonding characteristics, and basic native defect configurations of hexagonal beta-CuSCN. beta-CuSCN is predicted to be an indirect-gap semiconductor with an unusual orbital character: although the highest valence bands have the expected character of Cu 3d levels hybridized with S 3p states, the conduction band minimum (at the K point of the hexagonal Brillouin zone) has mostly cyanide antibonding character. This quasi-molecular character results in some unusual properties, including that the electron effective masses are comparable to or even larger than the hole effective masses. Calculated results match well with the valence band spectrum of thin film CuSCN, although optical absorption measurements do not conclusively confirm the predicted indirect nature of the lowest transitions. The dominant p-type character of this material is explained in terms of copper vacancies; CN unit vacancies, which are also expected to be acceptors. are proposed as a mechanism to increase p-type conduction. C1 [Jaffe, John E.; Kaspar, Tiffany C.; Droubay, Timothy C.; Varga, Tamas; Bowden, Mark E.; Exarhos, Gregory J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jaffe, JE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM john.jaffe@pnl.gov; tiffany.kaspar@pnl.gov RI Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 FU U.S. Department of Energy's Office of Biological and Environmental Research; PNNL FX A portion of this research was performed using EMSL, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory. This research was supported by the Laboratory Directed Research and Development Program at PNNL. NR 36 TC 39 Z9 41 U1 2 U2 37 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 9111 EP 9117 DI 10.1021/jp101586q PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000057 ER PT J AU Cuk, T Weare, WW Frei, H AF Cuk, Tanja Weare, Walter W. Frei, Heinz TI Unusually Long Lifetime of Excited Charge-Transfer State of All-Inorganic Binuclear TiOMnII Unit Anchored on Silica Nanopore Surface SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID METAL-TO-METAL; ALPHA-SW THEORY; MESOPOROUS SILICA; VISIBLE-LIGHT; ELECTRON-TRANSFER; SPECTROSCOPY; MINERALS; ABSORPTION; COMPLEXES; CHEMISTRY AB The lifetime and back electron transfer kinetics of an all-inorganic, oxo-bridged heterobinuclear (TiOMnII)-O-IV group covalently anchored on a silica nanopore surface was investigated by transient optical absorption spectroscopy. Mesoporous silica particles of type SBA-15 loaded with TiOMn sites (1 wt %) were suspended in an index matching liquid for performing spectroscopy in transmission mode. Upon excitation of the (TiOMnII)-O-IV -> (TiOMnIII)-O-III metal-to-metal charge-transfer transition (MMCT) by a visible laser pulse of 8 ns duration, a transient bleach was observed whose intensity versus pump wavelength dependence agreed with the MMCT absorption profile. The decay kinetics is well described by a superposition of first-order rates with a mean time constant of 1.8 +/- 0.3 mu s (room temperature). The dispersion of gamma = 2 +/- 0.2 (Albery model) is attributed to variations in the local silica coordination environment reflecting the disordered, amorphous nature of the silica nanopore surface. The result constitutes the first observation of the electron transfer kinetics of an all-inorganic heterobinuclear group. It is proposed that the microsecond lifetime, unusually long for such as small charge transfer chromophore, originates from strong polarization of the local and remote silica environment upon light-triggered electron transfer from Mn to Ti. This results in a substantial reorganization barrier for back electron transfer. The long lifetime makes oxo-bridged heterobinuclear units anchored on silica surfaces efficient visible light photocatalysts and suitable as charge-transfer chromophores for driving multielectron catalysts in artificial photosynthetic systems. C1 [Weare, Walter W.; Frei, Heinz] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Cuk, Tanja] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. OI Weare, Walter/0000-0001-5794-9418 FU Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Miller Institute, University of California, Berkeley; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. T.C., Miller postdoctoral fellow, acknowledges support by the Miller Institute, University of California, Berkeley. The authors thank Dr. Marisa MacNaughtan for the synthesis of transparent mesoporous silica membranes and Dr. Jinghua Guo for assistance at BL 7 or the Advanced Light Source at LBNL. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 28 TC 22 Z9 22 U1 3 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 20 PY 2010 VL 114 IS 19 BP 9167 EP 9172 DI 10.1021/jp101444z PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 593YT UT WOS:000277500000064 ER PT J AU Prasittichai, C Hupp, JT AF Prasittichai, Chaiya Hupp, Joseph T. TI Surface Modification of SnO2 Photoelectrodes in Dye-Sensitized Solar Cells: Significant Improvements in Photovoltage via Al2O3 Atomic Layer Deposition SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID ELECTRON-TRANSFER MEDIATORS; PERFORMANCE ENHANCEMENT; NANOCRYSTALLINE TIO2; INSULATING OXIDE; DYNAMICS; FILMS; RECOMBINATION; SEMICONDUCTOR; COLLECTION; EFFICIENCY AB We report here the exploitation of ultrathin layers of Al2O3 deposited via atomic layer deposition (ALD) on SnO2 photoanodes used in dye-sensitized solar cells featuring the I-3(-)/I- couple as the redox electrolyte. We find that a single ALD cycle of Al2O3 increases the lifetimes of injected electrons by more than 2 orders of magnitude. The modified SnO2 photoanode yields nearly a 2-fold improvement fill factor and a greater than 2-fold increase in open circuit photo voltage, with a slight increase in short-circuit photocurrent. The overall energy conversion efficiency increases by roughly 5-fold. The effects appear to arise primarly from passivation of reactive, low-energy tin oxide surface states, with band edge shifts and tunneling based blocking behavior playing only secondary roles. C1 [Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. Northwestern Univ, ANSER Ctr, Evanston, IL 60208 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Hupp, JT (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM j-hupp@northwestern.edu RI Hupp, Joseph/K-8844-2012 OI Hupp, Joseph/0000-0003-3982-9812 FU Commission on Higher Education, Thailand; BP Solar; ANSER Center (an EFRC sponsored by the Office of Science) U.S. Dept. of Energy) FX C.P. would like to acknowledge funding from the Strategic Fellowships for Frontier Research Networks from the Commission on Higher Education, Thailand. for his graduate fellowship. J.T.H. gratefully acknowledges BP Solar and the ANSER Center (an EFRC sponsored by the Office of Science) U.S. Dept. of Energy) for financial support. NR 29 TC 146 Z9 146 U1 5 U2 101 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 MAY 20 PY 2010 VL 1 IS 10 BP 1611 EP 1615 DI 10.1021/jz100361f PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 600HP UT WOS:000277976400019 ER PT J AU Wishart, J AF Wishart, James TI Importance of Ionic Liquid Solvation Dynamics to Their Applications in Advanced Devices and Systems SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Editorial Material ID PHOTOINDUCED ELECTRON-TRANSFER; FLUORESCENCE C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Wishart, J (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RI Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 NR 16 TC 12 Z9 12 U1 1 U2 7 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 MAY 20 PY 2010 VL 1 IS 10 BP 1629 EP 1630 DI 10.1021/jz100532k PG 2 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 600HP UT WOS:000277976400022 ER PT J AU Martin, LW Chu, YH Ramesh, R AF Martin, L. W. Chu, Y-H. Ramesh, R. TI Advances in the growth and characterization of magnetic, ferroelectric, and multiferroic oxide thin films SO MATERIALS SCIENCE & ENGINEERING R-REPORTS LA English DT Review DE Thin films; Multiferroic; Magnetic; ferroelectric; Complex oxides ID PULSED-LASER DEPOSITION; MOLECULAR-BEAM EPITAXY; CHEMICAL-VAPOR-DEPOSITION; METAL-INSULATOR-TRANSITION; FERROELASTIC DOMAIN-WALLS; CHARGE-ORDERED STRIPES; TUNNEL-JUNCTIONS; EXCHANGE BIAS; ROOM-TEMPERATURE; BIFEO3 FILMS AB The growth and characterization of functional oxide thin films that are ferroelectric, magnetic, or both at the same time are reviewed. The evolution of synthesis techniques and how advances in in situ characterization have enabled significant acceleration in improvements to these materials are described. Methods for enhancing the properties of functional materials or creating entirely new functionality at interfaces are covered, including strain engineering and layering control at the atomic-layer level. Emerging applications of these functional oxides such as achieving electrical control of ferromagnetism and the future of these complex functional oxides is discussed. (C) 2010 Elsevier B.V. All rights reserved. C1 [Martin, L. W.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Martin, L. W.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Chu, Y-H.] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30100, Taiwan. [Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Ramesh, R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ramesh, R.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Martin, LW (reprint author), Univ Illinois, Dept Mat Sci & Engn, 1304 W Green St, Urbana, IL 61801 USA. EM lwmartin@illinois.edu RI Ying-Hao, Chu/A-4204-2008; Martin, Lane/H-2409-2011 OI Ying-Hao, Chu/0000-0002-3435-9084; Martin, Lane/0000-0003-1889-2513 FU Office of Basic Energy Sciences, Materials Science Division of the U.S. Department of Energy [DE-AC02-05CH11231]; ONR-MURI [E21-6RU-G4]; Intel; National Science Foundation at the University of Maryland, College Park FX The authors acknowledge the support of the Director, Office of Basic Energy Sciences, Materials Science Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and previous contracts, ONR-MURI under Grant No. E21-6RU-G4 and previous contracts, and the Western Institute of Nanoelectronics program as well as significant intellectual and financial support from scientists and engineers at Intel. Over the past 8-10 years, R.R. has also benefitted significantly through funding from the Office of Naval Research (through a MURI program from 2003-2008) as well as funding from the National Science Foundation during his tenure at the University of Maryland, College Park. NR 423 TC 260 Z9 266 U1 57 U2 496 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0927-796X EI 1879-212X J9 MAT SCI ENG R JI Mater. Sci. Eng. R-Rep. PD MAY 20 PY 2010 VL 68 IS 4-6 BP III EP 133 DI 10.1016/j.mser.2010.03.001 PG 47 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 613OI UT WOS:000278988200001 ER PT J AU Perets, HB Gal-Yam, A Mazzali, PA Arnett, D Kagan, D Filippenko, AV Li, W Arcavi, I Cenko, SB Fox, DB Leonard, DC Moon, DS Sand, DJ Soderberg, AM Anderson, JP James, PA Foley, RJ Ganeshalingam, M Ofek, EO Bildsten, L Nelemans, G Shen, KJ Weinberg, NN Metzger, BD Piro, AL Quataert, E Kiewe, M Poznanski, D AF Perets, H. B. Gal-Yam, A. Mazzali, P. A. Arnett, D. Kagan, D. Filippenko, A. V. Li, W. Arcavi, I. Cenko, S. B. Fox, D. B. Leonard, D. C. Moon, D. -S. Sand, D. J. Soderberg, A. M. Anderson, J. P. James, P. A. Foley, R. J. Ganeshalingam, M. Ofek, E. O. Bildsten, L. Nelemans, G. Shen, K. J. Weinberg, N. N. Metzger, B. D. Piro, A. L. Quataert, E. Kiewe, M. Poznanski, D. TI A faint type of supernova from a white dwarf with a helium-rich companion SO NATURE LA English DT Article ID CORE-COLLAPSE SUPERNOVAE; IA SUPERNOVA; GALAXIES; MODELS; STAR; TELESCOPE AB Supernovae are thought to arise from two different physical processes. The cores of massive, short-lived stars undergo gravitational core collapse and typically eject a few solar masses during their explosion. These are thought to appear as type Ib/c and type II supernovae, and are associated with young stellar populations. In contrast, the thermonuclear detonation of a carbon-oxygen white dwarf, whose mass approaches the Chandrasekhar limit, is thought to produce type Ia supernovae(1,2). Such supernovae are observed in both young and old stellar environments. Here we report a faint type Ib supernova, SN 2005E, in the halo of the nearby isolated galaxy, NGC 1032. The 'old' environment near the supernova location, and the very low derived ejected mass (similar to 0.3 solar masses), argue strongly against a core-collapse origin. Spectroscopic observations and analysis reveal high ejecta velocities, dominated by helium-burning products, probably excluding this as a subluminous(3,4) or a regular(1) type Ia supernova. We conclude that it arises from a low-mass, old progenitor, likely to have been a helium-accreting white dwarf in a binary. The ejecta contain more calcium than observed in other types of supernovae and probably large amounts of radioactive (44)Ti. C1 [Perets, H. B.; Gal-Yam, A.; Arcavi, I.; Kiewe, M.] Weizmann Inst Sci, Dept Particle Phys & Astrophys, Fac Phys, IL-76100 Rehovot, Israel. [Perets, H. B.; Sand, D. J.; Soderberg, A. M.; Foley, R. J.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Mazzali, P. A.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Mazzali, P. A.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Mazzali, P. A.] INAF Oss Astron Padova, I-35122 Padua, Italy. [Arnett, D.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Kagan, D.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. [Filippenko, A. V.; Li, W.; Cenko, S. B.; Ganeshalingam, M.; Weinberg, N. N.; Metzger, B. D.; Piro, A. L.; Quataert, E.; Poznanski, D.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Fox, D. B.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Leonard, D. C.] San Diego State Univ, Dept Astron, San Diego, CA 92182 USA. [Moon, D. -S.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Sand, D. J.] Las Cumbres Observ Global Telescope Network, Goleta, CA 93117 USA. [Anderson, J. P.] Univ Chile, Dept Astron, Camino El Observ, Santiago, Chile. [Anderson, J. P.; James, P. A.] Liverpool John Moores Univ, Astrophys Res Inst, Birkenhead CH41 1LD, Merseyside, England. [Ofek, E. O.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Bildsten, L.; Shen, K. J.] Univ Calif Santa Barbara, Kavli Inst Theoret Phys, Santa Barbara, CA 93106 USA. [Bildsten, L.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Nelemans, G.] Radboud Univ Nijmegen, Dept Astrophys, NL-6500 GL Nijmegen, Netherlands. [Poznanski, D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Gal-Yam, A (reprint author), Weizmann Inst Sci, Dept Particle Phys & Astrophys, Fac Phys, IL-76100 Rehovot, Israel. EM hperets@cfa.harvard.edu; avishay.gal-yam@weizmann.ac.il RI Nelemans, Gijs/D-3177-2012; Perets, Hagai/K-9605-2015; OI Nelemans, Gijs/0000-0002-0752-2974; Perets, Hagai/0000-0002-5004-199X; James, Philip/0000-0003-4131-5183 FU ISF/FIRST Fellowship; Ilan Ramon-Fulbright Fellowship; Weizmann-Minerva grant; Israeli Science Foundation; EU; Benoziyo Center for Astrophysics; Peter and Patricia Gruber Awards; US National Science Foundation; US Department of Energy; Richard and Rhoda Goldman Fund; Sylvia & Jim Katzman Foundation; TABASGO Foundation FX We thank P. Podsiadlowski, E. Nakar and D. Maoz for comments. We acknowledge observations with the Liverpool Telescope, and various telescopes at the Lick, Palomar and Keck Observatories. We are grateful to the staffs of these observatories, as well as to the institutions, agencies and companies funding these facilities. This research also made use of the NASA/IPAC Extragalactic Database (NED). H. B. P. acknowledges the ISF/FIRST and Ilan Ramon-Fulbright Fellowships, and is a Harvard-Smithsonian Center for Astrophysics Fellow. The collaborative work of A.G.-Y. and P. A. M. is supported by a Weizmann-Minerva grant. A.G.-Y. acknowledges further support by the Israeli Science Foundation, an EU Seventh Framework Programme Marie Curie IRG Fellowship, the Benoziyo Center for Astrophysics, and the Peter and Patricia Gruber Awards. A. V. F. is grateful for the support of the US National Science Foundation, the US Department of Energy, Gary and Cynthia Bengier, the Richard and Rhoda Goldman Fund, the Sylvia & Jim Katzman Foundation, and the TABASGO Foundation. R.J.F. is a Clay Fellow. NR 28 TC 125 Z9 125 U1 2 U2 10 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD MAY 20 PY 2010 VL 465 IS 7296 BP 322 EP 325 DI 10.1038/nature09056 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 598IO UT WOS:000277829200034 PM 20485429 ER PT J AU Chi, EY Frey, SL Winans, A Lam, KLH Kjaer, K Majewski, J Lee, KYC AF Chi, Eva Y. Frey, Shelli L. Winans, Amy Lam, Kin Lok H. Kjaer, Kristian Majewski, Jaroslaw Lee, Ka Yee C. TI Amyloid-beta Fibrillogenesis Seeded by Interface-Induced Peptide Misfolding and Self-Assembly SO BIOPHYSICAL JOURNAL LA English DT Article ID ALZHEIMERS-DISEASE; PHOSPHOLIPID-MEMBRANES; LIPID-MEMBRANES; SHEET FORMATION; FIBRILS; AGGREGATION; NUCLEATION; MICROSCOPY; MECHANISM; CONFORMATIONS AB The amphipathicity of the natively unstructured amyloid-beta (A beta 40) peptide may play an important role in its aggregation into beta-sheet rich fibrils, which is linked to the pathogenesis of Alzheimer's disease. Using the air/subphase interface as a model interface, we characterized A beta's surface activity and its conformation, assembly, and morphology at the interface. A beta readily adsorbed to the air/subphase interface to form a 20 A thick film and showed a critical micelle concentration of similar to 120 nM. A beta adsorbed at the air/subphase exhibited in-plane ordering that gave rise to Bragg peaks in grazing-incidence x-ray diffraction measurements. Analysis of the peaks showed that the air/subphase interface induced A beta to fold into a beta-sheet conformation and to self-assemble into similar to 100 A-sized ordered clusters. The formation of these clusters at the air/subphase interface was not affected by pH, salts, or the presence of sucrose or urea, which are known to stabilize or denature native proteins, suggesting that interface-driven A beta misfolding and assembly are strongly favored. Furthermore, A beta at the interface seeded the growth of fibrils in the bulk with a distinct morphology compared to those formed by homogeneous nucleation. Our results indicate that interface-induced A beta misfolding may serve as a heterogeneous, nucleation-controlled aggregation mechanism for A beta fibrillogenesis in vivo. C1 [Winans, Amy; Lee, Ka Yee C.] Univ Chicago, Dept Chem, Inst Biophys Dynam, Chicago, IL 60637 USA. [Winans, Amy; Lee, Ka Yee C.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. [Lam, Kin Lok H.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Chi, Eva Y.] Univ New Mexico, Ctr Biomed Engn, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Frey, Shelli L.] Gettysburg Coll, Dept Chem, Gettysburg, PA 17325 USA. [Kjaer, Kristian] Max Planck Inst Colloids & Interfaces, Am Muhlenberg, Germany. [Majewski, Jaroslaw] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Lee, KYC (reprint author), Univ Chicago, Dept Chem, Inst Biophys Dynam, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM kayeelee@uchicago.edu RI Lujan Center, LANL/G-4896-2012 FU National Science Foundation (NSF) [CHE-9816513, DMR-0820054]; Alzheimer's Association [IIRG-9901175]; American Health Assistance Foundation [A1999057]; Packard Foundation; U.S. Department of Energy [W-7405-ENG-36]; National Institutes of Health [AG025649]; Arnold and Mabel Beckman Foundation; 12CAM Junior Scientists Travel Award FX The Langmuir trough was made possible by a National Science Foundation (NSF) Chemistry Research Instrumentation and Facilities Program Junior Faculty Grant (CHE-9816513). This work was supported by the Alzheimer's Association (IIRG-9901175), the American Health Assistance Foundation (A1999057), the Packard Foundation, the U.S. Department of Energy (W-7405-ENG-36), and the NSF Materials Research and Engineering Centers Programs (DMR-0820054). E.Y.C. received a National Institutes of Health National Research Service Award Individual Fellowship (AG025649). S.L.F. received support from the NSF Graduate Fellowship Program. A.W. was a Beckman Scholar and received support from the Arnold and Mabel Beckman Foundation. Travel was supported by a 12CAM Junior Scientists Travel Award. NR 44 TC 23 Z9 24 U1 0 U2 26 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD MAY 19 PY 2010 VL 98 IS 10 BP 2299 EP 2308 DI 10.1016/j.bpj.2010.01.056 PG 10 WC Biophysics SC Biophysics GA 598SJ UT WOS:000277858400032 PM 20483339 ER PT J AU Thompson, DK Chourey, K Wickham, GS Thieman, SB VerBerkmoes, NC Zhang, B McCarthy, AT Rudisill, MA Shah, M Hettich, RL AF Thompson, Dorothea K. Chourey, Karuna Wickham, Gene S. Thieman, Stephanie B. VerBerkmoes, Nathan C. Zhang, Bing McCarthy, Andrea T. Rudisill, Matt A. Shah, Manesh Hettich, Robert L. TI Proteomics reveals a core molecular response of Pseudomonas putida F1 to acute chromate challenge SO BMC GENOMICS LA English DT Article ID MODULAR PEPTIDE SYNTHETASES; SHEWANELLA-ONEIDENSIS MR-1; ESCHERICHIA-COLI K-12; PHOSPHATE AMENDMENTS; SIGNAL-TRANSDUCTION; AERUGINOSA; CHROMIUM; RESISTANCE; EXPRESSION; REDUCTION AB Background: Pseudomonas putida is a model organism for bioremediation because of its remarkable metabolic versatility, extensive biodegradative functions, and ubiquity in contaminated soil environments. To further the understanding of molecular pathways responding to the heavy metal chromium(VI) [Cr(VI)], the proteome of aerobically grown, Cr(VI)-stressed P. putida strain F1 was characterized within the context of two disparate nutritional environments: rich (LB) media and minimal (M9L) media containing lactate as the sole carbon source. Results: Growth studies demonstrated that F1 sensitivity to Cr(VI) was impacted substantially by nutrient conditions, with a carbon-source-dependent hierarchy (lactate > glucose >> acetate) observed in minimal media. Two-dimensional HPLC-MS/MS was employed to identify differential proteome profiles generated in response to 1 mM chromate under LB and M9L growth conditions. The immediate response to Cr(VI) in LB-grown cells was up-regulation of proteins involved in inorganic ion transport, secondary metabolite biosynthesis and catabolism, and amino acid metabolism. By contrast, the chromate-responsive proteome derived under defined minimal growth conditions was characterized predominantly by up-regulated proteins related to cell envelope biogenesis, inorganic ion transport, and motility. TonB-dependent siderophore receptors involved in ferric iron acquisition and amino acid adenylation domains characterized up-regulated systems under LB-Cr(VI) conditions, while DNA repair proteins and systems scavenging sulfur from alternative sources (e. g., aliphatic sulfonates) tended to predominate the up-regulated proteome profile obtained under M9L-Cr(VI) conditions. Conclusions: Comparative analysis indicated that the core molecular response to chromate, irrespective of the nutritional conditions tested, comprised seven up-regulated proteins belonging to six different functional categories including transcription, inorganic ion transport/metabolism, and amino acid transport/ metabolism. These proteins might potentially serve as indicators of chromate stress in natural microbial communities. C1 [Thompson, Dorothea K.; Wickham, Gene S.; Thieman, Stephanie B.; McCarthy, Andrea T.; Rudisill, Matt A.] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA. [Chourey, Karuna; VerBerkmoes, Nathan C.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Zhang, Bing] Vanderbilt Univ, Dept Biomed Informat, Nashville, TN 37232 USA. [Shah, Manesh] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Thompson, DK (reprint author), Purdue Univ, Dept Biol Sci, 915 W State St, W Lafayette, IN 47907 USA. EM dthomps4@utk.edu; hettichrl@ornl.gov RI Hettich, Robert/N-1458-2016; OI Hettich, Robert/0000-0001-7708-786X; , /0000-0002-9216-3813 FU Office of Science (BER), U.S. Department of Energy [DE-FG02-07ER64391] FX This research was supported by the Office of Science (BER), U.S. Department of Energy, Environmental Remediation Sciences Program Grant No. DE-FG02-07ER64391. Oak Ridge National Laboratory is managed by University of Tennessee-Battelle LLC for the Department of Energy under contract DOE-AC05-00OR22725. NR 52 TC 26 Z9 26 U1 1 U2 20 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD MAY 19 PY 2010 VL 11 AR 311 DI 10.1186/1471-2164-11-311 PG 16 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 625AF UT WOS:000279862900001 PM 20482812 ER PT J AU Weijer, W AF Weijer, Wilbert TI An almost-free barotropic mode in the Australian-Antarctic Basin SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SEA-LEVEL VARIABILITY; SOUTHERN-OCEAN; GENERAL-CIRCULATION; TOPEX/POSEIDON DATA; WIND AB The Australian-Antarctic Basin (AAB) is known for its high levels of intraseasonal variability; sea-surface height variability exceeds background values by factors of 2 over thousands of kilometers. This paper addresses the hypothesis that this variability is caused by trapping of barotropic energy by the basin geometry. Analysis of a multi-year integration of a shallow-water model shows that the variability is dominated by a single, large-scale statistical mode that is highly coherent over the entire AAB. The flow associated with this mode is northwestward along the Southeast Indian Ridge, southward in the Kerguelen Abyssal Plain, and eastward in the southern AAB. The mode is interpreted as an almost-free topographically trapped mode, as it is confined by contours of potential vorticity that almost entirely enclose the AAB. The apex of the Wilkes Abyssal Plain represents the strongest barrier to the modal circulation: here velocities are strongest, making it a key area for dissipation of kinetic energy through bottom friction and eddy viscosity. Citation: Weijer, W. (2010), An almost-free barotropic mode in the Australian-Antarctic Basin, Geophys. Res. Lett., 37, L10602, doi: 10.1029/2010GL042657. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Weijer, W (reprint author), Los Alamos Natl Lab, CCS 2,MS B296, Los Alamos, NM 87545 USA. EM wilbert@lanl.gov RI Weijer, Wilbert/A-7909-2010 FU U.S. Department of Energy Office of Science [DE-AC52-06NA25396]; NSF-OCE [0928473] FX This research was supported by the Climate Change Prediction Program of the U.S. Department of Energy Office of Science and by NSF-OCE award 0928473. Los Alamos National Laboratory is operated by the Los Alamos National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. Wind stress curl data were provided by the Data Support Section of the Computational and Information Systems Laboratory at the National Center for Atmospheric Research. Constructive comments by Matthew Hecht and two anonymous reviewers are gratefully acknowledged. NR 13 TC 4 Z9 4 U1 0 U2 0 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD MAY 19 PY 2010 VL 37 AR L10602 DI 10.1029/2010GL042657 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 600DA UT WOS:000277963200001 ER PT J AU Russell, RL Peterson, RA AF Russell, Renee L. Peterson, Reid A. TI Boehmite Dissolution Model Based on Simulant Data SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID SODIUM ALUMINATE SOLUTIONS; PRECIPITATION; GIBBSITE; KINETICS; TEMPERATURE; RATES AB Several of the Hanford waste tanks contain significant quantities of boehmite. This boehmite will be dissolved through caustic leaching as part of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) currently under construction. Therefore, it is important to fully understand the nature of this dissolution process so that caustic leaching can be effectively deployed on the Hanford tank wastes. This research determined the impact of aluminate ion on the dissolution kinetics of boehmite. In addition, other parameters that impact boehmite dissolution, such reaction temperature, were also assessed and used to develop a semiempirical model of the boehmite dissolution process. A shrinking core model was used to fit data from a series of boehmite dissolution tests with an additional term added to account for the approach to saturation. This revised model provided an adequate fit to the experimental data; however, a superior fit to the experimental data was obtained when a term was added to represent the number of dissolution sites available at the start of the reaction. These results suggest that boehmite will dissolve significantly slower as gibbsite dissolves and adds aluminate to the solution. Practically, these results indicate that the blending of wastes with gibbsite and boehmite will ultimately result in either more caustic or more time required to achieve the same fraction of boehmite dissolution. C1 [Russell, Renee L.; Peterson, Reid A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Russell, RL (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM renee.russell@pnl.gov OI Peterson, Reid/0000-0003-3368-1896 FU U.S. Department of Energy through the Office of Environmental Management FX We would like to acknowledge Don Rinehart for all of his lab work in performing the tests and Brian Riley for his SEM work. Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle under Contract DE-ACO5-76RL01830. This work was funded by the U.S. Department of Energy through the Office of Environmental Management and under the guidance of Bechtel National, Inc. NR 10 TC 6 Z9 6 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD MAY 19 PY 2010 VL 49 IS 10 BP 4542 EP 4545 DI 10.1021/ie901841g PG 4 WC Engineering, Chemical SC Engineering GA 593HH UT WOS:000277443100005 ER PT J AU Omidi, N Russell, CT Tokar, RL Leisner, JS AF Omidi, N. Russell, C. T. Tokar, R. L. Leisner, J. S. TI Hybrid simulations of the plasma environment around Enceladus SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SATURN; MAGNETOSPHERE; ATMOSPHERE; PLUME; ION AB The plasma environment around Enceladus is governed by the interaction between the corotating plasma with the body of the moon and the neutral gas associated with Saturn's extended cloud and plumes ejected from its southern polar region. To understand the nature of this interaction, we use 3-D electromagnetic hybrid simulations that treat ions kinetically through particle-in-cell methods and treat the electrons as a charge-neutralizing fluid. In these simulations, plasma interaction with the neutrals takes place through charge exchange. The results show that plasma absorption by Enceladus forms a tail-like density cavity behind the moon and a depletion wake which is confined in the direction perpendicular to the magnetic field but extends many Enceladus radii along the magnetic field. Except in the cavity tail, the flow is not slowed by the interaction but is diverted toward the cavity in a symmetric fashion. Interaction of the corotating plasma with the extended neutrals results in the generation of ion cyclotron waves and plasma deceleration to velocities below the corotation speed. The results also show that the extent to which the presence of a plume in the southern pole affects the nature of the interaction depends on its density. For plumes with base densities of similar to 10(6)/cm(3) (6.5 x 10(29) molecules in the plume) or lower we find no significant impacts, while plumes with base densities of similar to 10(7)/cm(3) and larger are found to greatly impact the interaction region. Specifically, the interaction is no longer symmetric with a density cavity tail in the Northern Hemisphere and a density enhancement tail in the Southern Hemisphere. At base densities of similar to 10(8)/cm(3), a strong Alfven wing is also generated in the interaction. Preliminary comparisons of the simulations with the Cassini Plasma Spectrometer data during the 12 March 2008 encounter with Enceladus suggest plume base densities of similar to 5 x 10(8)/cm(3) corresponding to production of similar to 4 kg/s of new ions. C1 [Omidi, N.; Leisner, J. S.] Solana Sci Inc, Solana Beach, CA 92075 USA. [Russell, C. T.] Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90024 USA. [Tokar, R. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Omidi, N (reprint author), Solana Sci Inc, Solana Beach, CA 92075 USA. EM omidi@roadrunner.com RI Russell, Christopher/E-7745-2012 OI Russell, Christopher/0000-0003-1639-8298 FU NASA [NNX07AJ07G]; UCLA FX The authors thank the two reviewers for their very helpful comments and suggestions. Work for this project was supported by NASA grant NNX07AJ07G to Solana Scientific Inc. and UCLA. NR 28 TC 9 Z9 9 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD MAY 19 PY 2010 VL 115 AR A05212 DI 10.1029/2009JA014391 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 600EP UT WOS:000277967700001 ER PT J AU Lu, J Choi, YJ Fang, ZZ Sohn, HY Ronnebro, E AF Lu, Jun Choi, Young Joon Fang, Zhigang Zak Sohn, Hong Yong Roennebro, Ewa TI Hydrogenation of Nanocrystalline Mg at Room Temperature in the Presence of TiH2 SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ORGANIC FRAMEWORKS; STORAGE PROPERTIES; MAGNESIUM; HYDRIDES; KINETICS AB Magnesium and magnesium-based alloys are considered attractive candidates as rechargeable hydrogen storage materials because of their high hydrogen storage capacities (theoretically up to 7.6 wt %), reversibility, and low cost. In this work, the hydrogenation of nanocrystalline magnesium at room temperature in the presence of TiH2 was studied. The magnesium was derived by dehydrogenation of nanostructured MgH2-0.1TiH(2) prepared by using an ultra-high-energy and high-pressure planetary milling technique. Significant uptake of hydrogen by magnesium at room temperature was observed. The results demonstrate that the nanostructured MgH2-0.1TiH(2) system is superior to undoped nano- or micrometer-scaled MgH2 with respect to the hydrogenation properties of magnesium at room temperature. This finding is potentially useful for a range of energy applications including mobile or stationary hydrogen fuel cells, cooling medium in electricity generation, and differential pressure compressors. C1 [Lu, Jun; Choi, Young Joon; Fang, Zhigang Zak; Sohn, Hong Yong] Univ Utah, Dept Met Engn, Salt Lake City, UT 84112 USA. [Roennebro, Ewa] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fang, ZZ (reprint author), Univ Utah, Dept Met Engn, 135 South 1460 East,Room 412, Salt Lake City, UT 84112 USA. EM zak.fang@utah.edu FU U.S. Department of Energy (DOE) [DE-FC36-05GO15069] FX This research was supported by the U.S. Department of Energy (DOE) under contract no. DE-FC36-05GO15069. NR 21 TC 56 Z9 57 U1 2 U2 37 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 19 PY 2010 VL 132 IS 19 BP 6616 EP + DI 10.1021/ja910944w PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 596YJ UT WOS:000277721500002 PM 20423100 ER PT J AU Wu, NQ Wang, J Tafen, D Wang, H Zheng, JG Lewis, JP Liu, XG Leonard, SS Manivannan, A AF Wu, Nianqiang Wang, Jin Tafen, De Nyago Wang, Hong Zheng, Jian-Guo Lewis, James P. Liu, Xiaogang Leonard, Stephen S. Manivannan, Ayyakkannu TI Shape-Enhanced Photocatalytic Activity of Single-Crystalline Anatase TiO2 (101) Nanobelts SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ELECTRON-PARAMAGNETIC-RESONANCE; VISIBLE-LIGHT; SEMICONDUCTOR PHOTOCATALYSIS; NANOTUBE ARRAYS; DOPED TIO2; PARTICLES; O-2; OXIDATION; TITANIA; FACES AB Particle size is generally considered to be the primary factor in the design of nanocrystal photocatalysts, because the reduction of particle size increases the number of active sites. However, the benefit from the size reduction can be canceled by a higher electron-hole recombination rate due to the confined space in sphere-shaped nanoparticles. Here we report a mechanistic study on a novel nanobelt structure that overcomes the drawback of sphere-shaped nanoparticles. Single-crystalline anatase TiO2 nanobelts with two dominant surfaces of (101) facet exhibit enhanced photocatalytic activity over the nanosphere counterparts with an identical crystal phase and similar specific surface area. The ab initio density functional theory (DFT) calculations show that the exposed (101) facet of the nanobelts yields an enhanced reactivity with molecular O-2, facilitating the generation of superoxide radical. Moreover, the nanobelts exhibit a lower electron hole recombination rate than the nanospheres due to the following three reasons: (i) greater charge mobility in the nanobelts, which is enabled along the longitudinal dimension of the crystals; (ii) fewer localized states near the band edges and in the bandgap due to fewer unpassivated surface states in the nanobelts; and (iii) enhanced charge separation due to trapping of photogenerated electrons by chemisorbed molecular O-2 on the (101) facet. Our results suggest that the photocatalysis efficiency of nanocrystals can be significantly improved by tailoring the shape and the surface structure of nanocrystals, which provides a new concept for rational design and development of high-performance photocatalysts. C1 [Wu, Nianqiang; Wang, Jin] W Virginia Univ, Dept Mech & Aerosp Engn, WVNano Initiat, Morgantown, WV 26506 USA. [Tafen, De Nyago; Wang, Hong; Lewis, James P.] W Virginia Univ, Dept Phys, Morgantown, WV 26506 USA. [Zheng, Jian-Guo] Univ Calif Irvine, Calif Inst Telecommun & Informat Technol, LEXI, Mat Characterizat Ctr MC2, Irvine, CA 92697 USA. [Liu, Xiaogang] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore. [Leonard, Stephen S.] NIOSH, Morgantown, WV 26505 USA. [Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Wu, NQ (reprint author), W Virginia Univ, Dept Mech & Aerosp Engn, WVNano Initiat, Morgantown, WV 26506 USA. EM nick.wu@mail.wvu.edu RI Manivannan, Ayyakkannu/A-2227-2012; Wei, Zhanhua/D-7544-2013; LIU, XIAOGANG/A-8038-2011; Wu, Nianqiang/B-9798-2015; OI Manivannan, Ayyakkannu/0000-0003-0676-7918; Wei, Zhanhua/0000-0003-2687-0293; LIU, XIAOGANG/0000-0003-2517-5790; Wu, Nianqiang/0000-0002-8888-2444; Tafen, De Nyago/0000-0002-4360-9508 FU NSF [CBET-0834233, DMR-0903225, EPS 0554328]; NIH [IRC2ES018742-01]; Eberly College of Arts and Sciences at West Virginia University; West Virginia State [EPS08-01]; West Virginia University Research Corporation; West Virginia EPSCoR Office FX This work was financially supported by NSF grants (CBET-0834233 and DMR-0903225), a NIH grant (IRC2ES018742-01), an ARTS grant from Eberly College of Arts and Sciences at West Virginia University, and the Research Challenge Grant of West Virginia State (EPS08-01). The facilities and resources used in this work were partially supported by the NSF grant (EPS 0554328) with matching funds from the West Virginia University Research Corporation and the West Virginia EPSCoR Office. The TEM experiments were earned out at Materials Characterization Center, LEXI/Calit2, University of California-Irvine. We are grateful to Dr. Dale Potter for facilitating the ESR measurement NR 52 TC 390 Z9 397 U1 44 U2 466 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 19 PY 2010 VL 132 IS 19 BP 6679 EP 6685 DI 10.1021/ja909456f PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 596YJ UT WOS:000277721500025 PM 20420405 ER PT J AU Kovalenko, MV Spokoyny, B Lee, JS Scheele, M Weber, A Perera, S Landry, D Talapin, DV AF Kovalenko, Maksym V. Spokoyny, Boris Lee, Jong-Soo Scheele, Marcus Weber, Andrew Perera, Susanthri Landry, Daniel Talapin, Dmitri V. TI Semiconductor Nanocrystals Functionalized with Antimony Telluride Zintl Ions for Nanostructured Thermoelectrics SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID FIELD-EFFECT TRANSISTORS; TRANSPORT-PROPERTIES; BISMUTH TELLURIDE; THIN-FILMS; ELECTROCHEMICAL SYNTHESIS; COLLOIDAL NANOCRYSTALS; PBS NANOCRYSTALS; LEAD-TELLURIDE; QUANTUM DOTS; BULK ALLOYS AB The energy efficiency of heat engines could be improved by the partial recovery of waste heat using thermoelectric (TE) generators. We show the possibility of designing nanostructured TE materials using colloidal inorganic nanocrystals functionalized with molecular antimony telluride complexes belonging to the family of Zintl ions. The unique advantage of using Zintl ions as the nanocrystal surface ligands is the possibility to convert them into crystalline metal chalcogenides, thus linking individual nanobuilding blocks into a macroscopic assembly of electronically coupled functional modules. This approach allows preserving the benefits of nanostructuring and quantum confinement while enabling facile charge transport through the interparticle boundaries. A developed methodology was applied for solution-based fabrication of nanostructured n- and p-type Bi(2-x)Sb(x)Te(3) alloys with tunable composition and PbTe-Sb(2)Te(3) nanocomposites with controlled grain size. Characterization of the TE properties of these materials showed that their Seebeck coefficients, electrical and thermal conductivities, and ZT values compared favorably with those of previously reported solution-processed TE materials. C1 [Kovalenko, Maksym V.; Spokoyny, Boris; Lee, Jong-Soo; Weber, Andrew; Talapin, Dmitri V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Scheele, Marcus] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. [Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Perera, Susanthri; Landry, Daniel] Evident Technol Inc, Troy, NY 12180 USA. RP Kovalenko, MV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM mvkovalenko@uchicago.edu; dvtalapin@uchicago.edu RI Kovalenko, Maksym/B-6844-2008; Scheele, Marcus/F-8522-2010; Lee, Jong-Soo /F-7461-2010 OI Kovalenko, Maksym/0000-0002-6396-8938; Lee, Jong-Soo /0000-0002-3045-2206 FU Evident Technologies, Inc.; NSF [DMR-0847535]; U.S. Department of Energy [DE-AC02-06CH11357] FX We thank P. Guyot-Sionnest, E. Shevchenko, and D. Mitzi for stimulating discussions, R. Jaramillo for a help with low-temperature conductivity measurements, D. Shepard (Netzsch Instruments North America, LLC) for thermal conductivity measurements, M. Bodnarchuk for synthesis of Au NCs, S. Rupich for reading the paper, and the Analytical Chemistry Laboratory at Argonne National Laboratory (ANL) for elemental analysis. The work was supported by Evident Technologies, Inc., and NSF CAREER under Award No. DMR-0847535. The work at the Center for Nanoscale Materials (ANL) was supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. NR 84 TC 97 Z9 97 U1 11 U2 123 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 19 PY 2010 VL 132 IS 19 BP 6686 EP 6695 DI 10.1021/ja909591x PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 596YJ UT WOS:000277721500026 PM 20423085 ER PT J AU Ding, N Armatas, GS Kanatzidis, MG AF Ding, Nan Armatas, Gerasimos S. Kanatzidis, Mercouri G. TI Metal Inorganic Frameworks: Dynamic Flexible Architecture with Extended Pore Order Built from [Se-3](2-) Linkers and [Re6Se6Br8](2-) Clusters SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID COVALENT ORGANIC FRAMEWORKS; RAY-POWDER DIFFRACTION; MESOPOROUS SILICA; GERMANIUM SULFIDE; MESOSTRUCTURED SEMICONDUCTORS; SUBSTITUTION-REACTIONS; EXPLORATORY SYNTHESIS; WALL STRUCTURE; TIN SULFIDES; BASIS-SET AB A mesostructured chalcogenide built from Chevrel-type clusters [(Re6Se6Br2)Br6T](2-) linked by ditopic [Se-3](2-) anions and synthesized in the presence of a cationic surfactant template is reported. This new mesophase, h-C18PyReSeBr, exhibits remarkably well ordered hexagonal symmetry from which a reasonable structural model can be deduced on the basis of powder X-ray diffraction as well as pair distribution function (PDF) analysis. Small-angle X-ray scattering (SAXS) analysis shows that h-C18PyReSeBr possesses an enormous interfacial area of 477 m(2)/g between the inorganic framework and the guest surfactant cations, which is comparable to that of mesoporous silicas when heavy metals contained in the framework are taken into consideration. The framework of h-C18PyReSeBr exhibits great flexibility and responds dynamically to the extraframework cations via an ion-exchange process. C1 [Ding, Nan; Armatas, Gerasimos S.; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Ding, Nan] Claflin Univ, Dept Chem, Orangeburg, SC 29115 USA. [Armatas, Gerasimos S.] Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Greece. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM m-kanatzidis@northwestern.edu RI Armatas, Gerasimos/F-4753-2011 OI Armatas, Gerasimos/0000-0001-9475-1929 FU NSF FX This work was supported by the NSF. We thank P. Chupas (ANL) for help with the handling of the PDF data. NR 71 TC 5 Z9 5 U1 1 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 19 PY 2010 VL 132 IS 19 BP 6728 EP 6734 DI 10.1021/ja910506b PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 596YJ UT WOS:000277721500030 PM 20426419 ER PT J AU Huse, N Kim, TK Jamula, L McCusker, JK de Groot, FMF Schoenlein, RW AF Huse, Nils Kim, Tae Kyu Jamula, Lindsey McCusker, James K. de Groot, Frank M. F. Schoenlein, Robert W. TI Photo-Induced Spin-State Conversion in Solvated Transition Metal Complexes Probed via Time-Resolved Soft X-ray Spectroscopy SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ABSORPTION-SPECTROSCOPY; L-EDGE; MULTIPLET CALCULATIONS; CHARGE-TRANSFER; CRYSTAL-FIELD; LIQUID WATER; DYNAMICS; BAND; IRON; FE AB Solution-phase photoinduced low-spin to high-spin conversion in the Fe-II polypyridyl complex [Fe(tren(py)(3))](2+) (where tren(py)3 is tris(2-pyridylmethyliminoethyl)amine) has been studied via picosecond soft X-ray spectroscopy. Following (1)A(1) -> (MLCT)-M-1 (metal-to-ligand charge transfer) excitation at 560 nm, changes in the iron L-2- and L-3-edges were observed concomitant with formation of the transient high-spin T-5(2) state. Charge-transfer multiplet calculations coupled with data acquired on low-spin and high-spin model complexes revealed a reduction in ligand field splitting of similar to 1 eV in the high-spin state relative to the singlet ground state. A significant reduction in orbital overlap between the central Fe-3d and the ligand N-2p orbitals was directly observed, consistent with the expected ca. 0.2 angstrom increase in Fe-N bond length upon formation of the high-spin state. The overall occupancy of the Fe-3d orbitals remains constant upon spin crossover, suggesting that the reduction in a-donation is compensated by significant attenuation of pi-back-bonding in the metal ligand interactions. These results demonstrate the feasibility and unique potential of time-resolved soft X-ray absorption spectroscopy to study ultrafast reactions in the liquid phase by directly probing the valence orbitals of first-row metals as well as lighter elements during the course of photochemical transformations. C1 [Huse, Nils; Schoenlein, Robert W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. [Kim, Tae Kyu] Pusan Natl Univ, Dept Chem, Pusan 609735, South Korea. [Jamula, Lindsey; McCusker, James K.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Schoenlein, Robert W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [de Groot, Frank M. F.] Univ Utrecht, Dept Chem, NL-3584 CA Utrecht, Netherlands. RP Huse, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. EM nhuse@lbl.gov RI de Groot, Frank/A-1918-2009; Schoenlein, Robert/D-1301-2014; KIM, TAE KYU/A-8737-2016; Institute (DINS), Debye/G-7730-2014; Huse, Nils/A-5712-2017 OI Schoenlein, Robert/0000-0002-6066-7566; KIM, TAE KYU/0000-0002-9578-5722; Huse, Nils/0000-0002-3281-7600 FU Office of Science, Office of Basic Energy Sciences, the Chemical Sciences, Geosciences, and Biosciences Division under the Department of Energy [DE-AC02-05CH11231, DE-FG02-01ER15282]; Korea Science and Engineering Foundation [R-01-2008-000-20717-0]; Netherlands National Science Foundation (NWO) FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, the Chemical Sciences, Geosciences, and Biosciences Division under the Department of Energy Contract No. DE-AC02-05CH11231 (N.H. and R.W.S) and Grant No. DE-FG02-01ER15282 (J.K.M.), as well as Grant No. R-01-2008-000-20717-0 of the Basic Research Program of the Korea Science and Engineering Foundation, Republic of Korea (T.K.K.) and Grant No. 700.56.443 of the Netherlands National Science Foundation (NWO) VICI program (F.d.G.). NR 57 TC 73 Z9 73 U1 10 U2 98 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 19 PY 2010 VL 132 IS 19 BP 6809 EP 6816 DI 10.1021/ja101381a PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 596YJ UT WOS:000277721500041 PM 20426414 ER PT J AU Kamenetska, M Quek, SY Whalley, AC Steigerwald, ML Choi, HJ Louie, SG Nuckolls, C Hybertsen, MS Neaton, JB Venkataraman, L AF Kamenetska, M. Quek, Su Ying Whalley, A. C. Steigerwald, M. L. Choi, H. J. Louie, Steven G. Nuckolls, C. Hybertsen, M. S. Neaton, J. B. Venkataraman, L. TI Conductance and Geometry of Pyridine-Linked Single-Molecule Junctions SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ANCHORING GROUPS; DEPENDENCE; RESISTANCE; TRANSPORT; CIRCUITS; AU AB We have measured the conductance and characterized molecule-electrode binding geometries of four pyridine-terminated molecules by elongating and then compressing gold point contacts in a solution of molecules. We have found that all pyridine-terminated molecules exhibit bistable conductance signatures, signifying that the nature of the pyridine-gold bond allows two distinct conductance states that are accessed as the gold-molecule-gold junction is elongated. We have identified the low-conductance state as corresponding to a molecule fully stretched out between the gold electrodes, where the distance between contacts correlates with the length of the molecule; the high-conductance state is due to a molecule bound at an angle. For all molecules, we have found that the distribution of junction elongations in the low-conductance state is the same, while in the high-conductance state, the most likely elongation length increases linearly with molecule length. The results of first-principles conductance calculations for the four molecules in the low-conductance geometry agree well with the experimental results and show that the dominant conducting channel in the conjugated pyridine-linked molecules is through the pi* orbital. C1 [Quek, Su Ying; Louie, Steven G.; Neaton, J. B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. [Kamenetska, M.; Venkataraman, L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Kamenetska, M.; Steigerwald, M. L.; Nuckolls, C.; Venkataraman, L.] Columbia Univ, Ctr Electron Transport Nanostruct, New York, NY 10027 USA. [Whalley, A. C.; Steigerwald, M. L.; Nuckolls, C.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Choi, H. J.] Yonsei Univ, Dept Phys, Seoul 120749, South Korea. [Choi, H. J.] Yonsei Univ, IPAP, Seoul 120749, South Korea. [Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Hybertsen, M. S.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Neaton, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. EM jbneaton@lbl.gov; lv2117@columbia.edu RI Quek, Su Ying/I-2934-2014; Choi, Hyoung Joon/N-8933-2015; Neaton, Jeffrey/F-8578-2015; OI Choi, Hyoung Joon/0000-0001-8565-8597; Neaton, Jeffrey/0000-0001-7585-6135; Hybertsen, Mark S/0000-0003-3596-9754; Venkataraman, Latha/0000-0002-6957-6089 FU NSF [CHE-0117752, CHE-0641532]; New York State Office of Science, Technology, and Academic Research (NYSTAR); Packard Foundation; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231, DE-AC02-98CH10886]; NRF of Korea [2009-0081204] FX This work was supported in part by the Nanoscale Science and Engineering Initiative of the NSF (Awards CHE-0117752 and CHE-0641532), the New York State Office of Science, Technology, and Academic Research (NYSTAR), and the Packard Foundation (M.K. and L.V.). Portions of this work were performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, and were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-05CH11231. This work was supported in part by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract DE-AC02-98CH10886 (M.S.H.). H.J.C. acknowledges support from NRF of Korea (Grant 2009-0081204). NR 38 TC 97 Z9 102 U1 8 U2 50 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 19 PY 2010 VL 132 IS 19 BP 6817 EP 6821 DI 10.1021/ja1015348 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 596YJ UT WOS:000277721500042 PM 20423080 ER PT J AU Jung, YS Cavanagh, AS Riley, LA Kang, SH Dillon, AC Groner, MD George, SM Lee, SH AF Jung, Yoon Seok Cavanagh, Andrew S. Riley, Leah A. Kang, Sun-Ho Dillon, Anne C. Groner, Markus D. George, Steven M. Lee, Se-Hee TI Ultrathin Direct Atomic Layer Deposition on Composite Electrodes for Highly Durable and Safe Li-Ion Batteries SO ADVANCED MATERIALS LA English DT Article ID LITHIUM SECONDARY BATTERIES; NATURAL GRAPHITE ANODE; BINARY REACTION SEQUENCE; SURFACE MODIFICATION; ELECTROCHEMICAL PROPERTIES; CATHODE MATERIAL; INTERCALATION; INTERPHASE; CHEMISTRY; STABILITY AB Direct atomic layer deposition (ALD) on composite electrodes leads to ultrathin conformal protective coatings without disrupting inter-particle electronic pathways. Al(2)O(3)-coated natural graphite (NG) electrodes obtained by direct ALD on the as-formed electrode show exceptionally durable capacity retention even at an elevated temperature of 50 degrees C. In sharp contrast, ALD on powder results in poorer cycle retention than bare NC. C1 [Jung, Yoon Seok; Riley, Leah A.; Lee, Se-Hee] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [George, Steven M.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [George, Steven M.] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. [Kang, Sun-Ho] Argonne Natl Lab, Argonne, IL 60439 USA. [Cavanagh, Andrew S.] Univ Colorado, Dept Phys, 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 Lee, SH (reprint author), Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. EM sehee.lee@colorado.edu RI Kang, Sun-Ho/E-7570-2010; 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; MINT DARPA Center at the University of Colorado; Korea Research Foundation [KRF-2008-357-D00066]; U.S. Department of Energy through DOE Office of Energy Efficiency and Renewable Energy Office [DE-AC36-08G028308]; Office of FreedomCar and Vehicle Technologies of the U.S. Department of Energy FX This work was funded by a subcontract from a DOE SBIR grant to ALD Nanosolutions. A.S.C. received additional support from the MINT DARPA Center at the University of Colorado. Y.S.J. acknowledges the Korea Research Foundation Grant funded by [KRF-2008-357-D00066]. A.C.D. is grateful for support from the U.S. Department of Energy under subcontract number DE-AC36-08G028308 through: DOE Office of Energy Efficiency and Renewable Energy Office of the Vehicle Technologies Program. S.-H.K. gratefully acknowledges support from the Office of FreedomCar and Vehicle Technologies of the U.S. Department of Energy. Supporting Information is available online from Wiley InterScience or from the author. NR 32 TC 224 Z9 226 U1 33 U2 251 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD MAY 18 PY 2010 VL 22 IS 19 BP 2172 EP + DI 10.1002/adma.200903951 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 608QR UT WOS:000278601400012 PM 20376820 ER PT J AU Norris, AL Ozen, C Serpersu, EH AF Norris, Adrianne L. Ozen, Can Serpersu, Engin H. TI Thermodynamics and Kinetics of Association of Antibiotics with the Aminoglycoside Acetyltransferase (3)-IIIb, a Resistance-Causing Enzyme SO BIOCHEMISTRY LA English DT Article ID MECHANISM; PROTEIN; NMR; PHOSPHOTRANSFERASE(3')-IIIA; OVEREXPRESSION; PURIFICATION; SPECTROSCOPY; ENTEROCOCCUS; BINDING; IIIA AB The thermodynamic and kinetic properties of interactions of antibiotics with the aminoglycoside acetyltransferase (3)-IIIb (AAC) are determined with several experimental methods. These data represent the first such characterization of an enzyme that modifies the 2-deoxystreptamine ring common to all aminoglycoside antibiotics. Antibiotic substrates For AAC include kanamycin A, kanamycin B, tobramycin, sisomicin, neomycin B, paromomycin, lividomycin A, and ribostamycin. Kinetic studies show that kanamycin group aminoglycosides have higher k(cat) values than members of the neomycin group. Only small aminoglycosides without intraring constraints show substrate inhibition. Isothermal titration calorimetry (ITC) and fluorescence measurements are consistent with a molecular size-dependent stoichiometry where binding stoichiometries are 1.5-2.0 for small antibiotics and 1.0 for larger. Antibiotic-enzyme interaction occurs with a favorable enthalpy (Delta H < 0) and a compensating unfavorable entropy (T Delta S < 0). The presence of coenzyme A significantly increases the affinity of the antibiotic for AAC. However, the thermodynamic properties of its ternary complexes distinguish this enzyme from other aminoglycoside-modifying enzymes (AGMEs). Unlike other AGMEs, the enthalpy of binding becomes more favored by 1.7-10.0-fold in the presence of the cosubstrate CoASH, while the entropy becomes 2.0-22.5-fold less favored. The overall free energy change is still only 1.0-1.9 kcal/mol from binary to ternary for all antibiotics tested, which is similar to those for other aminoglycoside-modifying enzymes. A computationally derived homology model provides structural support for these conclusions and further indicates that AAC is likely a member of the GCN5-related acetyltransferase family of proteins. C1 [Norris, Adrianne L.; Serpersu, Engin H.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Ozen, Can] Middle E Tech Univ, Dept Biotechnol, TR-06531 Ankara, Turkey. [Ozen, Can] Middle E Tech Univ, Cent Lab, Mol Biol & Biotechnol R&D Ctr, TR-06531 Ankara, Turkey. [Serpersu, Engin H.] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN 37996 USA. [Serpersu, Engin H.] Oak Ridge Natl Lab, Knoxville, TN 37996 USA. [Serpersu, Engin H.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Serpersu, EH (reprint author), Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Walters Life Sci Bldg M407, Knoxville, TN 37996 USA. EM serpersu@utk.edu FU National Science Foundation [MCB-0842743]; Department of Biochemistry and Cellular and Molecular Biology at The University of Tennessee; Department of Energy [DE-FG02-08ER46528] FX This work is supported by a grant from the National Science Foundation (MCB-0842743 to F.H.S.) and by the Hunsicker Award (to E.H.S.) through the Department of Biochemistry and Cellular and Molecular Biology at The University of Tennessee. A.L.N. is partly supported by the Department of Energy EPSCoR Implementation Award (DE-FG02-08ER46528). NR 39 TC 12 Z9 13 U1 1 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD MAY 18 PY 2010 VL 49 IS 19 BP 4027 EP 4035 DI 10.1021/bi100155j PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 592RU UT WOS:000277398100004 PM 20387903 ER PT J AU Norris, AL Serpersu, EH AF Norris, Adrianne L. Serpersu, Engin H. TI Interactions of Coenzyme A with the Aminoglycoside Acetyltransferase (3)-IIIb and Thermodynamics of a Ternary System SO BIOCHEMISTRY LA English DT Article ID GCN5-RELATED N-ACETYLTRANSFERASE; ANTIBIOTIC-RESISTANCE ENZYME; CRYSTAL-STRUCTURE; STAPHYLOCOCCAL NUCLEASE; MAGNETIC-RESONANCE; BINDING; NMR; SUBSTRATE; NUCLEOTIDYLTRANSFERASE(2'')-IA; PHOSPHOTRANSFERASE(3')-IIIA AB in this work, the binding of coenzyme A (CoASH) to the aminoglycoside acetyltransferase (3)-IIIb (AAC) is studied by several experimental techniques. These data represent the first thermodynamic and kinetic characterization of interaction of a cofactor with an enzyme that modifies the 2-deoxystreptamine ring (2-DOS) common to all aminoglycoside antibiotics. Acetyl coenzyme A (AcCoA) was the preferred substrate, but propionyl and malonyl CoA were also substrates. CoASH associates with two different sites on AAC as confirmed by ITC, NMR, and fluorescence experiments: one with a high-affinity, catalytic site and a secondary, low-affinity site that overlaps with the antibiotic binding pocket. The binding of CoASH to the high-affinity site occurs with a small, unfavorable enthalpy and a favorable entropy. Binding to the second site is highly exothermic and is accompanied by an unfavorable entropic contribution. The presence of an aminoglycoside alters the binding of CoASH to AAC dramatically such that the binding occurs with a favorable enthalpy (Delta H < 0) and an unfavorable entropy (T Delta S < 0). This is irrespective of which aminoglycoside is the cosubstrate and occurs without a significant change in the affinity of CoASH for AAC. Also, antibiotics eliminate binding of CoASH to the second site. These data allowed the enthalpies of all six equilibria present in a ternary system (AAC antibiotic coenzyme) to be determined for the first time for an aminodycoside-modifying enzyme. NMR experiments also shed light on the dynamic nature of AAC as fast, slow, and intermediary exchanges between apoenzyme- and coenzyme-bound forms were observed. C1 [Norris, Adrianne L.; Serpersu, Engin H.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Serpersu, Engin H.] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN 37996 USA. [Serpersu, Engin H.] Oak Ridge Natl Lab, Knoxville, TN 37996 USA. [Serpersu, Engin H.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Serpersu, EH (reprint author), Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Walters Life Sci Bldg M407, Knoxville, TN 37996 USA. EM serpersu@utk.edu RI liu, ze/A-2322-2010 FU National Science Foundation [MCB-0842743]; Department of Biochemistry Cellular and Molecular Biology at The University of Tennessee; Department of Energy [DE-FG02-08ER46528] FX This work is supported by a grant from the National Science Foundation (MCB-0842743 to E.H.S.) and by the Hunsicker Award (to E.H.S.) through the Department of Biochemistry Cellular and Molecular Biology at The University of Tennessee. A.L.N. is partly supported by the Department of Energy EPSCoR Implementation award (DE-FG02-08ER46528). NR 26 TC 11 Z9 12 U1 2 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD MAY 18 PY 2010 VL 49 IS 19 BP 4036 EP 4042 DI 10.1021/bi1001568 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 592RU UT WOS:000277398100005 PM 20387904 ER PT J AU Daub, EG Manning, ML Carlson, JM AF Daub, Eric G. Manning, M. Lisa Carlson, Jean M. TI Pulse-like, crack-like, and supershear earthquake ruptures with shear strain localization SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID RATE-DEPENDENT FRICTION; SAN-ANDREAS SYSTEM; INTERNAL STRUCTURE; PUNCHBOWL FAULT; SURFACE-ENERGY; SLIP; DEFORMATION; VELOCITY; FRACTURE; SIMULATIONS AB We incorporate shear strain localization into spontaneous elastodynamic rupture simulations using a shear transformation zone (STZ) friction law. In the STZ model, plastic strain in the granular fault gouge occurs in local regions called STZs. The number density of STZs is governed by an effective disorder temperature, and regions with elevated effective temperature have an increased strain rate. STZ theory resolves the dynamic evolution of the effective temperature across the width of the fault zone. Shear bands spontaneously form in the model due to feedbacks amplifying heterogeneities in the initial effective temperature. In dynamic earthquake simulations, strain localization is a mechanism for dynamic fault weakening. A shear band dynamically forms, reduces the sliding stress, and decreases the frictional energy dissipation on the fault. We investigate the effect of the dynamic weakening due to localization in generating pulse-like, crack-like, and supershear rupture. Our results illustrate that the additional weakening and reduction of on-fault energy dissipation due to localization have a significant impact on the initial shear stress required for supershear or pulse-like rupture to propagate on a fault. C1 [Daub, Eric G.; Carlson, Jean M.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Daub, Eric G.] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM 87545 USA. [Daub, Eric G.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Manning, M. Lisa] Princeton Univ, Princeton Ctr Theoret Sci, Princeton, NJ 08544 USA. RP Daub, EG (reprint author), Univ Calif Santa Barbara, Dept Phys, Broida Hall, Santa Barbara, CA 93106 USA. EM edaub@lanl.gov RI Manning, Mary/B-1746-2012 OI Manning, Mary/0000-0001-7682-2324 FU David and Lucile Packard Foundation; NSF [DMR-0606092, EAR-0106924]; NSF/USGS Southern California Earthquake Center; USGS [02HQAG0008] FX The authors thank Eric Dunham for providing the dynamic rupture code used in this study. This work was supported by the David and Lucile Packard Foundation, NSF grant DMR-0606092, and the NSF/USGS Southern California Earthquake Center, funded by NSF Cooperative Agreement EAR-0106924 and USGS Cooperative Agreement 02HQAG0008. The SCEC contribution number for this paper is 1303. NR 64 TC 6 Z9 6 U1 0 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD MAY 18 PY 2010 VL 115 AR B05311 DI 10.1029/2009JB006388 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 600FB UT WOS:000277968900001 ER PT J AU Jacobson, AR Shao, XM Holzworth, R AF Jacobson, Abram R. Shao, Xuan-Min Holzworth, Robert TI Full-wave reflection of lightning long-wave radio pulses from the ionospheric D region: Comparison with midday observations of broadband lightning signals SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID FIELDS REFLEXION COEFFICIENTS; ALAMOS SFERIC ARRAY; NUMERICAL-CALCULATION; LOCATION NETWORK; EMISSIONS; POLARIZATIONS; PARAMETERS; DISCHARGES; AMPLITUDE AB We are developing and testing a steep-incidence D region sounding method for inferring profile information, principally regarding electron density. The method uses lightning emissions (in the band 5-500 kHz) as the probe signal. The data are interpreted by comparison against a newly developed single-reflection model of the radio wave's encounter with the lower ionosphere. The ultimate application of the method will be to study transient, localized disturbances of the nocturnal D region, including those instigated by lightning itself. Prior to applying the method to study lightning-induced perturbations of the nighttime D region, we have performed a validation test against more stable and predictable daytime observations, where the profile of electron density is largely determined by direct solar X-ray illumination. This article reports on the validation test. Predictions from our recently developed full-wave ionospheric-reflection model are compared to statistical summaries of daytime lightning radiated waveforms, recorded by the Los Alamos Sferic Array. The comparison is used to retrieve best fit parameters for an exponential profile of electron density in the ionospheric D region. The optimum parameter values are compared to those found elsewhere using a narrowband beacon technique, which used totally different measurements, ranges, and modeling approaches from those of the work reported here. C1 [Jacobson, Abram R.; Holzworth, Robert] Univ Washington, Seattle, WA 98195 USA. [Shao, Xuan-Min] Los Alamos Natl Lab, ISR Div, Los Alamos, NM 87545 USA. RP Jacobson, AR (reprint author), Univ Washington, Seattle, WA 98195 USA. EM abramj@u.washington.edu FU U.S. National Science Foundation [ATM 0809988] FX Two authors (A.J. and R.H.) were supported by U.S. National Science Foundation proposal ATM 0809988 Using Powerful, Low-Frequency Radio Waves From Lightning to Diagnose the D region Ionosphere). The work of the other author (X.-M. S.) was performed under the auspices of the United States Department of Energy. NR 32 TC 6 Z9 7 U1 0 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD MAY 18 PY 2010 VL 115 AR A00E27 DI 10.1029/2009JA014540 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 600EO UT WOS:000277967600001 ER PT J AU Sabio, EM Chi, MF Browning, ND Osterloh, FE AF Sabio, Erwin M. Chi, Miaofang Browning, Nigel D. Osterloh, Frank E. TI Charge Separation in a Niobate Nanosheet Photocatalyst Studied with Photochemical Labeling SO LANGMUIR LA English DT Article ID SOLAR-ENERGY CONVERSION; CALCIUM NIOBATE; PEROVSKITE NANOSHEETS; HYDROGEN EVOLUTION; HIGHLY EFFICIENT; METAL-OXIDE; WATER; CATALYSTS; FILMS; NANOSTRUCTURE AB Photolabeling was employed to probe charge separation and the distribution of redox-active sites on the surface of nanosheets derived from the layered photocatalysts KCa(2)Nb(3)O(10). Electron microscopy reveals 1-50 nm particles of silver, gold, iridium oxide, and manganese dioxide particles and small atomically sized clusters of platinum and IrO(x) on the nanosheet surfaces and along the edges. The sizes, shapes, and particle densities vary with the deposition conditions, i.e., the precursor concentration and the presence of sacrificial agents. Overall, the study shows that photogenerated electrons and holes are accessible throughout the nanosheets, without evidence for spatial charge separation across the sheet. C1 [Sabio, Erwin M.; Osterloh, Frank E.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Browning, Nigel D.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, Nigel D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Osterloh, FE (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA. EM fosterloh@ucdavis.edu RI Chi, Miaofang/Q-2489-2015; OI Chi, Miaofang/0000-0003-0764-1567; Browning, Nigel/0000-0003-0491-251X; Osterloh, Frank /0000-0002-9288-3407 FU National Science Foundation [CBET 0829142]; Department of Energy [FG02-03ER46057]; SHaRE User Facility at the Oak Ridge National Laboratory FX This work was supported by the National Science Foundation in the form of an "Energy for Sustainability" grant (CBET 0829142) and by the Department of Energy with Grant FG02-03ER46057. We also acknowledge support by the SHaRE User Facility at the Oak Ridge National Laboratory. NR 36 TC 21 Z9 21 U1 4 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAY 18 PY 2010 VL 26 IS 10 BP 7254 EP 7261 DI 10.1021/la904377f PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 592RY UT WOS:000277398600054 PM 20047327 ER PT J AU Manocchi, AK Seifert, S Lee, B Yi, HM AF Manocchi, Amy K. Seifert, Soenke Lee, Byeongdu Yi, Hyunmin TI On the Thermal Stability of Surface-Assembled Viral-Metal Nanoparticle Complexes SO LANGMUIR LA English DT Article ID TOBACCO-MOSAIC-VIRUS; X-RAY-SCATTERING; IN-SITU GISAXS; GENETICALLY-ENGINEERED VIRUSES; ELECTRON-MICROSCOPY; GOLD NANOPARTICLES; BATTERY ELECTRODES; PLATINUM CLUSTERS; NANOWIRES; GROWTH AB Biological supramolecules offer attractive templates for nanoparticle synthesis and nanodevice fabrication because of their precise size and shape. Viruses in particular have gained significant attention in nanodevice fabrication for applications such as nanoelectronics, batteries, catalysis, and sensing. However, the performance range of these viral nanoparticle-complexes is not well known because of the lack of fundamental studies on their properties. In this work, we employ in situ grazing incidence small-angle X-ray scattering (GISAXS) to examine the thermal stability of viral-nanoparticle complexes composed of tobacco mosaic virus (TMV) and palladium nanoparticles. Specifically, we show that the stability of the Pd nanoparticles on TMV is significantly enhanced as compared to that of particles on the solid substrate surface. Furthermore, we show that the agglomeration of Pd nanoparticles and the degradation of the TMV templates are coupled and occur simultaneously. These results demonstrate a potent methodology toward the in situ analysis of subtle changes in viral-nanoparticle complexes in dynamic environments. We envision that the results and methodology demonstrated in this study could be applied to better understand the properties and dynamic behaviors of organic-inorganic hybrid materials and nanodevices in various applications. C1 [Seifert, Soenke; Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Manocchi, Amy K.; Yi, Hyunmin] Tufts Univ, Dept Chem & Biol Engn, Medford, MA 02155 USA. RP Lee, B (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM blee@anl.gov; hyunmin.yi@tufts.edu RI Yi, Hyunmin/B-9852-2008; OI Lee, Byeongdu/0000-0003-2514-8805 FU U.S. Department of Energy, BES-Chemical Sciences and BES-Scientific User Facilities [DE-AC-02-06CH11357]; U Chicago Argonne, LLC; Wittich Family Fund for Energy Sustainability FX We gratefully acknowledge Dr. James N. Culver at the University of Maryland Biotechnology Institute, Center for Biosystems Research for his generous gift of TMV1cys. The in situ GISAXS work conducted at Argonne National Laboratory was supported by the U.S. Department of Energy, BES-Chemical Sciences and BES-Scientific User Facilities under contract DE-AC-02-06CH11357 with U Chicago Argonne, LLC, operator of Argonne National Laboratory. Partial funding for this work was provided by the Wittich Family Fund for Energy Sustainability. NR 58 TC 15 Z9 15 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAY 18 PY 2010 VL 26 IS 10 BP 7516 EP 7522 DI 10.1021/la904324h PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 645HX UT WOS:000281444400015 PM 20155984 ER PT J AU Bergmann, U Morton, RW Manning, PL Sellers, WI Farrar, S Huntley, KG Wogelius, RA Larson, P AF Bergmann, U. Morton, R. W. Manning, P. L. Sellers, W. I. Farrar, S. Huntley, K. G. Wogelius, R. A. Larson, P. TI Archaeopteryx feathers and bone chemistry fully revealed via synchrotron imaging SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE trace elements; X-ray absorption spectroscopy ID X-RAY-FLUORESCENCE; TRACE-ELEMENT; RADIATION; SPECIMEN; ZONATION; FOSSILS; ISLAND; SOILS AB Evolution of flight in maniraptoran dinosaurs is marked by the acquisition of distinct avian characters, such as feathers, as seen in Archaeopteryx from the Solnhofen limestone. These rare fossils were pivotal in confirming the dinosauria-avian lineage. One of the key derived avian characters is the possession of feathers, details of which were remarkably preserved in the Lagerstatte environment. These structures were previously simply assumed to be impressions; however, a detailed chemical analysis has, until now, never been completed on any Archaeopteryx specimen. Here we present chemical imaging via synchrotron rapid scanning X-ray fluorescence (SRS-XRF) of the Thermopolis Archaeopteryx, which shows that portions of the feathers are not impressions but are in fact remnant body fossil structures, maintaining elemental compositions that are completely different from the embedding geological matrix. Our results indicate phosphorous and sulfur retention in soft tissue as well as trace metal (Zn and Cu) retention in bone. Other previously unknown chemical details of Archaeopteryx are also revealed in this study including: bone chemistry, taphonomy (fossilization process), and curation artifacts. SRS-XRF represents a major advancement in the study of the life chemistry and fossilization processes of Archaeopteryx and other extinct organisms because it is now practical to image the chemistry of large specimens rapidly at concentration levels of parts per million. This technique has wider application to the archaeological, forensic, and biological sciences, enabling the mapping of "unseen" compounds critical to understanding biological structures, modes of preservation, and environmental context. C1 [Manning, P. L.; Wogelius, R. A.; Larson, P.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. [Bergmann, U.] Stanford Synchrotron Radiat Lightsource, Stanford Linear Accelerator Ctr, Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Morton, R. W.; Huntley, K. G.] Children Middle Waters Inst, Bartlesville, OK 74003 USA. [Manning, P. L.] Univ Penn, Dept Earth & Environm Sci, Philadelphia, PA 19104 USA. [Sellers, W. I.] Univ Manchester, Fac Life Sci, Manchester M13 9PT, Lancs, England. [Farrar, S.; Larson, P.] Geol Res Inc, Black Hills Inst, Hill City, SD 57745 USA. [Wogelius, R. A.] Univ Manchester, Williamson Res Ctr Mol Environm Sci, Manchester M13 9PL, Lancs, England. RP Wogelius, RA (reprint author), Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. EM Roy.wogelius@manchester.ac.uk RI Wogelius, Roy/C-4917-2008; OI Wogelius, Roy/0000-0002-5781-2152 FU U.S. Department of Energy, Office of Basic Energy Sciences [3175] FX We are very grateful to the staff at the Stanford Synchrotron Radiation Lightsource, especially Martin George and Alex Garachtchenko. Scott Hartman and Burkhard Pohl of the Wyoming Dinosaur Center granted access to specimen WDC-CSG-100. Paul Lythgoe is thanked for ICP analyses. We also acknowledge useful comments from two anonymous reviewers. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences under SSRL Grant 3175. R. A. W. acknowledges a Blaustein Visiting Professorship from Stanford University. NR 35 TC 29 Z9 29 U1 5 U2 31 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 18 PY 2010 VL 107 IS 20 BP 9060 EP 9065 DI 10.1073/pnas.1001569107 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 598GH UT WOS:000277822600010 PM 20457935 ER PT J AU Biswas, K Lany, S Zunger, A AF Biswas, Koushik Lany, Stephan Zunger, Alex TI The electronic consequences of multivalent elements in inorganic solar absorbers: Multivalency of Sn in Cu2ZnSnS4 SO APPLIED PHYSICS LETTERS LA English DT Article ID EFFECTIVE IONIC-RADII; TRANSITION-METALS; INSULATORS; CHEMISTRY AB Multivalent transition metal impurities in semiconductors are known to create deep levels inside the band gap that are associated with changes in the oxidation state. Some emerging functional semiconductor materials now contain multivalent elements not just as impurities, but as part of their structural skeleton ("multivalent semiconductors"). This raises the possibility that the performance of such materials may be affected by those skeleton elements transitioning from one oxidation state to another, in response to charge-altering perturbations such as illumination or doping. Here we address the correlation between multivalency and the electronic properties of these new semiconductor materials. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3427433] C1 [Biswas, Koushik; Lany, Stephan; Zunger, Alex] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Biswas, K (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM alex.zunger@nrel.gov RI li, linghua/D-9488-2012; Zunger, Alex/A-6733-2013 FU U.S. Department of Energy, Office of Energy Efficiency, and Renewable Energy [DE-AC36-08GO28308] FX This work was funded by the U.S. Department of Energy, Office of Energy Efficiency, and Renewable Energy, under Contract No. DE-AC36-08GO28308 to NREL. The use of facilities at the National Energy Research Scientific Computing Center is gratefully acknowledged. NR 32 TC 54 Z9 55 U1 1 U2 33 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 17 PY 2010 VL 96 IS 20 AR 201902 DI 10.1063/1.3427433 PG 3 WC Physics, Applied SC Physics GA 600FJ UT WOS:000277969700014 ER PT J AU Sounart, TL Panchawagh, HV Mahajan, RL AF Sounart, T. L. Panchawagh, H. V. Mahajan, R. L. TI Frequency-dependent stability of parallel-plate electrostatic actuators in conductive fluids SO APPLIED PHYSICS LETTERS LA English DT Article DE dielectric materials; electrostatic actuators; mechanical stability; microfluidics ID MEMS; DESIGN AB We present an electromechanical stability analysis of passivated parallel-plate electrostatic actuators in conductive dielectric media and show that the pull-in instability can be eliminated by tuning the applied frequency below a design-dependent stability limit. A partial instability region is also obtained, where the actuator jumps from the pull-in displacement to another stable position within the gap. The results predict that the stability limit is always greater than the critical actuation frequency, and therefore any device that is feasible to actuate in a conductive fluid can be operated with stability over the full range of motion. (C) 2010 American Institute of Physics. [doi:10.1063/1.3389491] C1 [Sounart, T. L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Panchawagh, H. V.] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Mahajan, R. L.] Virginia Tech, Inst Crit Technol & Appl Sci, Dept Engn Sci & Mech, Dept Mech Engn, Blacksburg, VA 24060 USA. RP Sounart, TL (reprint author), Intel Corp, 4500 Dobson Rd,MS OC2-210, Chandler, AZ 85248 USA. EM thomas.l.sounart@intel.com FU Department of Energy [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi program laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the Department of Energy under Contract No. DE-AC04-94AL85000. NR 12 TC 10 Z9 10 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 17 PY 2010 VL 96 IS 20 AR 203505 DI 10.1063/1.3389491 PG 3 WC Physics, Applied SC Physics GA 600FJ UT WOS:000277969700071 ER PT J AU Teague, LC Jurchescu, OD Richter, CA Subramanian, S Anthony, JE Jackson, TN Gundlach, DJ Kushmerick, JG AF Teague, Lucile C. Jurchescu, Oana D. Richter, Curt A. Subramanian, Sankar Anthony, John E. Jackson, Thomas N. Gundlach, David J. Kushmerick, James G. TI Probing stress effects in single crystal organic transistors by scanning Kelvin probe microscopy SO APPLIED PHYSICS LETTERS LA English DT Article DE organic compounds; scanning probe microscopy; thin film transistors ID FIELD-EFFECT TRANSISTORS; THIN-FILM TRANSISTORS; SOLUBLE ANTHRADITHIOPHENE; INTERFACE AB We report scanning Kelvin probe microscopy (SKPM) of single crystal difluoro bis(triethylsilylethynyl) anthradithiophene (diF-TESADT) organic transistors. SKPM provides a direct measurement of the intrinsic charge transport in the crystals independent of contact effects and reveals that degradation of device performance occurs over a time period of minutes as the diF-TESADT crystal becomes charged. (C) 2010 American Institute of Physics. [doi:10.1063/1.3389493] C1 [Teague, Lucile C.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Jurchescu, Oana D.; Richter, Curt A.; Gundlach, David J.; Kushmerick, James G.] NIST, Gaithersburg, MD 20899 USA. [Jurchescu, Oana D.; Jackson, Thomas N.] Penn State Univ, State Coll, PA 16802 USA. [Subramanian, Sankar; Anthony, John E.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA. RP Teague, LC (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM lucile.teague@srnl.doe.gov RI Jackson, Thomas/A-4224-2012; OI Anthony, John/0000-0002-8972-1888 FU SRNL LDRD; U.S. Department of Energy [DE-AC09-08SR22470]; U.S. Government FX T. gratefully acknowledges financial support under the SRNL LDRD program. This document was prepared in conjunction with work accomplished under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy.; This work was prepared under an agreement with and funded by the U.S. Government. Neither the U.S. Government or its employees, nor any of its contractors, subcontractors or their employees, makes any express or implied: 1. warranty or assumes any legal liability for the accuracy, completeness, or for the use or results of such use of any information, product, or process disclosed; or 2. representation that such use or results of such use would not infringe privately owned rights; or 3. endorsement or recommendation of any specifically identified commercial product, process, or service. Any views and opinions of authors expressed in this work do not necessarily state or reflect those of the United States Government, or its contractors, or subcontractors. The United States Government retains, and by accepting the article for publication, the publisher acknowledges that 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 13 TC 7 Z9 7 U1 2 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 17 PY 2010 VL 96 IS 20 AR 203305 DI 10.1063/1.3389493 PG 3 WC Physics, Applied SC Physics GA 600FJ UT WOS:000277969700065 ER PT J AU Teplin, CW Alberi, K Shub, M Beall, C Martin, IT Romero, MJ Young, DL Reedy, RC Stradins, P Branz, HM AF Teplin, Charles W. Alberi, Kirstin Shub, Maxim Beall, Carolyn Martin, Ina T. Romero, Manuel J. Young, David L. Reedy, Robert C. Stradins, Paul Branz, Howard M. TI Mechanisms controlling the phase and dislocation density in epitaxial silicon films grown from silane below 800 degrees C SO APPLIED PHYSICS LETTERS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; ION-ASSISTED DEPOSITION; LOW-TEMPERATURES; CRYSTALLINE SILICON; QUALITY; LAYERS; HYDROGEN; SINGLE; GLASS AB We construct a phase diagram for silicon layer growth on (001) Si by hot-wire chemical vapor deposition (HWCVD), for rates from 10 to 150 nm/min and for substrate temperatures from 500 to 800 degrees C. Our results show that a mixed mono and dihydride surface termination during growth causes polycrystalline growth; some H-free sites are needed for epitaxy. For epitaxial films (T>620 degrees C), the dislocation density decreases with increasing growth temperature because of reduced O contamination of the surface. The best HWCVD epitaxial layers have dislocation densities of 10(5) cm(-2). (C) 2010 American Institute of Physics. [doi: 10.1063/1.3422474] C1 [Teplin, Charles W.; Alberi, Kirstin; Shub, Maxim; Beall, Carolyn; Martin, Ina T.; Romero, Manuel J.; Young, David L.; Reedy, Robert C.; Stradins, Paul; Branz, Howard M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Teplin, CW (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM charles.teplin@nrel.gov RI Martin, Ina/J-9484-2012 NR 29 TC 15 Z9 15 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 17 PY 2010 VL 96 IS 20 AR 201901 DI 10.1063/1.3422474 PG 3 WC Physics, Applied SC Physics GA 600FJ UT WOS:000277969700013 ER PT J AU Vlasko-Vlasov, V Joshi-Imre, A Bahns, JT Chen, L Ocola, L Welp, U AF Vlasko-Vlasov, V. Joshi-Imre, A. Bahns, J. T. Chen, L. Ocola, L. Welp, U. TI Liquid cell with plasmon lenses for surface enhanced Raman spectroscopy SO APPLIED PHYSICS LETTERS LA English DT Article DE lenses; liquids; plasmonics; surface enhanced Raman scattering; surface plasmons ID SCATTERING; SILVER; 2-MERCAPTOPYRIMIDINE; GENERATION AB High-fidelity surface enhanced Raman spectra (SERS) of Rhodamine 6G and 2-mercaptopyrimidine liquid solutions are measured using a microfluidic delivery system constructed on a flat silver substrate. Microscopic plasmon lenses patterned in the silver film focus surface plasmons into a subwavelength spot which yields the light amplification required for SERS. The system provides an efficiency similar to traditional colloidal substrates, and allows multiple sample loading. We find that the main contribution to the spectra comes from the molecules directly attached to the silver surface, which gives strong evidence for the chemical enhancement of SERS. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3429605] C1 [Vlasko-Vlasov, V.; Welp, U.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Joshi-Imre, A.; Ocola, L.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Bahns, J. T.; Chen, L.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Vlasko-Vlasov, V (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM vlasko-vlasov@anl.gov RI Joshi-Imre, Alexandra/A-2912-2010 OI Joshi-Imre, Alexandra/0000-0002-4271-1623 FU UChicago; Argonne; LLC; Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the UChicago, Argonne, LLC and the Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 17 TC 8 Z9 8 U1 1 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 17 PY 2010 VL 96 IS 20 AR 203103 DI 10.1063/1.3429605 PG 3 WC Physics, Applied SC Physics GA 600FJ UT WOS:000277969700050 ER PT J AU Malen, JA Yee, SK Majumdar, A Segalman, RA AF Malen, Jonathan A. Yee, Shannon K. Majumdar, Arun Segalman, Rachel A. TI Fundamentals of energy transport, energy conversion, and thermal properties in organic-inorganic heterojunctions SO CHEMICAL PHYSICS LETTERS LA English DT Article ID SINGLE-MOLECULE CONDUCTANCE; FRACTIONAL EXCLUSION STATISTICS; SELF-ASSEMBLED MONOLAYERS; ATOMIC-FORCE MICROSCOPY; METAL WORK FUNCTION; ELECTRON-TRANSPORT; JUNCTION CONDUCTANCE; THERMOELECTRIC-MATERIALS; TUNNELING SPECTROSCOPY; CONTACT RESISTANCE AB Hybrid devices built from organic and inorganic moieties are being actively researched as replacements for inorganic electronics, thermoelectrics, and photovoltaics. However, energy transport and conversion, at the organic-inorganic interface is not well understood. One approach to study this interface is to look at the smallest hybrid building block - the heterojunction of a single organic molecule with inorganic contacts. We present a review of this work, focused on fundamental transport properties of metal-molecule-metal junctions that are related to thermoelectric energy conversion, i.e., electronic conductance, thermopower, and thermal conductance. We describe the motives, strategies, and future directions for considering heterojunctions as building blocks for thermoelectric materials. (C) 2010 Elsevier B.V. All rights reserved. C1 [Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Malen, Jonathan A.; Yee, Shannon K.; Majumdar, Arun] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Majumdar, Arun; Segalman, Rachel A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Segalman, RA (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM segalman@berkeley.edu RI Malen, Jonathan/D-5954-2013; OI Malen, Jonathan/0000-0003-4560-4476; Segalman, Rachel/0000-0002-4292-5103 FU DOE-BES; John and Fannie Hertz Foundation; National Defense Science and Engineering FX This work was supported by the DOE-BES Thermoelectrics program at Lawrence Berkeley National Laboratories. SKY would also like to gratefully acknowledge a fellowship from the John and Fannie Hertz Foundation and J.A.M. would like to acknowledge the National Defense Science and Engineering Graduate Fellowship. We would also like to thank Dr. Jeffrey Neaton, Peter Doak, and Professor Pramod Sangi Reddy for the many thought inspiring conversations about this field. NR 102 TC 99 Z9 100 U1 6 U2 95 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD MAY 17 PY 2010 VL 491 IS 4-6 BP 109 EP 122 DI 10.1016/j.cplett.2010.03.028 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 590YN UT WOS:000277264500001 ER PT J AU Zhou, YG Jiang, XD Duan, G Gao, F Zu, XT AF Zhou, Y. G. Jiang, X. D. Duan, G. Gao, F. Zu, X. T. TI Spin and band-gap engineering in copper-doped BN sheet SO CHEMICAL PHYSICS LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET AB We perform first-principles calculations on single- or dimer-Cu-absorbed-BN sheet. It was found that the band gap of BN sheet was reduced due to the emergence of certain impurity states arisen from Cu atom. The value of band gap depends on the adsorption configuration. Unpaired electron in absorbed single- Cu atom is polarized causing a magnetic moment of 1.0 mu(B), while no magnetic moment has been detected after dimer-Cu adsorption. Comparing the analogous carbon nanostructures, Cu-absorbed BN sheet is more resistant to oxidation and thereby is more experimentally accessible. (C) 2010 Elsevier B. V. All rights reserved. C1 [Zhou, Y. G.; Jiang, X. D.; Duan, G.; Zu, X. T.] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. [Zhou, Y. G.; Zu, X. T.] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China. [Jiang, X. D.; Gao, F.] China Acad Engn Phys, Res Ctr Laser Fus, Mianyang 621900, Peoples R China. [Gao, F.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zu, XT (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM jiangxdong@163.com; xiaotaozu@yahoo.com RI Gao, Fei/H-3045-2012; ye, xin/K-2615-2014 FU NSAF Joint Foundation of China [10376006]; Sichuan Young Scientists Foundation [03ZQ026-059]; SRF; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy [DE-AC05-76RL01830] FX This study was supported financially by the NSAF Joint Foundation of China (10376006) and by the Sichuan Young Scientists Foundation (03ZQ026-059) and by the Project-sponsored by SRF for ROCS, SEM. F. Gao was supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy under Contract DE-AC05-76RL01830. NR 27 TC 14 Z9 14 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD MAY 17 PY 2010 VL 491 IS 4-6 BP 203 EP 207 DI 10.1016/j.cplett.2010.03.085 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 590YN UT WOS:000277264500018 ER PT J AU Yan, GH Eidenbenz, S Thulasidasan, S Datta, P Ramaswamy, V AF Yan, Guanhua Eidenbenz, Stephan Thulasidasan, Sunil Datta, Pallab Ramaswamy, Venkatesh TI Criticality analysis of Internet infrastructure SO COMPUTER NETWORKS LA English DT Article DE Internet infrastructure; Network modeling; Infrastructure protection AB The Internet has evolved into an indispensable component of our daily lives and protecting its critical infrastructure has thus become a crucial task. In this work, we present and compare different methods to assess the criticality of individual facilities of the Internet infrastructure at a national-level: graph-theoretical analysis, route-based analysis, traffic-based analysis, and consequence-based analysis. Our key observations are: (1) The geographical topology, which is derived from a national-level IP backbone network, has a power-law degree distribution and is a small-world network; (2) A few locations appear much more frequently among all paths in the IP backbone topology than others, and they also witness a high percentage of US Internet traffic. (3) Relative ranking of Internet facility locations from traffic-based analysis differs significantly from those derived from graph-theoretical analysis and route-based analysis, suggesting that a comprehensive, high-fidelity Internet model is necessary to assess critical Internet infrastructure facilities. (4) Consequence-based analysis, although computationally intense, cannot be replaced by other rankings, including traffic-based analysis. Conclusions drawn from this work extend our knowledge regarding the Internet and also shed lights on which critical Internet infrastructure facilities should be protected with limited resources. Published by Elsevier B.V. C1 [Yan, Guanhua; Eidenbenz, Stephan; Thulasidasan, Sunil; Datta, Pallab; Ramaswamy, Venkatesh] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Datta, Pallab] Inst Neurosci, San Diego, CA 92121 USA. [Ramaswamy, Venkatesh] Airvana Inc, Chelmsford, MA 01824 USA. RP Yan, GH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ghyan@lanl.gov OI Eidenbenz, Stephan/0000-0002-2628-1854 NR 29 TC 10 Z9 12 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1389-1286 J9 COMPUT NETW JI Comput. Netw. PD MAY 17 PY 2010 VL 54 IS 7 BP 1169 EP 1182 DI 10.1016/j.comnet.2009.11.002 PG 14 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 598CR UT WOS:000277811100008 ER PT J AU Lukens, WW Walter, MD AF Lukens, Wayne W. Walter, Marc D. TI Quantifying Exchange Coupling in f-Ion Pairs Using the Diamagnetic Substitution Method SO INORGANIC CHEMISTRY LA English DT Article ID LIGAND-FIELD PARAMETERS; SINGLE-MOLECULAR LEVEL; LANTHANIDE COMPLEXES; MAGNETIC EXCHANGE; DY-III; SYSTEMS; URANIUM; LN(3+); LN; PHTHALOCYANINES AB One of the challenges in the chemistry of actinide and lanthanide (f-ion) complexes is quantifying exchange coupling of f-ions. While qualitative information about exchange coupling may be readily obtained using the diamagnetic substitution approach, obtaining quantitative information is much more difficult. This article describes how exchange coupling may be quantified using the susceptibility of a magnetically isolated analog, as in the diamagnetic substitution approach, along with the anisotropy of the ground state, as determined by EPA spectroscopy. Several examples are used to illustrate and test this approach. C1 [Lukens, Wayne W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Actinide Chem Grp, Berkeley, CA 94720 USA. [Lukens, Wayne W.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Lukens, WW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Actinide Chem Grp, Berkeley, CA 94720 USA. EM wwlukens@lbl.gov RI Walter, Marc/E-4479-2012 FU U.S. Department of Energy [DE-AC02-05CH11231] FX The authors wish to thank Richard Andersen, Corwin Booth, and Norman Edelstein for helpful discussions and are especially grateful to Richard Andersen for providing susceptibility data for the cerium, uranium, and ytterbium complexes. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy and by the Director, Office of Science, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 53 TC 24 Z9 25 U1 0 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD MAY 17 PY 2010 VL 49 IS 10 BP 4458 EP 4465 DI 10.1021/ic100120d PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 592MS UT WOS:000277383900010 PM 20392055 ER PT J AU Wang, LP Wu, Q Van Voorhis, T AF Wang, Lee-Ping Wu, Qin Van Voorhis, Troy TI Acid-Base Mechanism for Ruthenium Water Oxidation Catalysts SO INORGANIC CHEMISTRY LA English DT Article ID OXYGEN-EVOLVING COMPLEX; O-O BOND; RAY-ABSORPTION SPECTROSCOPY; COUPLED ELECTRON-TRANSFER; DENSITY-FUNCTIONAL THEORY; SOLVATION FREE-ENERGIES; PHOTOSYSTEM-II; MOLECULAR-DYNAMICS; CENTERED OXIDATION; MANGANESE CLUSTER AB We present a detailed theoretical study of the pathway for water oxidation in synthetic ruthenium-based catalysts. As a first step, we consider a recently discovered single center catalyst, where experimental observations suggest a purely single-center mechanism. We find low activation energies (<5 kcal/mol) for each rearrangement in the catalytic cycle. In the crucial step of O-O bond formation, a solvent water acts as a Lewis base and attacks a highly oxidized Ru(V)=O. Armed with the structures and energetics of the single-center catalyst, we proceed to consider a representative Ru-dimer which was designed to form O(2) via coupling between the two centers. We discover a mechanism that proceeds in analogous fashion to the monomer case, with all the most significant steps occurring at a single catalytic center within the dimer. This acid base mechanism suggests a new set of strategies for the rational design of multicenter catalysts: rather than coordinating the relative orientations of the subunits, one can focus on coordinating solvation-shell water molecules or tuning redox potentials. C1 [Wang, Lee-Ping; Van Voorhis, Troy] MIT, Dept Chem, Cambridge, MA 02139 USA. [Wu, Qin] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Van Voorhis, T (reprint author), MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM tvan@mit.edu RI Wu, Qin/C-9483-2009; Wang, Lee-Ping/P-8597-2016 OI Wu, Qin/0000-0001-6350-6672; Wang, Lee-Ping/0000-0003-3072-9946 FU U.S. Department of Energy [DE-AC02-98CH10886]; David & Lucille Packard Foundation FX This work was funded by ENI SpA as part of the Solar Frontiers Research Program. Q.W. acknowledges support from the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. T.V. gratefully acknowledges a fellowship from the David & Lucille Packard Foundation. We thank Yogesh Surendranath for insightful discussion. NR 85 TC 94 Z9 94 U1 2 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD MAY 17 PY 2010 VL 49 IS 10 BP 4543 EP 4553 DI 10.1021/ic100075k PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 592MS UT WOS:000277383900021 PM 20394383 ER PT J AU Wang, H Misra, S Wang, F Miller, GJ AF Wang, Hui Misra, Sumohan Wang, Fei Miller, Gordon J. TI Structural and Magnetic Characteristics of Gd5GaxSi4-x SO INORGANIC CHEMISTRY LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ELECTRICAL-RESISTANCE; CRYSTAL-STRUCTURE; TRANSITION; GD-5(SI2GE2); GD-5(SIXGE1-X)(4); GD-5(SI1.8GE2.2); GD5GAXGE4-X AB A crystallographic study and theoretical analysis of the Si/Ga site preferences in the Gd5GaxSi4-x series is presented. Gd5GaxSi4-x adopt the orthorhombic Gd5Si4-type structure (space group Pnma, Z = 4) with a maximum Ga content near x = 1.00, as determined by single crystal and powder X-ray diffraction. Refinements from single crystal X-ray diffraction studies of the three independent sites for Si/Ga atoms in the asymmetric unit (interslab T1, intraslab T2 and T3) reveal partial mixing of these elements, with a clear preference for Ga substitution at the interslab T1 sites. To investigate site preferences of Si/Ga atoms, first-principles electronic structure calculations were carried out using the Vienna ab initio simulation package (VASP) and the Stuttgart tight-binding, linear-muffin-tin orbital program with the atomic sphere approximation (TB-LMTO-ASA). Analysis of various crystal orbital Hamilton population (COHP) curves provide some further insights into the structural tendencies and indicate the roles of both sizes and electronegativities of Ga and Si toward influencing the observed upper limit in Ga content in Gd5GaxSi4-x. The magnetic properties of two Gd5GaxSi4-x phases are also reported: both show ferromagnetic behavior with Curie temperatures lower than that for Gd5Si4. C1 [Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM gmiller@iastate.edu RI Wang, Fei/I-2071-2012 FU U.S. Department of Energy [DE-ACO2-07CH11358]; Office of the Basic Energy Sciences, Materials Sciences Division, U.S. DOE FX This manuscript has been authored by Iowa State University of Science and Technology under Contract No. DE-ACO2-07CH11358 with the U.S. Department of Energy. The research was supported by the Office of the Basic Energy Sciences, Materials Sciences Division, U.S. DOE. NR 36 TC 9 Z9 9 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD MAY 17 PY 2010 VL 49 IS 10 BP 4586 EP 4593 DI 10.1021/ic100142u PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 592MS UT WOS:000277383900026 PM 20397711 ER PT J AU Teh, KY Lutz, AE AF Teh, Kwee-Yan Lutz, Andrew E. TI Thermodynamic analysis of fermentation and anaerobic growth of baker's yeast for ethanol production SO JOURNAL OF BIOTECHNOLOGY LA English DT Article DE Ethanol production; Yeast fermentation; Continuous culture; Thermodynamic analysis; Exergy efficiency ID LIMITED CHEMOSTAT CULTURES; FLUX BALANCE ANALYSIS; SACCHAROMYCES-CEREVISIAE; MICROBIAL-GROWTH; ACTIVITY-COEFFICIENTS; METABOLIC NETWORKS; AQUEOUS-SOLUTIONS; BIOMASS YIELDS; ENERGY; GLUCOSE AB Thermodynamic concepts have been used in the past to predict microbial growth yield. This may be the key consideration in many industrial biotechnology applications. It is not the case, however, in the context of ethanol fuel production. In this paper, we examine the thermodynamics of fermentation and concomitant growth of baker's yeast in continuous culture experiments under anaerobic, glucose-limited conditions, with emphasis on the yield and efficiency of bio-ethanol production. We find that anaerobic metabolism of yeast is very efficient; the process retains more than 90% of the maximum work that could be extracted from the growth medium supplied to the chemostat reactor. Yeast cells and other metabolic by-products are also formed, which reduces the glucose-to-ethanol conversion efficiency to less than 75%. Varying the specific ATP consumption rate, which is the fundamental parameter in this paper for modeling the energy demands of cell growth, shows the usual trade-off between ethanol production and biomass yield. The minimum ATP consumption rate required for synthesizing cell materials leads to biomass yield and Gibbs energy dissipation limits that are much more severe than those imposed by mass balance and thermodynamic equilibrium constraints. (C) 2010 Elsevier B.V. All rights reserved. C1 [Teh, Kwee-Yan; Lutz, Andrew E.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Teh, KY (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9052, Livermore, CA 94551 USA. EM kteh@sandia.gov; aelutz@sandia.gov FU Sandia National Laboratories; Department of Energy [DE-AC04-94AL85000] FX We would like to thank Mr. Wiley Neel for his assistance with the thermodynamic calculations, and Dr. Chris Shaddix for helpful discussions. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the Department of Energy under contract DE-AC04-94AL85000. NR 52 TC 7 Z9 7 U1 4 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1656 J9 J BIOTECHNOL JI J. Biotechnol. PD MAY 17 PY 2010 VL 147 IS 2 BP 80 EP 87 DI 10.1016/j.jbiotec.2010.02.009 PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 608IS UT WOS:000278577700002 PM 20184925 ER PT J AU Shumay, E Fowler, JS AF Shumay, Elena Fowler, Joanna S. TI Identification and characterization of putative methylation targets in the MAOA locus using bioinformatic approaches SO EPIGENETICS LA English DT Article DE human MAOA gene; epigenetic regulation; DNA methylation; epigenetic potential; computational analysis ID MONOAMINE-OXIDASE-A; G-QUADRUPLEX DNA; CPG-ISLANDS; HUMAN GENOME; GENE-EXPRESSION; HUMAN BRAIN; PROMOTER SEQUENCES; X INACTIVATION; RNA-POLYMERASE; BINDING-FACTOR AB Monoamine oxidase A (MAO A) is an enzyme that catalyzes the oxidation of neurotransmitter amines. A functional polymorphism in the human MAOA gene (high- and low-MAOA) has been associated with distinct behavioral phenotypes. To investigate directly the biological mechanism whereby this polymorphism influences brain function, we recently measured the activity of the MAO A enzyme in healthy volunteers. When found no relationship between the individual's brain MAO A level and the MAOA genotype, we postulated that there are additional regulatory mechanisms that control the MAOA expression. Given that DNA methylation is linked to the regulation of gene expression, we hypothesized that epigenetic mechanisms factor into the MAOA expression. Our underplaying assumption was that the differences in an individual's genotype play a key role in the epigenetic potential of the MAOA locus and, consequently, determine the individual's level of MAO A activity in the brain. As a first step towards experimental validation of the hypothesis, we performed a comprehensive bioinformatic analysis aiming to interrogate genomic features and attributes of the MAOA locus that might modulate its epigenetic sensitivity. Major findings of our analysis are the following: (1) the extended MAOA regulatory region contains two CpG islands (CGIs), one of which overlaps with the canonical MAOA promoter and the other is located further upstream; both CGIs exhibit sensitivity to differential methylation. (2) The uVNTR's effect on the MAOA's transcriptional activity might have epigenetic nature: this polymorphic region resides within the MAOA's CGI and itself contains CpGs, thus, the number of repeating increments effectively changes the number of methylatable cytosines in the MAOA promoter. An array of in silico analyses (the nucleosome positioning, the physical properties of the local DNA, the clustering of transcription-factor binding sites) together with experimental data on histone modifications and Pol 2 sites and data from the RefSeq mRNA library suggest that the MAOA gene might have an alternative promoter. Based on our findings, we propose a regulatory mechanism for the human MAOA according to which the MAOA expression in vivo is executed by the generation of tissue-specific transcripts initiated from the alternative promoters (both CGI-associated) where transcriptional activation of a particular promoter is under epigenetic control. C1 [Shumay, Elena; Fowler, Joanna S.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Shumay, E (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. EM eshumay@bnl.gov FU National Institute on Drug Abuse [KO1 DA025280-01A1, K05 DA20001] FX This work was performed at Brookhaven National Laboratory with infrastructure support for the Department of Energy, Office of Biological and Environmental Research and funded by the National Institute on Drug Abuse, grants KO1 DA025280-01A1 (E.S.) and K05 DA20001 (J.S.F.). We thank Dr. Ian Craig for helpful discussions, Dr. Jacob Hooker for discussion and his suggestions for the organization of the manuscript and Dr. Avril Woodhead for critical reading and discussion. NR 111 TC 15 Z9 16 U1 0 U2 5 PU LANDES BIOSCIENCE PI AUSTIN PA 1806 RIO GRANDE ST, AUSTIN, TX 78702 USA SN 1559-2294 J9 EPIGENETICS-US JI Epigenetics PD MAY 16 PY 2010 VL 5 IS 4 BP 325 EP 342 PG 18 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 629NO UT WOS:000280206800010 PM 20421737 ER PT J AU Du, YZ Zhang, W Whitten, W Li, HY Watson, DB Xu, J AF Du, Yongzhai Zhang, Wei Whitten, William Li, Haiyang Watson, David B. Xu, Jun TI Membrane-Extraction Ion Mobility Spectrometry for in Situ Detection of Chlorinated Hydrocarbons in Water SO ANALYTICAL CHEMISTRY LA English DT Article ID VOLATILE ORGANIC-COMPOUNDS; MASS-SPECTROMETER; AQUEOUS-SOLUTIONS; PERVAPORATION; AIR; IONIZATION; SEPARATION AB Membrane-extraction ion mobility spectrometry (ME-IMS) has been developed for in situ sampling and analysis of trace chlorinated hydrocarbons in water in a single procedure. The sampling is configured so that aqueous contaminants permeate through a spiral hollow poly(dimethylsiloxane) (PDMS) membrane and are carried away by a vapor flow through the membrane tube. The extracted analyte flows into an atmospheric-pressure chemical-ionization (APCI) chamber and is analyzed in a specially made IMS analyzer. The PDMS membrane was found to effectively extract chlorinated hydrocarbon solvents from the liquid phase to vapor. The specialized IMS analyzer has measured resolutions of R = 33 and 41, respectively, for negative- and positive-modes and is capable of detecting aqueous tetrachloroethylene (PCE) and trichloroethylene (ICE) as low as 80 and 74 mu g/L in the negative ion mode, respectively. The time-dependent characteristics of sampling and detection of ICE are both experimentally and theoretically studied for various concentrations, membrane lengths, and flow rates. These characteristics demonstrate that membrane-extraction IMS is feasible for the continuous monitoring of chlorinated hydrocarbons in water. C1 [Du, Yongzhai; Zhang, Wei; Whitten, William; Watson, David B.; Xu, Jun] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Li, Haiyang] Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China. RP Xu, J (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM xuj2@ornl.gov RI Zhang, Wei/B-9471-2013 FU Strategic Environmental Research and Development Programs (SERDP); Laboratory Directed Research and Development Program FX Research was sponsored by the Strategic Environmental Research and Development Programs (SERDP). The modeling portion of research was sponsored by the Laboratory Directed Research and Development Program. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract DE-AC05-000R22725. NR 23 TC 16 Z9 19 U1 3 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD MAY 15 PY 2010 VL 82 IS 10 BP 4089 EP 4096 DI 10.1021/ac100162d PG 8 WC Chemistry, Analytical SC Chemistry GA 594IV UT WOS:000277531500018 PM 20334385 ER PT J AU Fraga, CG Clowers, BH Moore, RJ Zink, EM AF Fraga, Carlos G. Clowers, Brian H. Moore, Ronald J. Zink, Erika M. TI Signature-Discovery Approach for Sample Matching of a Nerve-Agent Precursor Using Liquid Chromatography-Mass Spectrometry, XCMS, and Chemometrics SO ANALYTICAL CHEMISTRY LA English DT Article ID METABOLOMICS; ALIGNMENT AB This report demonstrates the use of bioinformatic and chemometric tools on liquid chromatography-mass spectrometry (LC-MS) data for the discovery of trace forensic signatures for sample matching of ten stocks of the nerve-agent precursor known as methylphosphonic dichloride (dichlor). XCMS, a software tool primarily used in bioinformatics, was used to comprehensively search and find candidate LC-MS peaks in a known set of dichlor samples. These candidate peaks were down selected to a group of 34 impurity peaks. Hierarchal cluster analysis and factor analysis demonstrated the potential of these 34 impurities peaks for matching samples based on their stock source. Only one pair of dichlor stocks was not differentiated from one another. An acceptable chemometric approach for sample matching was determined to be variance scaling and signal averaging of normalized duplicate impurity profiles prior to classification by K-nearest neighbors. Using this approach, a test set of seven dichlor samples were all correctly matched to their source stock. The sample preparation and LC-MS method permitted the detection of dichlor impurities quantitatively estimated to be in the parts-per-trillion (w/w). The detection of a common impurity in all dichlor stocks that were synthesized over a 14-year period and by different manufacturers was an unexpected discovery. Our described signature-discovery approach should be useful in the development of a forensic capability to assist investigations following chemical attacks. C1 [Fraga, Carlos G.; Clowers, Brian H.; Moore, Ronald J.; Zink, Erika M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fraga, CG (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM carlos.fraga@pnl.gov RI Zink, Erika/E-2135-2014 OI Zink, Erika/0000-0003-0754-9816 FU Science and Technology Directorate, U.S. Department of Homeland Security FX Funding for this work provided by the Science and Technology Directorate, U.S. Department of Homeland Security. NR 19 TC 15 Z9 16 U1 5 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD MAY 15 PY 2010 VL 82 IS 10 BP 4165 EP 4173 DI 10.1021/ac1003568 PG 9 WC Chemistry, Analytical SC Chemistry GA 594IV UT WOS:000277531500029 PM 20405949 ER PT J AU Lebarbier, V Dagle, R Datye, A Wang, Y AF Lebarbier, V. Dagle, R. Datye, A. Wang, Y. TI The effect of PdZn particle size on reverse-water-gas-shift reaction SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE PdZn catalyst; PdZn particle size; PdZn alloy; Reverse-water-gas-shift; CO formation ID HYDROGEN-PRODUCTION; METHANOL; CATALYSTS; ALLOYS; PD/ZNO AB The effect of PdZn particle size on the catalytic activity of Pd/ZnO catalysts for the reverse-water-gasshift (RWGS) reaction was studied. The PdZn particle size was varied by adjusting Pd loading and reducing the catalysts at different temperatures. XRD and IR spectroscopy characterization confirmed the absence of metallic Pd on the catalyst surface. Consequently, the effect of PdZn alloy particle size on the RWGS reaction can be unambiguously studied without the complication of reactions catalyzed by metallic Pd. The results indicated that the turnover frequency increases as the PdZn crystallite size decreases. Interestingly, this structure relationship between PdZn particle size and RWGS activity is consistent with that previously observed for the steam reforming of methanol, i.e., higher CO selectivity on smaller PdZn particles. Thus, RWGS has been identified as a likely potential reaction pathway to undesired CO formation in methanol steam reforming on Pd/ZnO catalysts for hydrogen production. Published by Elsevier B.V. C1 [Lebarbier, V.; Dagle, R.; Wang, Y.] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. [Lebarbier, V.; Datye, A.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. [Wang, Y.] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA USA. RP Wang, Y (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM yongwang@pnl.gov RI Wang, Yong/C-2344-2013; OI Datye, Abhaya/0000-0002-7126-8659 FU U.S. Department of Energy's Office of Biological and Environmental Research; U.S. Department of Energy [DE-FG02-05ER15712] FX This work was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research, located at Pacific Northwest National Laboratory in Richland, WA. We greatly acknowledge funding for this work provided by the U.S. Department of Energy (grant no. DE-FG02-05ER15712). NR 19 TC 18 Z9 18 U1 3 U2 46 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD MAY 15 PY 2010 VL 379 IS 1-2 BP 3 EP 6 DI 10.1016/j.apcata.2010.02.008 PG 4 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 602YH UT WOS:000278174500002 ER PT J AU Ferrandon, M Kropf, AJ Krause, T AF Ferrandon, Magali Kropf, A. Jeremy Krause, Theodore TI Bimetallic Ni-Rh catalysts with low amounts of Rh for the steam and autothermal reforming of n-butane for fuel cell applications SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE Rh; Ni; Ceria; Alumina; Reforming; Butane; Coke; TPR; EXAFS; SEM ID SYNTHESIS GAS; PARTIAL OXIDATION; XAFS CHARACTERIZATION; NICKEL-CATALYSTS; CARBON-DIOXIDE; METHANE; ALUMINA; HYDROGEN; SUPPORT; METAL AB Mono-metallic nickel and rhodium catalysts and bimetallic Ni-Rh catalysts supported on La-Al(2)O(3), CeZrO(2) and CeMgO(x) were prepared and evaluated for catalyzing the steam and autothermal reforming of n-butane. The binary Ni-Rh supported on La-Al(2)O(3) catalysts with low weight loading of rhodium exhibited higher H(2) yields than Ni or Rh alone. The Ni-Rh/CeZrO(2) catalyst exhibited higher performance and no coke formation, compared to the same metals on other supports. A NiAl(2)O(4) spinel phase was obtained on all Ni and Ni-Rh catalysts supported on La-Al(2)O(3). The presence of rhodium stabilized the spinel phase as well as NiO(x) species upon reforming while Ni alone was mostly reduced into metallic species. Extended X-ray absorption fine-structure analysis showed evidence of Ni-Rh alloy during preparation and even further after an accelerated aging at 900 degrees C in a H(2)/H(2)O atmosphere. Published by Elsevier B.V. C1 [Ferrandon, Magali; Kropf, A. Jeremy; Krause, Theodore] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Ferrandon, M (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ferrandon@anl.gov RI ID, MRCAT/G-7586-2011 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; U.S. Department of Energy, Office of Science; U.S. Department of Energy [DE-FG02-04ER46106, DE-AC02-06CH11357] FX The authors sincerely thank Jennifer Mawdsley for SEM analyses, and Alcoa World Alumina for providing lanthanum-stabilized alumina support. This work was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells, and Infrastructure Technologies Program. Use of the Advanced Photon Source and the Electron Microscopy Center were supported by the U.S. Department of Energy, Office of Science. Work performed at MRCAT is supported, in part, by funding from the U.S. Department of Energy under grant no. DE-FG02-04ER46106. Argonne National Laboratory is operated by UChicago Argonne, LLC, for the U.S. Department of Energy under contract no. DE-AC02-06CH11357. NR 31 TC 25 Z9 25 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD MAY 15 PY 2010 VL 379 IS 1-2 BP 121 EP 128 DI 10.1016/j.apcata.2010.03.013 PG 8 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 602YH UT WOS:000278174500017 ER PT J AU Schonberger, M Leggett, C Kim, SW Hooker, JM AF Schoenberger, Matthias Leggett, Carmine Kim, Sung Won Hooker, Jacob M. TI Synthesis of [C-11]SSR149415 and preliminary imaging studies using positron emission tomography SO BIOORGANIC & MEDICINAL CHEMISTRY LETTERS LA English DT Article DE Positron emission tomography; Vasopressin; SSR149415; Carbon-11 ID V-1B RECEPTOR ANTAGONIST; STRESS-RELATED DISORDERS; VASOPRESSIN ANTAGONISTS; ANXIOLYTIC-LIKE; V1B RECEPTOR; SSR149415; RODENT; SYSTEM; RAT AB SSR149415 was the first non-peptide vasopressin-(V-1b) receptor antagonist reported. It has been used to probe the role of V-1b receptors in animal models of depression, aggression, and stress-anxiety, and was progressed to clinical trials for the treatment of depression. Due to the interest in V-1b receptors as a therapeutic target and the growing use of SSR149415 in preclinical research, we developed a method to label SSR145419 with carbon-11 and have studied its pharmacokinetics in non-human primates using positron emission tomography. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Schoenberger, Matthias; Kim, Sung Won; Hooker, Jacob M.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Schoenberger, Matthias] Johannes Gutenberg Univ Mainz, Dept Nucl Chem, D-55128 Mainz, Germany. [Leggett, Carmine] Univ Louisville, Sch Med, Dept Pharmacol & Toxicol, Louisville, KY 40202 USA. [Hooker, Jacob M.] Athinoula A Martinos Ctr Biomed Imaging, Charlestown, MA 02129 USA. [Hooker, Jacob M.] Harvard Univ, Massachusetts Gen Hosp, Sch Med, Div Nucl Med & Mol Imaging, Boston, MA 02114 USA. RP Hooker, JM (reprint author), Brookhaven Natl Lab, Dept Med, Bldg 555, Upton, NY 11973 USA. EM hooker@nmr.mgh.harvard.edu OI Hooker, Jacob/0000-0002-9394-7708 FU Brookhaven National Laboratory with the U. S. Department of Energy [DE-AC02-98CH10886]; Study Foundation of the German People FX This study was supported by Brookhaven National Laboratory under contract DE-AC02-98CH10886 with the U. S. Department of Energy, supported by its Office of Biological and Environmental Research. Funding for M. S. was provided by the Study Foundation of the German People. The authors are grateful to Dr. Michael Schueller for cyclotron operation and the PET radiochemistry, the imaging team at BNL (Youwen Xu, Colleen Shea, Lisa Muench, David Alexoff, Pauline Carter, Payton King, and Don Warner) for carrying out primate imaging experiments, and to Dr. Joanna Fowler for scientific input and guidance. M. S. acknowledges Prof. Dr. Frank Rosch for advice and support during this work. NR 24 TC 14 Z9 14 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-894X J9 BIOORG MED CHEM LETT JI Bioorg. Med. Chem. Lett. PD MAY 15 PY 2010 VL 20 IS 10 BP 3103 EP 3106 DI 10.1016/j.bmcl.2010.03.108 PG 4 WC Chemistry, Medicinal; Chemistry, Organic SC Pharmacology & Pharmacy; Chemistry GA 590RY UT WOS:000277246300018 PM 20400305 ER PT J AU Yu, XY Wang, HY Liu, S Zhang, XM Guida, P Hu, BC Wang, Y AF Yu, Xiaoyan Wang, Hongyan Liu, Shuang Zhang, Xiangming Guida, Peter Hu, Baocheng Wang, Ya TI A small peptide mimicking the key domain of MEPE/OF45 interacting with CHK1 protects human cells from radiation-induced killing SO CELL CYCLE LA English DT Article DE MEPE/OF45; CHK1; ionizing radiation ID HOMOLOGOUS RECOMBINATION REPAIR; ENERGY-TRANSFER RADIATION; S-PHASE CELLS; IONIZING-RADIATION; CHECKPOINT RESPONSE; ATR/CHK1 PATHWAY; BONE; GENE; ATR; RADIOSENSITIVITY AB Checkpoint activation benefits DNA homologous recombination repair and; therefore, protects cells from ionizing radiation (IR)-induced killing. CHK1 is one of the most important checkpoint regulators in mammalian cells. We recently reported that matrix extracellular phosphoglycoprotein/osteoblast factor 45 (MEPE/OF45) stabilizes CHK1 through interacting with CHK1, thus protecting cells from IR-induced killing. The purpose of this study is to investigate whether a small peptide that mimics the key domain of MEPE/OF45 could interact with CHK1 and protect cells from IR-induced killing. We showed here that the synthesized peptide with 18 amino acids (aa) could enter human transformed lymphoblasts when it is linked to fatty acid CH 3 (CH 2) 8 CO. After the 18 aa peptide entered the human cells, it interacted with CHK1, increased the CHK1 level and induced a stronger G 2 arrest in the cells following IR. More importantly, the 18 aa peptide could protect the cells from IR-induced killing. Our data indicate that the 18 aa peptide, similar to MEPE/OF45, reduces CHK1 degradation and protects cells from IR-induced killing. We believe that these results provide useful information for drug development in two directions: protect cells from IR-induced damage and sensitize cells to radiation therapy. C1 [Yu, Xiaoyan; Wang, Hongyan; Liu, Shuang; Zhang, Xiangming; Wang, Ya] Emory Univ, Winship Canc Inst, Dept Radiat Oncol, Atlanta, GA 30322 USA. [Yu, Xiaoyan] Jilin Univ, Sch Pharm, Dept Expt Pharmacol & Toxicol, Changchun 130023, Peoples R China. [Guida, Peter] Brookhaven Natl Lab, NSRL, Med Dept Liaison Scientist, Upton, NY 11973 USA. [Liu, Shuang] Jiamusi Univ, Coll Med, Dept Genet, Jiamusi, Peoples R China. [Hu, Baocheng] Beijing Inst Biotechnol, Beijing, Peoples R China. RP Wang, Y (reprint author), Emory Univ, Winship Canc Inst, Dept Radiat Oncol, Atlanta, GA 30322 USA. EM yawang@radonc.emory.org FU National Basic Research Program of China [2005CB522506, 2007CB914604]; National Natural Science Foundation of China [30770651, 30670616, 30370441]; National Institutes of Health; National Aeronautics and Space Administration USA [GM080771, NNX07AT40G] FX We thank Drs. Levine and Lavin for providing the cell lines. We thank Brookhaven National Laboratory support group for helping with high-LET irradiation. We thank Doreen Theune for editing this manuscript. This work is supported by grants from the National Basic Research Program of China (2005CB522506 and 2007CB914604 to B. H.), the National Natural Science Foundation of China (30770651, 30670616 and 30370441 to B. H.), and the grants from the National Institutes of Health and from National Aeronautics and Space Administration USA (GM080771 and NNX07AT40G to Y.W.). NR 24 TC 3 Z9 5 U1 0 U2 5 PU LANDES BIOSCIENCE PI AUSTIN PA 1806 RIO GRANDE ST, AUSTIN, TX 78702 USA SN 1538-4101 J9 CELL CYCLE JI Cell Cycle PD MAY 15 PY 2010 VL 9 IS 10 BP 1981 EP 1985 PG 5 WC Cell Biology SC Cell Biology GA 600VB UT WOS:000278015900026 PM 20436300 ER PT J AU Lemke, S Busch, SE Antonopoulos, DA Meyer, F Domanus, MH Schmidt-Ott, U AF Lemke, Steffen Busch, Stephanie E. Antonopoulos, Dionysios A. Meyer, Folker Domanus, Marc H. Schmidt-Ott, Urs TI Maternal activation of gap genes in the hover fly Episyrphus SO DEVELOPMENT LA English DT Article DE Episyrphus; Evolutionary development; Bicoid; Gap genes ID DROSOPHILA HEAD DEVELOPMENT; MESSENGER-RNA LOCALIZATION; BICOID MORPHOGEN GRADIENT; GERM WASP NASONIA; BODY PATTERN; CYCLORRHAPHAN FLIES; BEETLE TRIBOLIUM; POSITIONAL INFORMATION; TRANSLATIONAL CONTROL; TAILLESS EXPRESSION AB The metameric organization of the insect body plan is initiated with the activation of gap genes, a set of transcription-factor-encoding genes that are zygotically expressed in broad and partially overlapping domains along the anteroposterior (AP) axis of the early embryo. The spatial pattern of gap gene expression domains along the AP axis is generally conserved, but the maternal genes that regulate their expression are not. Building on the comprehensive knowledge of maternal gap gene activation in Drosophila, we used loss-and gain-of-function experiments in the hover fly Episyrphus balteatus (Syrphidae) to address the question of how the maternal regulation of gap genes evolved. We find that, in Episyrphus, a highly diverged bicoid ortholog is solely responsible for the AP polarity of the embryo. Episyrphus bicoid represses anterior zygotic expression of caudal and activates the anterior and central gap genes orthodenticle, hunchback and Kruppel. In bicoid-deficient Episyrphus embryos, nanos is insufficient to generate morphological asymmetry along the AP axis. Furthermore, we find that torso transiently regulates anterior repression of caudal and is required for the activation of orthodenticle, whereas all posterior gap gene domains of knirps, giant, hunchback, tailless and huckebein depend on caudal. We conclude that all maternal coordinate genes have altered their specific functions during the radiation of higher flies (Cyclorrhapha). C1 [Lemke, Steffen; Busch, Stephanie E.; Schmidt-Ott, Urs] Univ Chicago, Dept Organismal Biol & Anat, Chicago, IL 60637 USA. [Antonopoulos, Dionysios A.; Meyer, Folker; Domanus, Marc H.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. RP Schmidt-Ott, U (reprint author), Univ Chicago, Dept Organismal Biol & Anat, CLSC 921B,920 E 58th St, Chicago, IL 60637 USA. EM uschmid@uchicago.edu RI Lemke, Steffen/A-2463-2017; OI Busch, Stephanie E/0000-0003-4073-5311; Meyer, Folker/0000-0003-1112-2284 FU NSF [0719445, 0840687] FX We thank Ab. Matteen Rafiqi for comments on the manuscript, Annette Lemke for help with the Episyrphus culture and two anonymous reviewers for their helpful comments. Funding was provided by NSF grants 0719445 and 0840687 to U.S.-O. NR 94 TC 28 Z9 28 U1 0 U2 4 PU COMPANY OF BIOLOGISTS LTD PI CAMBRIDGE PA BIDDER BUILDING CAMBRIDGE COMMERCIAL PARK COWLEY RD, CAMBRIDGE CB4 4DL, CAMBS, ENGLAND SN 0950-1991 J9 DEVELOPMENT JI Development PD MAY 15 PY 2010 VL 137 IS 10 BP 1709 EP 1719 DI 10.1242/dev.046649 PG 11 WC Developmental Biology SC Developmental Biology GA 588OI UT WOS:000277081100013 PM 20430746 ER PT J AU Gelfand, I Snapp, SS Robertson, GP AF Gelfand, Ilya Snapp, Sieglinde S. Robertson, G. Philip TI Energy Efficiency of Conventional, Organic, and Alternative Cropping Systems for Food and Fuel at a Site in the US Midwest SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID LIFE-CYCLE ASSESSMENT; SOIL CARBON; CORN; THERMODYNAMICS; AGRICULTURE; BIOETHANOL; EVOLUTION; TILLAGE; ETHANOL; BIOMASS AB The prospect of biofuel production on a large scale has focused attention on energy efficiencies associated with different agricultural systems and production goals. We used 17 years of detailed data on agricultural practices and yields to calculate an energy balance for different cropping systems under both food and fuel scenarios. We compared four grain and one forage systems in the U.S. Midwest corn (Zea mays) - soybean (Glycine max) - wheat (Triticum aestivum) rotations managed with (1) conventional tillage, (2) no till, (3) low chemical input, and (4) biologically based (organic) practices, and (5) continuous alfalfa (Medicago sativa). We compared energy balances under two scenarios: all harvestable biomass used for food versus all harvestable biomass used for biofuel production. Among the annual grain crops, average energy costs of farming for the different systems ranged from 4.8 GJ ha(-1) y(-1) for the organic system to 7.1 GJ ha(-1) y(-1) for the conventional; the no-till system was also low at 4.9 GJ ha(-1) y(-1) and the low-chemical input system intermediate (5.2 GJ ha(-1) y(-1)). For each system, the average energy output for food was always greater than that for fuel. Overall energy efficiencies ranged from output:input ratios of 10 to 16 for conventional and no-till food production and from 7 to 11 for conventional and no-till fuel production, respectively. Alfalfa for fuel production had an efficiency similar to that of no-till grain production for fuel. Our analysis points to a more energetically efficient use of cropland for food than for fuel production and large differences in efficiencies attributable to management, which suggests multiple opportunities for improvement. C1 [Gelfand, Ilya; Snapp, Sieglinde S.; Robertson, G. Philip] Michigan State Univ, WK Kellogg Biol Stn, E Lansing, MI 48824 USA. [Gelfand, Ilya; Robertson, G. Philip] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Snapp, Sieglinde S.; Robertson, G. Philip] Michigan State Univ, Dept Crop & Soil Sci, E Lansing, MI 48824 USA. RP Gelfand, I (reprint author), Michigan State Univ, WK Kellogg Biol Stn, Michigan 49060, E Lansing, MI 48824 USA. EM igelfand@msu.edu RI Snapp, Sieglinde/D-5109-2013; Gelfand, Ilya/J-9017-2012; OI Gelfand, Ilya/0000-0002-8576-0978; Robertson, G/0000-0001-9771-9895 FU U.S. National Science Foundation; DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494]; Michigan Agricultural Experiment Station FX We thank S. Bohm and S. Vanderwulp for help with assembling the data for this analysis. This research was supported by the U.S. National Science Foundation (LTER program), DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494), and the Michigan Agricultural Experiment Station. NR 32 TC 45 Z9 46 U1 3 U2 54 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 15 PY 2010 VL 44 IS 10 BP 4006 EP 4011 DI 10.1021/es903385g PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 593YP UT WOS:000277499500056 PM 20402534 ER PT J AU Rustad, JR Bylaska, EJ Jackson, VE Dixon, DA AF Rustad, James R. Bylaska, Eric J. Jackson, Virgil E. Dixon, David A. TI Calculation of boron-isotope fractionation between B(OH)(3)(aq) and B(OH)(4)(-)(aq) SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID PARTITION-FUNCTION RATIOS; MOLECULAR-ORBITAL THEORY; GENERALIZED GRADIENT APPROXIMATION; DENSITY-FUNCTIONAL THEORY; AB-INITIO CALCULATION; OCEAN PH; CORRELATION-ENERGY; ELECTRON CORRELATION; BORIC ACIDS; BASIS-SETS AB Density functional and correlated molecular orbital calculations (MP2) are carried out on B(OH)(3)center dot nH(2)O clusters (n = 0, 6, 32), and B(OH)(4)(-)center dot nH(2)O (n = 0, 8, 11, 32) to estimate the equilibrium distribution of B-10 and B-11 isotopes between boric acid and borate in aqueous solution. For the large 32-water clusters, multiple conformations are generated from ab initio molecular dynamics simulations to account for the effect of solvent fluctuations on the isotopic fractionation. We provide an extrapolated value of the equilibrium constant alpha(34) for the isotope exchange reaction B-10(OH)(3)(aq) + B-11(OH)(4)(-) (aq) = B-11(OH)(3)(aq) + B-11(OH)(4)(-) (aq) of 1.026-1.028 near the MP2 complete basis set limit with 32 explicit waters of solvation. With some exchange-correlation functionals we find potentially important contributions from a tetrahedral neutral B(OH)(3)center dot H2O Lewis acid-base complex. The extrapolations presented here suggest that DFT calculations give a value for 10(3)In alpha(34) about 15% higher than the MP2 calculations. (c) 2010 Elsevier Ltd. All rights reserved. C1 [Rustad, James R.] Univ Calif Davis, Dept Geol, Davis, CA 95616 USA. [Bylaska, Eric J.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Jackson, Virgil E.; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. RP Rustad, JR (reprint author), Univ Calif Davis, Dept Geol, 1 Shields Ave, Davis, CA 95616 USA. EM jrrustad@ucdavis.edu FU Chemistry and Geosciences Division, Office of Basic Energy Sciences, United States Department of Energy; Pacific Northwest National Laboratory FX The Chemistry and Geosciences Division, Office of Basic Energy Sciences, United States Department of Energy supported this work. We acknowledge a generous grant of computer time from the Molecular Science Computing Facility of the Environmental Molecular Sciences Laboratory operated by the Pacific Northwest National Laboratory. We are grateful for comments from Jack Tossell and two anonymous reviewers which improved the quality and clarity of the manuscript. NR 49 TC 22 Z9 24 U1 4 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD MAY 15 PY 2010 VL 74 IS 10 BP 2843 EP 2850 DI 10.1016/j.gca.2010.02.032 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 587JZ UT WOS:000276989400003 ER PT J AU Zielinski, AJ Fong, S Allison, J Kawahara, M Coppe, JP Feiler, H Lee, NM Desprez, PY AF Zielinski, Anne J. Fong, Sylvia Allison, Juanita Kawahara, Misako Coppe, Jean-Philippe Feiler, Heidi Lee, Nancy M. Desprez, Pierre-Yves TI The helix-loop-helix Id-1 inhibits PSA expression in prostate cancer cells SO INTERNATIONAL JOURNAL OF CANCER LA English DT Article DE transcriptional regulator; prostate specific antigen; prostate acid phosphatase; androgen receptor ID GENE-EXPRESSION; OVER-EXPRESSION; DOWN-REGULATION; PROTEINS; GROWTH; OVEREXPRESSION; IDENTIFICATION; PROGRESSION; ACTIVATION; RESISTANCE AB The inhibitor of basic helix-loop-helix transcription factors, Id-1, is an important gene whose expression increases during prostate cancer progression and that upregulates proliferation, migration and invasion. We used microarray analysis to identify the downstream genes whose transcriptional expression is modulated by Id-1 protein. We compared gene expression in control LNCaP cells and Id-l-transduced LNCaP cells, which become significantly more aggressive after Id-1 overexpression, thus mimicking the high levels of Id-1 detected in metastatic cell lines. We used the Affy HTA U133A Expression Arrays with 45,000 probe sets representing more than 39,000 transcripts. We found that one of the most significantly downregulated genes on Id-1 expression was kallikrein 3 [also called prostate specific antigen (PSA)], the most commonly used biomarker of prostate cancer. Here, we show that the reduction in PSA mRNA and protein expression associated with high-grade prostate cancers, which generally express high levels of Id-1, could be the consequence of Id-1 overexpression. C1 [Zielinski, Anne J.; Fong, Sylvia; Allison, Juanita; Kawahara, Misako; Coppe, Jean-Philippe; Lee, Nancy M.; Desprez, Pierre-Yves] Calif Pacific Med Ctr, Canc Res Inst, San Francisco, CA 94107 USA. [Feiler, Heidi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Desprez, PY (reprint author), Calif Pacific Med Ctr, Canc Res Inst, 475 Brannan St,Suite 220, San Francisco, CA 94107 USA. EM pydesprez@cpmcri.org FU Department of Defense-Prostate Cancer Research Program [PC041013] FX Grant sponsor: Department of Defense-Prostate Cancer Research Program; Grant number: PC041013 NR 32 TC 5 Z9 6 U1 0 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0020-7136 J9 INT J CANCER JI Int. J. Cancer PD MAY 15 PY 2010 VL 126 IS 10 BP 2490 EP 2496 DI 10.1002/ijc.24811 PG 7 WC Oncology SC Oncology GA 586RF UT WOS:000276928700022 PM 19662653 ER PT J AU France, R Ptak, AJ Jiang, CS Ahrenkiel, SP AF France, R. Ptak, A. J. Jiang, C. -S. Ahrenkiel, S. P. TI Control of asymmetric strain relaxation in InGaAs grown by molecular-beam epitaxy SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID QUANTUM-WELL LASERS; MISFIT DISLOCATIONS; SUBSTRATE MISORIENTATION; SURFACE-MORPHOLOGY; GAAS; HETEROSTRUCTURES; LAYERS; ANISOTROPY; FILMS; HETEROEPITAXY AB InGaAs strain relaxation is studied by an in situ multibeam optical stress sensor (MOSS). Strain relaxation during growth of InGaAs on GaAs occurs at different thicknesses and rates along the directions perpendicular to its misfit dislocations, [110] and [1 (1) over bar0]. We show the asymmetry of relaxation between these directions in real time by aligning the MOSS laser array along [110] and [1 (1) over bar0]. This asymmetric relaxation data from the MOSS correlates with both x-ray diffraction relaxation analysis and an estimation of the misfit dislocation density from transmission electron microscopy images. Lowering the V/III ratio or raising the growth temperature lowers the thickness of the onset of dislocation formation, changes the relaxation rate, lowers the final relaxation during 2 mu m of growth, and shifts the initial direction of relaxation from [110] to [1 (1) over bar0]. We identify two phases of relaxation that occur at different growth thicknesses. Lowering the V/III ratio changes the relative contribution of each of these phases to the total relaxation of the epilayer. (C)2010 American Institute of Physics. [doi:10.1063/1.3361533] C1 [France, R.; Ptak, A. J.; Jiang, C. -S.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ahrenkiel, S. P.] S Dakota Sch Mines & Technol, Nanosci & Nanoengn Dept, Rapid City, SD 57701 USA. RP France, R (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM ryan.france@nrel.gov RI jiang, chun-sheng/F-7839-2012 FU U.S. Department of Energy [DE-AC36-08-GO28308] FX The authors thank M. A. Steiner, J. F. Geisz, and W. E. McMahon for valuable conversations. This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 37 TC 9 Z9 10 U1 0 U2 16 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 MAY 15 PY 2010 VL 107 IS 10 AR 103530 DI 10.1063/1.3361533 PG 7 WC Physics, Applied SC Physics GA 603BH UT WOS:000278182400055 ER PT J AU Jordan, JL Dattelbaum, DM Sutherland, G Richards, DW Sheffield, SA Dick, RD AF Jordan, Jennifer L. Dattelbaum, Dana M. Sutherland, Gerrit Richards, D. Wayne Sheffield, Stephen A. Dick, Richard D. TI Shock equation of state of a multi-phase epoxy-based composite (Al-MnO2-epoxy) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PARTICULATE-LOADED MATERIALS; DYNAMICAL RESPONSE; ALUMINA PARTICLES; WAVE PROPAGATION; SIMULATION; MESOSCALE; MIXTURES; BEHAVIOR; SYSTEMS; MATRIX AB There are several studies in the literature regarding the equation of state of alumina-epoxy composites. Although these single component systems interact in a complex manner with shock waves, the addition of a second metal or ceramic particulate can result in even more complex interactions. This paper presents the shock equation of state results on a multi-phase composite Al-MnO2-epoxy. Equation of state experiments were conducted using three different loading techniques-single stage light gas gun, two stage light gas gun, and explosive loading-with multiple diagnostic techniques. The U-s-u(p) relationship is shown to be linear, with deviations from linearity at low, and possibly high, pressures due to the behavior of the epoxy binder. The experimental equation of state data is compared to volume averaged and mesoscale mixture models. (C) 2010 American Institute of Physics. [doi:10.1063/1.3357314] C1 [Jordan, Jennifer L.; Richards, D. Wayne] USAF, Munit Directorate, Res Lab RWMED, Eglin AFB, FL 32542 USA. [Dattelbaum, Dana M.; Sheffield, Stephen A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Sutherland, Gerrit] USN, Ctr Surface Warfare, Indian Head, MD 20640 USA. [Dick, Richard D.] Shocks Unltd, Albuquerque, NM USA. RP Jordan, JL (reprint author), USAF, Munit Directorate, Res Lab RWMED, Eglin AFB, FL 32542 USA. EM jennifer.jordan@eglin.af.mil FU AFRL/RWME FX The authors would like to acknowledge the help of several people and groups who assisted in the construction, setup, and implementation of the experiments-Mr. Mark Grimmonpre (AFRL), Mr. Ricky Beesley (AFRL) and Mr. Mark Johnson (AFRL), AFRL/RW Processing Section, Mr. Alan Zakarais (NSWC-IH), Mr. Grant Rogerson (NSWC-IH), and Mr. Andrew Fraser (NSWC-IH and Marquette University). Dr. John Borg and Mr. Andrew Fraser (Marquette University) provided helpful information regarding mesoscale modeling. The authors would also like to thank Dr. Jerry Forbes for useful insights and discussions. This research was sponsored by AFRL/RWME. Opinions, interpretations, conclusions, and recommendations are those of the authors and not necessarily endorsed by the United States Air Force. NR 40 TC 2 Z9 2 U1 2 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 15 PY 2010 VL 107 IS 10 AR 103528 DI 10.1063/1.3357314 PG 10 WC Physics, Applied SC Physics GA 603BH UT WOS:000278182400053 ER PT J AU Kim, J Hong, S Buhlmann, S Kim, Y Park, M Kim, YK No, K AF Kim, Jiyoon Hong, Seungbum Buehlmann, Simon Kim, Yunseok Park, Moonkyu Kim, Yong Kwan No, Kwangsoo TI Effect of deposition temperature of TiO2 on the piezoelectric property of PbTiO3 film grown by PbO gas phase reaction sputtering SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ATOMIC LAYER DEPOSITION; THIN-FILMS; MEMORY; NUCLEATION; MICROSCOPY AB A 17 nm thick PbTiO3 (PTO) films were fabricated via PbO gas phase reaction with TiO2 starting layer in a sputtering chamber. The influence of deposition temperature of TiO2 on the piezoelectric properties of PTO thin films was investigated. The remnant piezoresponse of PTO films nonlinearly increased as a function of TiO2 deposition temperature, which is correlated with the increase in average grain diameter of PTO film. As grain size increases, the restriction on remnant piezoresponse imposed by the grain boundary via coupling between local strain and polarization becomes less pronounced, which results in the increase in remnant piezoresponse. Furthermore, we found that the vertical shift in piezoresponse hysteresis loops is closely related to the residual stress state. A strong correlation between the negative vertical shift and the residual tensile stress reveals that residual stress on the resulting PTO film contributed to the asymmetric piezoelectric property. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3406148] C1 [Kim, Jiyoon; Kim, Yunseok; Park, Moonkyu; No, Kwangsoo] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. [Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Buehlmann, Simon] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Kim, Yong Kwan] Samsung Elect Co, Semicond R&D Ctr, Yongin 446711, South Korea. RP Kim, J (reprint author), Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. EM hong@anl.gov; ksno@kaist.ac.kr RI No, Kwangsoo/G-4891-2010; No, Kwangsoo/C-1983-2011; Hong, Seungbum/B-7708-2009 OI Hong, Seungbum/0000-0002-2667-1983 FU Ministry of Education, Science, and Technology [2009-0081946, KRF2008-314-D00172]; U.S. DOE Office of Science Laboratory [DE-AC02-06CH11357] FX This research was supported by Nano R&D program through the National Research Foundation of Korea funded by the Ministry of Education, Science, and Technology (Grant No. 2009-0081946) and Basic Science Research Program through the National Research Foundation (NRF) of Korea funded by the Ministry of Education, Science and Technology (Grant No. KRF2008-314-D00172). The submitted manuscript has been in part created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (Argonne). Argonne, a U.S. DOE Office of Science Laboratory, is operated under Contract No. DE-AC02-06CH11357. NR 29 TC 9 Z9 9 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 15 PY 2010 VL 107 IS 10 AR 104112 DI 10.1063/1.3406148 PG 5 WC Physics, Applied SC Physics GA 603BH UT WOS:000278182400129 ER PT J AU Stratakis, D Kishek, RA Haber, I Fiorito, RB Reiser, M O'Shea, PG AF Stratakis, D. Kishek, R. A. Haber, I. Fiorito, R. B. Reiser, M. O'Shea, P. G. TI Experimental verification of tomographic phase-space imaging for beams with space-charge using a pinhole-scan SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SIMULATIONS AB A model is described for tomographic phase-space mapping and emittance measurement in beams with space-charge. The tomographic results of an experiment with a 10 keV space-charge dominated electron beam are presented. The data are compared against a direct experimental sampling of the phase-space using a pinhole scan. It is found that the accuracy of the tomographic method is within 10% for beams with space-charge intensity less than 90%. With the aid of numerical simulation the observed similarities and differences between the tomography method and pinhole scan are discussed. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3392800] C1 [Stratakis, D.; Kishek, R. A.; Haber, I.; Fiorito, R. B.; Reiser, M.; O'Shea, P. G.] Univ Maryland, Inst Res Elect & Appl Phys, College Pk, MD 20742 USA. RP Stratakis, D (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM diktys@bnl.gov FU U.S. Department of Energy High Energy Physics and Fusion Energy Science; Department of Defense Office of Naval Research and Joint Technology Office FX We wish to acknowledge the assistance of S. Bernal on the set up of the experiment. Also thanks to B. Beaudoin and C. Papadopoulos for many helpful discussions. This work is supported by the U.S. Department of Energy High Energy Physics and Fusion Energy Science, and by the Department of Defense Office of Naval Research and Joint Technology Office. NR 34 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 15 PY 2010 VL 107 IS 10 AR 104905 DI 10.1063/1.3392800 PG 7 WC Physics, Applied SC Physics GA 603BH UT WOS:000278182400183 ER PT J AU Yang, K Clavero, C Skuza, JR Varela, M Lukaszew, RA AF Yang, K. Clavero, C. Skuza, J. R. Varela, M. Lukaszew, R. A. TI Surface plasmon resonance and magneto-optical enhancement on Au-Co nanocomposite thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPE AB We present our investigations on the enhancement of magneto-optical (MO) effects in nanocomposite Au-Co thin films. All the samples in this study were obtained by cosputter deposition varying the relative Au:Co composition and the growth temperature. A strong enhancement of the transverse MO activity is observed when surface plasmons are excited in the Kretschmann configuration. The correlation between the nanocomposite films' microstructure, morphology, composition, and their optical response under surface plasmon resonance excitation and their MO enhancement is discussed. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3428470] C1 [Yang, K.; Clavero, C.; Lukaszew, R. A.] Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. [Skuza, J. R.; Lukaszew, R. A.] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [Varela, M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Yang, K (reprint author), Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. EM kyang@email.wm.edu RI Varela, Maria/H-2648-2012; Skuza, Jonathan/E-9048-2010; Clavero, Cesar/C-4391-2008; Varela, Maria/E-2472-2014; Yang, Kaida/K-7916-2012 OI Skuza, Jonathan/0000-0002-9252-2708; Clavero, Cesar/0000-0001-6665-3141; Varela, Maria/0000-0002-6582-7004; Yang, Kaida/0000-0003-2018-2625 FU U.S. Department of Energy FX Research at ORNL (MV) supported by the Division of Materials Sciences and Engineering of the U.S. Department of Energy. The authors would like to thank Julia Luck for specimen preparation for STEM, and Masashi Watanabe for the plug-in for Principal Component Analysis in Digital Micrograph. NR 19 TC 18 Z9 18 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 15 PY 2010 VL 107 IS 10 AR 103924 DI 10.1063/1.3428470 PG 5 WC Physics, Applied SC Physics GA 603BH UT WOS:000278182400113 ER PT J AU Genetos, DC Toupadakis, CA Raheja, LF Wong, A Papanicolaou, SE Fyhrie, DP Loots, GG Yellowley, CE AF Genetos, Damian C. Toupadakis, Chrisoula A. Raheja, Leah F. Wong, Alice Papanicolaou, Savvas E. Fyhrie, David P. Loots, Gabriela G. Yellowley, Clare E. TI Hypoxia Decreases Sclerostin Expression and Increases Wnt Signaling in Osteoblasts SO JOURNAL OF CELLULAR BIOCHEMISTRY LA English DT Article DE SCLEROSTIN; Sost; HYPOXIA; OSTEOBLAST; BONE MORPHOGENETIC PROTEIN; Wnt ID VAN-BUCHEM-DISEASE; BONE MORPHOGENETIC PROTEINS; OSTEOGENIC DIFFERENTIATION; PARATHYROID-HORMONE; BMP ANTAGONIST; GENE; SOST; CELLS; MASS; DENSITY AB Mutations in sclerostin function or expression cause sclerosing bone dysplasias, involving decreased antagonism of Wnt/Lrp5 signaling. Conversely, deletion of the VHL tumor suppressor in osteoblasts, which stabilize HIF-alpha isoforms and thereby enables HIF-alpha/beta-driven gene transcription, increases bone mineral content and cross-sectional area compared to wild-type controls. We examined the influence of cellular hypoxia (1% oxygen) upon sclerostin expression and canonical Wnt signaling. Osteoblasts and osteocytes cultured under hypoxia revealed decreased sclerostin transcript and protein, and increased expression and nuclear localization of activated beta-catenin. Similarly, both hypoxia and the hypoxia mimetic DFO increased beta-catenin gene reporter activity. Hypoxia and its mimetics increased expression of the BMP antagonists gremlin and noggin and decreased Smad-1/5/8 phosphorylation. As a partial explanation for the mechanism of regulation of sclerostin by oxygen, MEF2 reporter assays revealed decreased activity. Modulation of VEGF signaling under normoxia or hypoxia revealed no influence upon Sost transcription. These data suggest that hypoxia inhibits sclerostin expression, through enhanced antagonism of BMP signaling independent of VEGF. J. Cell. Biochem. 110: 457-467, 2010. (C) 2010 Wiley-Liss, Inc. C1 [Genetos, Damian C.] Univ Calif Davis, Sch Vet Med, Dept Surg & Radiol Sci, Davis, CA 95616 USA. [Toupadakis, Chrisoula A.; Raheja, Leah F.; Wong, Alice; Yellowley, Clare E.] Univ Calif Davis, Sch Vet Med, Dept Anat Physiol & Cell Biol, Davis, CA 95616 USA. [Papanicolaou, Savvas E.; Fyhrie, David P.] Univ Calif Davis, Sch Med, Dept Orthopaed Surg, Sacramento, CA 95817 USA. [Loots, Gabriela G.] Lawrence Livermore Natl Lab, Life Sci Directorate, Biol & Biotechnol Div, Livermore, CA USA. RP Genetos, DC (reprint author), Univ Calif Davis, Sch Vet Med, Dept Surg & Radiol Sci, 2112 Tupper Hall, Davis, CA 95616 USA. EM dgenetos@ucdavis.edu RI Genetos, Damian/A-6480-2012; OI Genetos, Damian/0000-0002-8599-2867 FU NIA [R01 AG022305]; NIDDK [R01 DK075730]; Alliance for Better Bone Health; U.S. Department of Energy; Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors are grateful to Dr. Maria Schuller-Almeida (University of Arkansas) and to Dr. Teresita Bellido (Indiana University School of Medicine) for guidance with transient transfection of the TOPFlash plasmid, and to Dr. Norman Karin (Pacific Northwest National Laboratory) for helpful discussion. This work was supported by the NIA R01 AG022305 (CEY), NIDDK R01 DK075730 (GGL), an endowment to the David Linn Chair in Orthopaedic Surgery (DPF), and and a grant from the Alliance for Better Bone Health (DCG). Work by GGL performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 44 TC 46 Z9 57 U1 1 U2 7 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0730-2312 J9 J CELL BIOCHEM JI J. Cell. Biochem. PD MAY 15 PY 2010 VL 110 IS 2 BP 457 EP 467 DI 10.1002/jcb.22559 PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 593TD UT WOS:000277482700021 PM 20336693 ER PT J AU Hossain, A Bolotnikov, AE Camarda, GS Cui, Y Yang, G Kim, KH Gul, R Xu, L James, RB AF Hossain, A. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Yang, G. Kim, K-H. Gul, R. Xu, L. James, R. B. TI Extended defects in CdZnTe crystals: Effects on device performance SO JOURNAL OF CRYSTAL GROWTH LA English DT Article DE Defects; Etching; Semiconducting II-VI materials ID CADMIUM ZINC TELLURIDE; CDTE CRYSTALS; ETCH-PIT; GROWTH; DETECTORS AB We explored some unique defects in a batch of cadmium zinc telluride (CdZnTe) crystals, along with dislocations and Te-rich decorated features, revealed by chemical etching. We extensively investigated these distinctive imperfections in the crystals to identify their origin, dimensions, and distribution in the bulk material. We estimated that these features ranged from 50 to 500 mu m in diameter, and their depth was about 300 mu m. The density of these features ranged between 2 x 10(2) and 1 x 10(3) per cm(3). We elaborated a model of them and projected their effect on charge collection and spectral response. In addition, we fabricated detectors with these defective crystals and acquired fine details of charge-transport phenomena over the detectors' volume using a high-spatial resolution (25 mu m) X-ray response mapping technique. We related the results to better understand the defects and their influence on the charge-transport properties of the devices. The role of the defects was identified by correlating their signatures with the findings from our theoretical model and our experimental data. (C) 2010 Elsevier B.V. All rights reserved. C1 [Hossain, A.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Yang, G.; Kim, K-H.; Gul, R.; Xu, L.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Xu, L.] NW Polytech Univ, Xian 710072, Shaanxi, Peoples R China. RP Hossain, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hossain@bnl.gov RI Yang, Ge/G-1354-2011 FU U.S. Department of Energy, Office of Nonproliferation Research and Development [NA-22, DE-AC02-98CH1-886] FX This work was supported by U.S. Department of Energy, Office of Nonproliferation Research and Development, NA-22. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract no. DE-AC02-98CH1-886 with the U.S. Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges, a world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States Government purposes. NR 13 TC 16 Z9 17 U1 2 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD MAY 15 PY 2010 VL 312 IS 11 BP 1795 EP 1799 DI 10.1016/j.jcrysgro.2010.03.005 PG 5 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 602XT UT WOS:000278173100001 ER PT J AU Thaler, GT Koleske, DD Lee, SR Bogart, KHA Crawford, MH AF Thaler, G. T. Koleske, D. D. Lee, S. R. Bogart, K. H. A. Crawford, M. H. TI Thermal stability of thin InGaN films on GaN SO JOURNAL OF CRYSTAL GROWTH LA English DT Article DE Decomposition; Photoluminescence; X-ray diffraction; Metalorganic chemical vapor deposition; Nitrides; Light-emitting diodes ID LIGHT-EMITTING-DIODES; X-RAY-DIFFRACTION; QUANTUM-WELLS; GROWTH-RATE; P-GAN; LAYERS; INTERDIFFUSION; DECOMPOSITION; TEMPERATURE; PRESSURES AB The thermal stability of similar to 200-nm-thick InGaN thin films on GaN was investigated using isothermal and isochronal post-growth anneals. The In(x)Ga(1-x)N films (x = 0.08-0.18) were annealed in N(2) at 600-1000 degrees C for 15-60 min, and the resulting film degradation was monitored using X-ray diffraction (XRD) and photoluminescence (PL) measurements. As expected, films with higher indium concentration showed more evidence for decomposition than the samples with lower indium concentration. Also for each alloy composition, decreases in the PL intensity were observed starting at much lower temperatures compared to decreases in the XRD intensity. This difference in sensitivity of the PL and XRD techniques to the InGaN decomposition suggest that defects that quench luminescence are generated prior to the onset of structural decomposition. For the higher indium concentration films, the bulk decomposition proceeds by forming metallic indium and gallium regions as observed by XRD. For the 18% indium concentration film, measurement of the temperature-dependent InGaN decomposition yields an activation energy, E(A), of 0.87 +/- 0.07 eV, which is similar to the E(A) for bulk InN decomposition. The InGaN integrated XRD signal of the 18% film displays an exponential decrease vs. time, implying InGaN decomposition proceeds via a first-order reaction mechanism. Published by Elsevier B.V. C1 [Thaler, G. T.; Koleske, D. D.; Lee, S. R.; Bogart, K. H. A.; Crawford, M. H.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Koleske, DD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ddkoles@sandia.gov FU Division of Materials Science and Engineering, Office of Basic Energy Sciences, United States Department of Energy [DE-AC04-94AL85000] FX The authors thank J.J. Figiel and M.J. Russell for technical assistance. This work was supported by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, United States Department of Energy. 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 no. DE-AC04-94AL85000. NR 20 TC 19 Z9 19 U1 4 U2 55 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD MAY 15 PY 2010 VL 312 IS 11 BP 1817 EP 1822 DI 10.1016/j.jcrysgro.2010.03.008 PG 6 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 602XT UT WOS:000278173100005 ER PT J AU Fraser, BJ Grew, RS Morley, SK Green, JC Singer, HJ Loto'aniu, TM Thomsen, MF AF Fraser, B. J. Grew, R. S. Morley, S. K. Green, J. C. Singer, H. J. Loto'aniu, T. M. Thomsen, M. F. TI Storm time observations of electromagnetic ion cyclotron waves at geosynchronous orbit: GOES results SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID IONOSPHERIC ALFVEN RESONATOR; PITCH-ANGLE SCATTERING; PC 1 MICROPULSATIONS; RING CURRENT; GEOMAGNETIC STORMS; HYDROMAGNETIC EMISSIONS; PROTON PRECIPITATION; MAGNETIC PULSATIONS; SYNCHRONOUS ORBIT; SOURCE REGION AB Electromagnetic ion cyclotron (EMIC) waves may contribute to ring current ion and radiation belt electron losses, and theoretical studies suggest these processes may be most effective during the main phase of geomagnetic storms. However, ground-based signatures of EMIC waves, Pc1-Pc2 geomagnetic pulsations, are observed more frequently during the recovery phase. We investigate the association of EMIC waves with various storm phases in case and statistical studies of 22 geomagnetic storms over 1996-2003, with an associated Dst < -30 nT. High-resolution data from the GOES 8, 9, and 10 geosynchronous satellite magnetometers provide information on EMIC wave activity in the 0-1 Hz band over +/-3 days with respect to storm onset, defined as commencement of the negative excursion of Dst. Thirteen of 22 storms showed EMIC waves occurring during the main phase. In case studies of two storms, waves were seen with higher intensity in the main phase in one and the recovery phase in the other. Power spectral densities up to 500 nT(2) Hz(-1) were similar in prestorm, storm, and early recovery phases. Superposed epoch analysis of the 22 storms shows 78% of wave events during the main phase occurred in the He+ band. After storm onset the main phase contributed only 29% of events overall compared to 71% during recovery phase, up to 3 days. Some differences between storms were found to be dependent on the solar wind driver. Plasma plumes or an inflated plasmasphere may contribute to enhancing EMIC wave activity at geosynchronous orbit. C1 [Fraser, B. J.; Grew, R. S.; Morley, S. K.] Univ Newcastle, Ctr Space Phys, Callaghan, NSW 2308, Australia. [Morley, S. K.; Thomsen, M. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Green, J. C.; Singer, H. J.; Loto'aniu, T. M.] NOAA, Space Weather Predict Ctr, Boulder, CO 80305 USA. RP Fraser, BJ (reprint author), Univ Newcastle, Ctr Space Phys, Univ Dr, Callaghan, NSW 2308, Australia. RI Morley, Steven/A-8321-2008 OI Morley, Steven/0000-0001-8520-0199 FU Australian Research Council [DP0772504, DP0663643]; Linkage International grant [LX0882515] FX This research was supported by Australian Research Council Discovery Project grants DP0772504 and DP0663643 and Linkage International grant LX0882515. Infrastructure support has been provided by the University of Newcastle and the Space Weather Prediction Center, NOAA, Boulder, CO. Richard Thorne (UCLA) is thanked for useful discussions. NR 69 TC 53 Z9 53 U1 1 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD MAY 15 PY 2010 VL 115 AR A05208 DI 10.1029/2009JA014516 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 596TO UT WOS:000277708600002 ER PT J AU Fassbender, M Bach, H Kitten, J Nortier, FM Taylor, W AF Fassbender, M. Bach, H. Kitten, J. Nortier, F. M. Taylor, W. TI RADIOISOTOPE PRODUCTION AT THE LOS ALAMOS NATIONAL LABORATORY SO JOURNAL OF LABELLED COMPOUNDS & RADIOPHARMACEUTICALS LA English DT Meeting Abstract CT 10th International Symposium on Synthesis and Application of Isotopes and Isotopically Labelled Compounds CY JUN 14-18, 2009 CL Chicago, IL SP Int Isotope Soc, Soc Whole Body Autoradiog DE radioisotope production; 100 MeV protons; hot cells; strontium-82; sodium-22; radioarsenic; beryllium-7 C1 [Fassbender, M.; Bach, H.; Kitten, J.; Nortier, F. M.; Taylor, W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fassbender, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 6 TC 3 Z9 3 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0362-4803 J9 J LABELLED COMPD RAD JI J. Label. Compd. Radiopharm. PD MAY 15 PY 2010 VL 53 IS 5-6 SI SI BP 332 EP 335 PG 4 WC Biochemical Research Methods; Chemistry, Medicinal; Chemistry, Analytical SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Chemistry GA 618UM UT WOS:000279381200030 ER PT J AU Greene, JP Lister, CJ AF Greene, J. P. Lister, C. J. TI MANIPULATING ISOTOPES FOR USE IN ACCELERATOR PHYSICS EXPERIMENTS SO JOURNAL OF LABELLED COMPOUNDS & RADIOPHARMACEUTICALS LA English DT Meeting Abstract CT 10th International Symposium on Synthesis and Application of Isotopes and Isotopically Labelled Compounds CY JUN 14-18, 2009 CL Chicago, IL SP Int Isotope Soc, Soc Whole Body Autoradiog DE stable isotopes; foils and targets; accelerator physics ID TARGETS; GAMMASPHERE; SYSTEM C1 [Greene, J. P.; Lister, C. J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Greene, JP (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 16 TC 0 Z9 0 U1 1 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0362-4803 J9 J LABELLED COMPD RAD JI J. Label. Compd. Radiopharm. PD MAY 15 PY 2010 VL 53 IS 5-6 SI SI BP 335 EP 337 PG 3 WC Biochemical Research Methods; Chemistry, Medicinal; Chemistry, Analytical SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Chemistry GA 618UM UT WOS:000279381200031 ER PT J AU Demircan, O Zhang, W Xu, CC Zondlo, J Finklea, HO AF Demircan, Oktay Zhang, Wei Xu, Chunchuan Zondlo, John Finklea, Harry O. TI The effect of overpotential on performance degradation of the solid oxide fuel cell Ni/YSZ anode during exposure to syngas with phosphine contaminant SO JOURNAL OF POWER SOURCES LA English DT Article DE SOFC; Syngas; Phosphine; Degradation; Overpotential; Polarization resistance and ohmic resistance ID YTTRIA-STABILIZED ZIRCONIA; PHOTOELECTRON-SPECTROSCOPY; ELECTRODES; OXIDATION; BEHAVIOR; NICKEL AB Phosphine (PH(3)) as a contaminant in coal syngas has been shown to cause permanent degradation on solid oxide fuel cell (SOFC) anode performance. Previous studies on the performance degradation have been performed at constant current or constant voltage over the entire experiment. In this work, the effect of overpotential (difference between the open circuit voltage and the applied voltage) on rates of degradation of SOFC performance is examined. A commercial SOFC from MSRI is exposed in sequence to first hydrogen, then coal syngas and then coal syngas with 10 ppm PH(3). The rates of cell power density loss rates are monitored for three overpotentials (0.1, 0.2 and 0.3 V). There is no apparent correlation between the degradation rates and overpotential values. Post-mortem studies including SEM, XRD and XPS confirm the migration of nickel to the anode surface and the formation of a nickel phosphide phase. Published by Elsevier B.V. C1 [Demircan, Oktay; Zhang, Wei; Finklea, Harry O.] W Virginia Univ, C Eugene Bennett Dept Chem, Morgantown, WV 26506 USA. [Xu, Chunchuan; Zondlo, John] W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. [Finklea, Harry O.] US DOE, Natl Energy Technol Lab, Inst Adv Energy Studies, Morgantown, WV 26505 USA. RP Demircan, O (reprint author), W Virginia Univ, C Eugene Bennett Dept Chem, 217 Clark Hall Prospect St, Morgantown, WV 26506 USA. EM Oktay.Demircan@mail.wvu.edu FU US DOE-EPSCoR Program; NETL (National Energy Technology Laboratory); US DOE Office of Basic Energy Sciences; WV State EPSCoR Office and West Virginia University [DE-FG02-06ER46299] FX This project is sponsored by US DOE-EPSCoR Program. NETL (National Energy Technology Laboratory), US DOE Office of Basic Energy Sciences, WV State EPSCoR Office and West Virginia University provide the support to this study under the grant number of DE-FG02-06ER46299. In this project the DOE Technical Monitor is Dr. Tim Fitzsimmons, the Administrative Manager is Dr. Richard A. Bajura and the Technical Manager and Principal Investigator is Dr. Ismail Celik. The authors would like to express gratitude to Dr. Andy Woodworth for XPS data, Dr. Keith Morris for SEM data and Dr. Yun Chen for XRD data. NR 20 TC 11 Z9 11 U1 2 U2 21 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 MAY 15 PY 2010 VL 195 IS 10 SI SI BP 3091 EP 3096 DI 10.1016/j.jpowsour.2009.11.114 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 562SI UT WOS:000275074200007 ER PT J AU Tucker, MC Lau, GY Jacobson, CP Visco, SJ De Jonghe, LC AF Tucker, Michael C. Lau, Grace Y. Jacobson, Craig P. Visco, Steven J. De Jonghe, Lutgard C. TI Cu-YSZ cermet solid oxide fuel cell anode prepared by high-temperature sintering SO JOURNAL OF POWER SOURCES LA English DT Article DE SOFC; YSZ; Cermet; Copper ID METAL-SUPPORTED SOFCS; DIRECT OXIDATION; HYDROCARBONS; ZIRCONIA; CERIA; NI AB Porous YSZ-Cu alloy cermet structures are prepared by sintering above the metal melting point in reducing atmosphere. Unexpectedly good wetting of the molten metal within the YSZ network is obtained, resulting in cermets with fine structure and excellent electronic conductivity. Anode-supported solid oxide fuel cells are prepared with YSZ-Cu alloy cermet as the anode. Addition of infiltrated ceria catalyst improved the initial performance. Maximum power density of about 275 mA cm(-2) and operation for about 110 h was achieved in the 700-800 degrees C range. After operation, AC impedance revealed that the high-frequency impedance was unchanged, whereas the low-frequency impedance increased. It was concluded that the Cu alloy network conductivity remains high, but catalyst stability needs improvement. (C) 2009 Elsevier B.V. All rights reserved. C1 [Tucker, Michael C.; Lau, Grace Y.; Jacobson, Craig P.; Visco, Steven J.; De Jonghe, Lutgard C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Tucker, MC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, 1 Cyclotron Rd,MS 62-203, Berkeley, CA 94720 USA. EM mctucker@lbl.gov FU U.S. Department of Energy [DE-AC02-05CH11231] FX The authors gratefully acknowledge the assistance of Tal Sholklapper for providing FIB cross section images and James Wu for vacuum brazing. This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 14 TC 19 Z9 20 U1 4 U2 21 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 MAY 15 PY 2010 VL 195 IS 10 SI SI BP 3119 EP 3123 DI 10.1016/j.jpowsour.2009.12.003 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 562SI UT WOS:000275074200011 ER PT J AU Au, M McWhorter, S Ajo, H Adams, T Zhao, YP Gibbs, J AF Au, Ming McWhorter, Scott Ajo, Henry Adams, Thad Zhao, Yiping Gibbs, John TI Free standing aluminum nanostructures as anodes for Li-ion rechargeable batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Battery; Lithium; Nanostructure; Aluminum; Anode ID SECONDARY BATTERIES; PARTICLES; COMPOSITE; ELECTRODE AB The free standing aluminum nanorods were grown on electrode and evaluated electrochemically as the anodes in the half-cell of Li-ion battery. The average diameter and length of the nanorods are 80 nm and 200 nm, respectively. The aligned nanorods demonstrated high capacity of 1243 mAh g(-1) at rate of 0.5 C. A gradual decrease of the initial capacity was observed. The characterization of the anodes shows that the changes of the crystalline structure and morphology during cycling may be responsible for the capacity decay. The appropriate selection of the substrate can overcome the problems and lead the sustainable high capacity. (C) 2009 Elsevier B.V. All rights reserved. C1 [Au, Ming; McWhorter, Scott; Ajo, Henry; Adams, Thad] Savannah River Natl Lab, Aiken, SC 29808 USA. [Zhao, Yiping; Gibbs, John] Univ Georgia, Athens, GA 30602 USA. RP Au, M (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM ming.au@srnl.doe.gov RI Zhao, Yiping/A-4968-2008 FU Savannah River National Laboratory LDRD program FX This work is financially supported by Savannah River National Laboratory LDRD program. Savannah River National Laboratory is operated by Savannah River Nuclear Solution for US Department of Energy under contract DE-AC0908SR22470. NR 12 TC 33 Z9 33 U1 7 U2 51 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 MAY 15 PY 2010 VL 195 IS 10 SI SI BP 3333 EP 3337 DI 10.1016/j.jpowsour.2009.11.102 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 562SI UT WOS:000275074200041 ER PT J AU Fukushima, K Kharzeev, DE Warringa, HJ AF Fukushima, Kenji Kharzeev, Dmitri E. Warringa, Harmen J. TI Electric-current susceptibility and the Chiral Magnetic Effect SO NUCLEAR PHYSICS A LA English DT Article DE Quark-gluon plasma; Axial anomaly; Strong magnetic field; Charge asymmetry ID HEAVY-ION COLLISIONS; WEINBERG-SALAM THEORY; HIGH-ENERGY; REAL-TIME; SPHALERON TRANSITIONS; SYMMETRY BREAKING; PARITY VIOLATION; FINITE BARYON; CP VIOLATION; SIGMA-MODEL AB We compute the electric-current susceptibility chi of hot quark-gluon matter in an external magnetic field B. The difference between the susceptibilities measured in the directions parallel and perpendicular to the magnetic field is ultraviolet-finite and given by chi(parallel to) - chi(perpendicular to) = V T N-c Sigma(f) q(f)(2) vertical bar q(f) B vertical bar/(2 pi(2)), where V denotes the volume, T the temperature, N-c the number of colors, and q(f). the charge of a quark of flavor f. This non-zero susceptibility difference acts as a background to the Chiral Magnetic Effect. i.e. the generation of electric current along the direction of magnetic field in the presence of topological charge. We propose a description of the Chiral Magnetic Effect that takes into account the fluctuations of electric current quantified by the susceptibility. We find that our results are in agreement with recent lattice QCD calculations. Our approach can be used to model the azimuthal dependence of charge correlations observed in heavy ion collisions. (C) 2010 Elsevier B.V. All rights reserved. C1 [Fukushima, Kenji] Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto, Japan. [Kharzeev, Dmitri E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Warringa, Harmen J.] Goethe Univ Frankfurt, Inst Theoret Phys, D-60438 Frankfurt, Germany. RP Fukushima, K (reprint author), Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto, Japan. EM fuku@yukawa.kyoto-u.ac.jp OI Fukushima, Kenji/0000-0003-0899-740X NR 93 TC 59 Z9 59 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD MAY 15 PY 2010 VL 836 IS 3-4 BP 311 EP 336 DI 10.1016/j.nuclphysa.2010.02.003 PG 26 WC Physics, Nuclear SC Physics GA 582IX UT WOS:000276591700007 ER PT J AU Decker, M Zhao, R Soukoulis, CM Linden, S Wegener, M AF Decker, M. Zhao, R. Soukoulis, C. M. Linden, S. Wegener, M. TI Twisted split-ring-resonator photonic metamaterial with huge optical activity SO OPTICS LETTERS LA English DT Article AB Coupled split-ring-resonator metamaterials have previously been shown to exhibit large coupling effects, which are a prerequisite for obtaining large effective optical activity. By a suitable lateral arrangement of these building blocks, we completely eliminate linear birefringence and obtain pure optical activity and connected circular optical dichroism. Experiments around a 100 THz frequency and corresponding modeling are in good agreement. Rotation angles of about 30 for 205 nm sample thickness are derived. (C) 2010 Optical Society of America C1 [Decker, M.; Linden, S.; Wegener, M.] KIT, Inst Angew Phys, D-76128 Karlsruhe, Germany. [Decker, M.; Linden, S.; Wegener, M.] KIT, DFG Ctr Funct Nanostruct CFN, D-76128 Karlsruhe, Germany. [Decker, M.; Linden, S.; Wegener, M.] KIT, Inst Nanotechnol, D-76021 Karlsruhe, Germany. [Zhao, R.] Beijing Normal Univ, Dept Phys, Appl Opt Beijing Area Major Lab, Beijing 100875, Peoples R China. [Zhao, R.; Soukoulis, C. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Zhao, R.; Soukoulis, C. M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Soukoulis, C. M.] Univ Crete, Dept Mat Sci & Technol, Iraklion 71110, Greece. [Soukoulis, C. M.] Univ Crete, IESL FORTH, Iraklion 71110, Greece. RP Decker, M (reprint author), KIT, Inst Angew Phys, D-76128 Karlsruhe, Germany. EM manuel.decker@physik.uni-karlsruhe.de RI Zhao, Rongkuo/B-5731-2008; Soukoulis, Costas/A-5295-2008; Wegener, Martin/S-5456-2016; OI Decker, Manuel/0000-0002-9125-0851 FU European Commission; Bundesministerium fur Bildung und Forschung; Helmholtz-Hochschul-Nachwuchsgruppe [VH-NG-232]; Department of Energy (Basic Energy Sciences) [DE-AC02-07CH11358] FX We acknowledge support by the European Commission via the project PHOME and by the Bundesministerium fur Bildung und Forschung via the project METAMAT. The research of S. L. is supported through a Helmholtz-Hochschul-Nachwuchsgruppe (VH-NG-232). The PhD education of M. D. is embedded in the Karlsruhe School of Optics & Photonics (KSOP). Work at Ames Lab was supported by the Department of Energy (Basic Energy Sciences), contract no. DE-AC02-07CH11358. NR 16 TC 165 Z9 168 U1 5 U2 78 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD MAY 15 PY 2010 VL 35 IS 10 BP 1593 EP 1595 PG 3 WC Optics SC Optics GA 597QI UT WOS:000277773400034 PM 20479819 ER PT J AU Analytis, JG Chu, JH Chen, YL Corredor, F McDonald, RD Shen, ZX Fisher, IR AF Analytis, James G. Chu, Jiun-Haw Chen, Yulin Corredor, Felipe McDonald, Ross D. Shen, Z. X. Fisher, Ian R. TI Bulk Fermi surface coexistence with Dirac surface state in Bi2Se3: A comparison of photoemission and Shubnikov-de Haas measurements SO PHYSICAL REVIEW B LA English DT Article ID TOPOLOGICAL INSULATOR; MAGNETIC-FIELDS; BI2TE3 AB Shubnikov-de Haas (SdH) oscillations and angle-resolved photoemission spectroscopy (ARPES) are used to probe the Fermi surface of single crystals of Bi2Se3. We find that SdH and ARPES probes quantitatively agree on measurements of the effective mass and bulk band dispersion. In high carrier density samples, the two probes also agree in the exact position of the Fermi level E-F, but for lower carrier density samples discrepancies emerge in the position of E-F. In particular, SdH reveals a bulk three-dimensional Fermi surface for samples with carrier densities as low as 10(17) cm(-3). We suggest a simple mechanism to explain these differences and discuss consequences for existing and future transport studies of topological insulators. C1 [Analytis, James G.; Chu, Jiun-Haw; Chen, Yulin; Corredor, Felipe; Shen, Z. X.; Fisher, Ian R.] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Analytis, James G.; Chu, Jiun-Haw; Chen, Yulin; Corredor, Felipe; Shen, Z. X.; Fisher, Ian R.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Analytis, James G.; Chu, Jiun-Haw; Chen, Yulin; Corredor, Felipe; Shen, Z. X.; Fisher, Ian R.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [McDonald, Ross D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Analytis, JG (reprint author), Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. RI Chen, Yulin/C-1918-2012; McDonald, Ross/H-3783-2013; OI McDonald, Ross/0000-0002-0188-1087; Mcdonald, Ross/0000-0002-5819-4739 FU U.S. DOE, Office of Basic Energy Sciences [DE-AC02-76SF00515] FX We would like to thank D. Goldhaber-Gordon, J. R. Williams, X. Qi, S.-C. Zhang, K. Lai, J. Koralek, J. Orenstein, and T. Geballe for useful discussions. Work was supported by the U.S. DOE, Office of Basic Energy Sciences, under Contract No. DE-AC02-76SF00515. NR 22 TC 249 Z9 251 U1 13 U2 142 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205407 DI 10.1103/PhysRevB.81.205407 PG 5 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500083 ER PT J AU Atanasov, V Saxena, A AF Atanasov, Victor Saxena, Avadh TI Tuning the electronic properties of corrugated graphene: Confinement, curvature, and band-gap opening SO PHYSICAL REVIEW B LA English DT Article ID QUANTUM-MECHANICS; MEMBRANES; SURFACES; CARBON AB It is shown that for monolayer graphene electrons are confined on a perfect two-dimensional surface. The implications for the electronic properties of corrugated graphene are discussed in view of a derivation of the constrained relativistic dynamics for the massless carriers in two dimensions in accord with the Heisenberg uncertainty principle. Surface curvature is related to a series of phenomena with practical applications such as curvature induced p-n junctions, band-gap opening, and decoherence. We also establish a bending free energy by treating graphene as a soft electronic membrane. C1 [Atanasov, Victor] Inst Telecomunicacoes, SQIG, P-1049001 Lisbon, Portugal. [Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Saxena, Avadh] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Atanasov, V (reprint author), Inst Telecomunicacoes, SQIG, Av Rovisco Pais, P-1049001 Lisbon, Portugal. OI Atanasov, Victor/0000-0001-6587-409X FU U.S. Department of Energy; IT-QuantTel; Fundacao para a Ciencia e a Tecnologia (Portugal); FEDER (European Union) [PTDC/EEA-TEL/103402/2008 QuantPrivTel] FX We acknowledge initial discussions with Y. N. Joglekar. This work was supported in part by the U.S. Department of Energy and in part by project IT-QuantTel, as well as from Fundacao para a Ciencia e a Tecnologia (Portugal) and FEDER (European Union), namely, via project PTDC/EEA-TEL/103402/2008 QuantPrivTel. NR 46 TC 28 Z9 28 U1 3 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205409 DI 10.1103/PhysRevB.81.205409 PG 8 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500085 ER PT J AU Bradley, JA Sen Gupta, S Seidler, GT Moore, KT Haverkort, MW Sawatzky, GA Conradson, SD Clark, DL Kozimor, SA Boland, KS AF Bradley, J. A. Sen Gupta, S. Seidler, G. T. Moore, K. T. Haverkort, M. W. Sawatzky, G. A. Conradson, S. D. Clark, D. L. Kozimor, S. A. Boland, K. S. TI Probing electronic correlations in actinide materials using multipolar transitions SO PHYSICAL REVIEW B LA English DT Article ID RAY; SPECTROSCOPY; LANTHANIDE; COVALENCY; DENSITY; SYSTEMS; METALS; STATES AB We report nonresonant inelastic x-ray scattering from the semicore 5d levels of several actinide compounds. Dipole-forbidden, high-multipole features form a rich bound-state spectrum dependent on valence electron configuration and spin-orbit and Coulomb interactions. Cross-material comparisons, together with the anomalously high Coulomb screening required for agreement between atomic-multiplet theory and experiment, demonstrate sensitivity to the neighboring electronic environment, such as is needed to address longstanding questions of electronic localization and bonding in 5f compounds. C1 [Bradley, J. A.; Seidler, G. T.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Bradley, J. A.; Conradson, S. D.; Clark, D. L.; Kozimor, S. A.; Boland, K. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Sen Gupta, S.; Sawatzky, G. A.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Moore, K. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Haverkort, M. W.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. RP Bradley, JA (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM seidler@uw.edu RI Haverkort, Maurits W./D-2319-2009; Sawatzky, George/D-2997-2012; Clark, David/A-9729-2011; Seidler, Gerald/I-6974-2012 OI Haverkort, Maurits W./0000-0002-7216-3146; FU U.S. Department of Energy; Natural Sciences and Engineering Research Council (NSERC) of Canada; University of Washington; Simon Fraser University; Canada Foundation for Innovation; Canada Institute for Advanced Research FX This work was supported by the U.S. Department of Energy and the Natural Sciences and Engineering Research Council (NSERC) of Canada. Measurements at the Advanced Photon Source (APS) are supported by the U.S. Department of Energy, NSERC of Canada, the University of Washington, Simon Fraser University, and the APS. S.S.G. and G.A.S. acknowledge funding from the Natural Sciences and Engineering Research Council (NSERC) of Canada, the Canada Foundation for Innovation, and the Canada Institute for Advanced Research. NR 29 TC 24 Z9 24 U1 1 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 193104 DI 10.1103/PhysRevB.81.193104 PG 4 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000004 ER PT J AU Chantis, AN Christensen, NE Svane, A Cardona, M AF Chantis, Athanasios N. Christensen, Niels E. Svane, Axel Cardona, Manuel TI Full-zone analysis of relativistic spin splitting at band anticrossings: The case of zinc-blende semiconductors SO PHYSICAL REVIEW B LA English DT Article ID INVERSION-ASYMMETRY; CONDUCTION-BAND; INSB; GAAS; ORIENTATION; WURTZITE AB We show that the band spin splitting caused by spin-orbit interaction in crystal structures with no inversion symmetry is strongly influenced by band anticrossing. The splitting is always enhanced for one of the anticrossing bands and suppressed for the other. There are two limiting cases. In the first, the spin splitting is completely suppressed for one of the bands and doubled for the other. In the second, the absolute value of the splitting is markedly enhanced for both bands approaching the magnitude of the hybridization gap. We demonstrate these effects in zinc-blende semiconductors with the help of first-principles GW calculations. C1 [Chantis, Athanasios N.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Christensen, Niels E.; Svane, Axel] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Cardona, Manuel] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany. RP Chantis, AN (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Schaff, William/B-5839-2009; OI Chantis, Athanasios/0000-0001-7933-0579 FU DOE Office of Basic Energy Sciences [08SCPE973] FX The work at Los Alamos National Laboratory was supported by DOE Office of Basic Energy Sciences Work Proposal No. 08SCPE973. NR 49 TC 8 Z9 8 U1 0 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205205 DI 10.1103/PhysRevB.81.205205 PG 9 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500043 ER PT J AU Erhart, P Aberg, D Lordi, V AF Erhart, Paul Aberg, Daniel Lordi, Vincenzo TI Extrinsic point defects in aluminum antimonide SO PHYSICAL REVIEW B LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; DOPED ALSB; BASIS-SET; SEMICONDUCTORS; IMPURITIES; DETECTORS; METALS; GAAS AB We investigate thermodynamic and electronic properties of group IV (C, Si, Ge, Sn) and group VI (O, S, Se, Te) impurities as well as P and H in aluminum antimonide (AlSb) using first-principles calculations. To this end, we compute the formation energies of a broad range of possible defect configurations including defect complexes with the most important intrinsic defects. We also obtain relative carrier scattering strengths for these defects to determine their impact on charge carrier mobility. Furthermore, we employ a self-consistent charge equilibration scheme to determine the net charge carrier concentrations for different temperatures and impurity concentrations. Thereby, we are able to study the effect of impurities incorporated during growth and identify optimal processing conditions for achieving compensated material. The key findings are summarized as follows. Among the group IV elements, C, Si, and Ge substitute for Sb and act as shallow acceptors, while Sn can substitute for either Sb or Al and displays amphoteric character. Among the group VI elements, S, Se, and Te substitute for Sb and act as deep donors. In contrast, O is most likely to be incorporated as an interstitial and predominantly acts as an acceptor. As a group V element, P substitutes for Sb and is electrically inactive. C and O are the most detrimental impurities to carrier transport, while Sn, Se, and Te have a modest to low impact. Therefore, Te can be used to compensate C and O impurities, which are unintentionally incorporated during the growth process, with minimal effect on the carrier mobilities. C1 [Erhart, Paul; Aberg, Daniel; Lordi, Vincenzo] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Erhart, P (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM erhart1@llnl.gov; lordi2@llnl.gov RI Erhart, Paul/G-6260-2011; OI Erhart, Paul/0000-0002-2516-6061; Aberg, Daniel/0000-0003-4364-9419; Lordi, Vincenzo/0000-0003-2415-4656 FU U.S. Department of Energy [DE-AC52-07NA27344]; National Nuclear Security Administration Office of Nonproliferation Research and Development [NA-22]; Laboratory Directed Research and Development Program FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 with support from the Laboratory Directed Research and Development Program and from the National Nuclear Security Administration Office of Nonproliferation Research and Development (NA-22). NR 33 TC 10 Z9 10 U1 2 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195216 DI 10.1103/PhysRevB.81.195216 PG 12 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000068 ER PT J AU Essin, AM Turner, AM Moore, JE Vanderbilt, D AF Essin, Andrew M. Turner, Ari M. Moore, Joel E. Vanderbilt, David TI Orbital magnetoelectric coupling in band insulators SO PHYSICAL REVIEW B LA English DT Article ID DENSITY-MATRIX; WANNIER FUNCTIONS; POLARIZATION; INVARIANCE; ELECTRON; CRYSTALS; FIELD AB Magnetoelectric responses are a fundamental characteristic of materials that break time-reversal and inversion symmetries (notably multiferroics) and, remarkably, of "topological insulators" in which those symmetries are unbroken. Previous work has shown how to compute spin and lattice contributions to the magnetoelectric tensor. Here we solve the problem of orbital contributions by computing the frozen-lattice electronic polarization induced by a magnetic field. One part of this response (the "Chern-Simons term") can appear even in time-reversal-symmetric materials and has been previously shown to be quantized in topological insulators. In general materials there are additional orbital contributions to all parts of the magnetoelectric tensor; these vanish in topological insulators by symmetry and also vanish in several simplified models without time reversal and inversion whose magnetoelectric couplings were studied before. We give two derivations of the response formula, one based on a uniform magnetic field and one based on extrapolation of a long-wavelength magnetic field, and discuss some of the consequences of this formula. C1 [Essin, Andrew M.; Turner, Ari M.; Moore, Joel E.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Moore, Joel E.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Vanderbilt, David] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Essin, AM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Moore, Joel/O-4959-2016; OI Moore, Joel/0000-0002-4294-5761; Vanderbilt, David/0000-0002-2465-9091 FU Western Institute of Nanoelectronics; DARPA OLE; NSF [DMR-0804413, DMR-0549198] FX The authors gratefully acknowledge useful discussions with S. Coh, A. Malashevich, and I. Souza. The work was supported by the Western Institute of Nanoelectronics (A. M. E.), DARPA OLE (A. M. T.), NSF under Grant No. DMR-0804413 (J.E.M.), and NSF under Grant No. DMR-0549198 (D. V.) NR 33 TC 67 Z9 67 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205104 DI 10.1103/PhysRevB.81.205104 PG 13 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500019 ER PT J AU Faleev, SV Mryasov, ON Mattsson, TR AF Faleev, Sergey V. Mryasov, Oleg N. Mattsson, Thomas R. TI Quasiparticle self-consistent GW calculation of the work functions of Al(111), Al(100), and Al(110) SO PHYSICAL REVIEW B LA English DT Article ID SURFACE-STATES; ELECTRON-GAS; ALUMINUM; METALS AB Modifications to the quasiparticle self-consistent GW (QSGW) method needed to correctly describe metal/vacuum interfaces and other systems having extended regions with small electron density are identified and implemented. The method's accuracy is investigated by calculating work functions for the Al(111), Al(100), and Al(110) surfaces. We find that the results for work function do not depend on the density functional theory functional employed to calculate the starting Hamiltonian and that QSGW yield results in quantitative agreement with data from ultrahigh vacuum experiments. C1 [Faleev, Sergey V.; Mryasov, Oleg N.] Univ Alabama, MINT Ctr, Tuscaloosa, AL 35487 USA. [Mattsson, Thomas R.] Sandia Natl Labs, HEDP Theory, Albuquerque, NM 87185 USA. RP Faleev, SV (reprint author), Univ Alabama, MINT Ctr, POB 870209, Tuscaloosa, AL 35487 USA. EM sfaleev@mint.ua.edu RI Mattsson, Thomas/B-6057-2009 FU Science of Extreme Environments LDRD Investment Area at Sandia National Laboratories; United States Department of Energy [DE-AC04-94-AL85000] FX We thank Mark van Schilfgaarde for helpful discussions. This work was supported by the Science of Extreme Environments LDRD Investment Area 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 No. DE-AC04-94-AL85000. O.M. and S. F. acknowledge the CNMS User support by Oak Ridge National Laboratory Division of Scientific User facilities, Office of Basic Energy Sciences, U.S. Department of Energy. NR 45 TC 6 Z9 6 U1 0 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205436 DI 10.1103/PhysRevB.81.205436 PG 7 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500112 ER PT J AU Feygenson, M Yiu, Y Kou, A Kim, KS Aronson, MC AF Feygenson, Mikhail Yiu, Yuen Kou, Angela Kim, Ki-Sub Aronson, Meigan C. TI Controlling the exchange bias field in Co core/CoO shell nanoparticles SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC NANOPARTICLES; THICKNESS DEPENDENCE; NEUTRON-SCATTERING; ANISOTROPY; BILAYERS; CO/COO; NANOSTRUCTURES; PARTICLES; FILMS; SAXS AB We have determined how the anomalous exchange bias effect in Co/CoO nanoparticles of 11 nm in diameter depends on the Co core and CoO shell dimensions. The oxidation of the Co nanoparticles used in this study is carefully controlled, yielding highly crystalline and oriented interfaces. The dimensions of the core and shell are determined from magnetization and small angle x-ray scattering measurements. The exchange bias field in Co/CoO core-shell nanoparticles depends nonmonotonically on the CoO shell thickness, reaching a maximum value of approximate to 7 kOe at 30 K when the core and shell dimensions are similar. We propose that lattice strain induces a net moment at the core-shell interface, and it is the variation of this moment with strain, which is responsible for the vanishing of H-EB at both large and small Co shell thicknesses. C1 [Feygenson, Mikhail; Yiu, Yuen; Kou, Angela; Aronson, Meigan C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Kim, Ki-Sub] Chungju Natl Univ, Dept Chem & Biol Engn, Chungju 380702, Chungbuk, South Korea. [Aronson, Meigan C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Feygenson, M (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM maronson@bnl.gov RI Feygenson, Mikhail /H-9972-2014; Yiu, Yuen/A-4353-2010 OI Feygenson, Mikhail /0000-0002-0316-3265; Yiu, Yuen/0000-0002-1466-6191 FU U.S. Department of Energy, Office of Basic Energy Sciences at Brookhaven National Laboratory [DE-AC02-98CH1886]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX We are grateful to L. Yang for helping with the SAXS experiments. We also acknowledge S. Kline for helping with the SAXS data analysis. This work was carried out under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences at Brookhaven National Laboratory under Contract No. DE-AC02-98CH1886. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 56 TC 45 Z9 45 U1 2 U2 32 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195445 DI 10.1103/PhysRevB.81.195445 PG 7 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000134 ER PT J AU Gao, XL Tao, JM Vignale, G Tokatly, IV AF Gao, Xianlong Tao, Jianmin Vignale, G. Tokatly, I. V. TI Continuum mechanics for quantum many-body systems: Linear response regime SO PHYSICAL REVIEW B LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ELECTRON-GAS; HYDRODYNAMICS; EXCITATIONS; EXPLOSION AB We derive a closed equation of motion for the current density of an inhomogeneous quantum many-body system under the assumption that the time-dependent wave function can be described as a geometric deformation of the ground-state wave function. By describing the many-body system in terms of a single collective field we provide an alternative to traditional approaches, which emphasize one-particle orbitals. We refer to our approach as continuum mechanics for quantum many-body systems. In the linear response regime, the equation of motion for the displacement field becomes a linear fourth-order integrodifferential equation, whose only inputs are the one-particle density matrix and the pair-correlation function of the ground state. The complexity of this equation remains essentially unchanged as the number of particles increases. We show that our equation of motion is a Hermitian eigenvalue problem, which admits a complete set of orthonormal eigenfunctions under a scalar product that involves the ground-state density. Further, we show that the excitation energies derived from this approach satisfy a sum rule which guarantees the exactness of the integrated spectral strength. Our formulation becomes exact for systems consisting of a single particle and for any many-body system in the high-frequency limit. The theory is illustrated by explicit calculations for simple one-and two-particle systems. C1 [Gao, Xianlong] Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Zhejiang, Peoples R China. [Tao, Jianmin] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Tao, Jianmin] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Vignale, G.] Univ Missouri, Dept Phys, Columbia, MO 65211 USA. [Tokatly, I. V.] Basque Fdn Sci, IKERBASQUE, E-48011 Bilbao, Spain. [Tokatly, I. V.] Univ Basque Country, ETSF Sci Dev Ctr, Dept Fis Mat, Ctr Fis Mat,CSIC UPV EHU MPC, E-20018 San Sebastian, Spain. RP Gao, XL (reprint author), Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Zhejiang, Peoples R China. RI Tokatly, Ilya/D-9554-2011; CSIC-UPV/EHU, CFM/F-4867-2012; Xianlong, Gao/K-8744-2012 OI Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163 FU DOE [DE-FG02-05ER46203, DE-AC52-06NA25396]; IKERBASQUE Foundation; NSF of China [10704066, 10974181]; Spanish MEC [FIS2007-65702-C02-01]; "Grupos Consolidados UPV/EHU del Gobierno Vasco" [IT-319-07]; European Community [211956] FX This work was supported by DOE under Grant Nos. DE-FG02-05ER46203 (G.V.) and DE-AC52-06NA25396 (J.T.) and by the IKERBASQUE Foundation. G. X. was supported by NSF of China under Grant Nos. 10704066 and 10974181. I. V. T. acknowledges funding by the Spanish MEC (Grant No. FIS2007-65702-C02-01), "Grupos Consolidados UPV/EHU del Gobierno Vasco" (Grant No. IT-319-07), and the European Community through e-I3 ETSF project (Contract No. 211956). G. V. gratefully acknowledges the kind hospitality of the ETSF in San Sebastian where this work was completed. We thank Stefano Pittalis for his help in calculating and plotting the curves shown in Fig. 1 and Paola Gori-Giorgi for kindly providing the code for calculating the structure factor of the electron gas. NR 49 TC 11 Z9 11 U1 2 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195106 DI 10.1103/PhysRevB.81.195106 PG 22 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000029 ER PT J AU Khatami, E Mikelsons, K Galanakis, D Macridin, A Moreno, J Scalettar, RT Jarrell, M AF Khatami, E. Mikelsons, K. Galanakis, D. Macridin, A. Moreno, J. Scalettar, R. T. Jarrell, M. TI Quantum criticality due to incipient phase separation in the two-dimensional Hubbard model SO PHYSICAL REVIEW B LA English DT Article ID T-C SUPERCONDUCTOR; MONTE-CARLO METHOD; ELECTRON-SYSTEMS; CRITICAL-POINT; BEHAVIOR AB We investigate the two-dimensional Hubbard model with next-nearest-neighbor hopping, t', using the dynamical cluster approximation. We confirm the existence of a first-order phase-separation transition terminating at a second-order critical point at filling n(c)(t') and temperature T(ps)(t'). We find that as t' approaches zero, T(ps)(t) vanishes and n(c)(t') approaches the filling associated with the quantum critical point separating the Fermi liquid from the pseudogap phase. We propose that the quantum critical point under the superconducting dome is the zero-temperature limit of the line of second-order critical points. C1 [Khatami, E.; Mikelsons, K.; Galanakis, D.; Moreno, J.; Jarrell, M.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Khatami, E.; Mikelsons, K.] Univ Cincinnati, Dept Phys, Cincinnati, OH 45221 USA. [Macridin, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Scalettar, R. T.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Khatami, E (reprint author), Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. RI Moreno, Juana/D-5882-2012; Khatami, Ehsan/G-9565-2012; Mikelsons, Karlis/C-9147-2015 OI Mikelsons, Karlis/0000-0003-2540-0687 FU NSF [DMR-0706379]; NSF PIRE [OISE-0730290]; DOE SciDAC [DE-FC02-06ER25792]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725] FX We would like to thank P. Phillips, S. Kivelson, C. Varma, and J. Zaanen for useful conversations. This research was supported by NSF under Grant No. DMR-0706379. J. M. and M. J. are supported by the NSF PIRE under Project No. OISE-0730290. M. J. and R. T. S. are also supported by DOE SciDAC under Project No. DE-FC02-06ER25792. This research used resources of the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 36 TC 25 Z9 25 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 201101 DI 10.1103/PhysRevB.81.201101 PG 4 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500001 ER PT J AU Kim, YJ Hill, JP Yamaguchi, H Gog, T Casa, D AF Kim, Young-June Hill, J. P. Yamaguchi, H. Gog, T. Casa, D. TI Resonant inelastic x-ray scattering study of the electronic structure of Cu2O SO PHYSICAL REVIEW B LA English DT Article ID NEAR-EDGE STRUCTURE; ABSORPTION SPECTRA; OPTICAL-PROPERTIES; ENERGY-BANDS; CUO; CUPRITE; COPPER; OXIDE AB A resonant inelastic x-ray scattering study of the electronic structure of the semiconductor cuprous oxide, Cu2O, is reported. When the incident x-ray energy is tuned to the Cu K-absorption edge, large enhancements of the spectral features corresponding to the electronic transitions between the valence band and the conduction band are observed. A feature at 6.5 eV can be well described by an interband transition from occupied states of mostly Cu 3d character to unoccupied states with mixed 3d, 4s, and O 2p character. In addition, an insulating band gap is observed, and the momentum dependence of the lower bound is measured along the Gamma-R direction. This is found to be in good agreement with the valence-band dispersion measured with angle-resolved photoemission spectroscopy. C1 [Kim, Young-June] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Hill, J. P.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Yamaguchi, H.] Akita Prefectural Univ, Dept Elect & Informat Syst, Honjo, Akita 0150055, Japan. [Gog, T.; Casa, D.] Argonne Natl Lab, Adv Photon Source, XOR, Argonne, IL 60439 USA. RP Kim, YJ (reprint author), Univ Toronto, Dept Phys, 60 St George St, Toronto, ON M5S 1A7, Canada. EM yjkim@physics.utoronto.ca RI Hill, John/F-6549-2011; Kim, Young-June /G-7196-2011; Casa, Diego/F-9060-2016 OI Kim, Young-June /0000-0002-1172-8895; FU Natural Sciences and Engineering Research Council of Canada; U.S. DOE, Office of Science [DE-AC02-98CH10886]; U.S. DOE, Office of Science, Office of Basic Energy Sciences [W-31-109-ENG-38] FX We would like to thank J. van den Brink, W. Ku, and M. van Veenendaal for invaluable discussions. We also thank H. Gretarsson for the help with Fig. 2. The work at University of Toronto was supported by Natural Sciences and Engineering Research Council of Canada. The work at Brookhaven was supported by the U.S. DOE, Office of Science Contract No. DE-AC02-98CH10886. Use of the Advanced Photon Source was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. W-31-109-ENG-38. NR 39 TC 6 Z9 6 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195202 DI 10.1103/PhysRevB.81.195202 PG 6 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000054 ER PT J AU Lany, S Zunger, A AF Lany, Stephan Zunger, Alex TI Generalized Koopmans density functional calculations reveal the deep acceptor state of N-O in ZnO SO PHYSICAL REVIEW B LA English DT Article ID P-TYPE ZNO; AUGMENTED-WAVE METHOD; ENERGY; OXIDE AB Applying a generalized Koopmans condition to recover the linear behavior of the energy with respect to the fractional occupation number, we find that substitutional nitrogen (N-O) in ZnO is a deep acceptor with an ionization energy of 1.6 eV, which is prohibitively large for p-type conductivity. Testing the generalized Koopmans condition in computationally more demanding hybrid-functional calculations, we obtain a very similar result for N-O, but find that the simultaneous correction of defect (acceptor-level) and host (band-gap) properties remains challenging in hybrid methods. The deep character of anion-site acceptors in ZnO has important consequences for the concept of codoping, as we show that nominally charge-compensated impurity pairs such as (N-O-Ga-Zn) or (C-O-Ti-Zn) have positively charged states in the gap that act as hole traps. C1 [Lany, Stephan; Zunger, Alex] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Lany, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Zunger, Alex/A-6733-2013; OI Lany, Stephan/0000-0002-8127-8885 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC36-08GO28308] FX This work was funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, under Contract No. DE-AC36-08GO28308 to NREL. The use of MPP capabilities at the National Energy Research Scientific Computing Center is gratefully acknowledged. NR 41 TC 84 Z9 85 U1 2 U2 50 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205209 DI 10.1103/PhysRevB.81.205209 PG 5 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500047 ER PT J AU Lee, GD Wang, CZ Yoon, E Hwang, NM Ho, KM AF Lee, Gun-Do Wang, C. Z. Yoon, Euijoon Hwang, Nong-Moon Ho, K. M. TI Reconstruction and evaporation at graphene nanoribbon edges SO PHYSICAL REVIEW B LA English DT Article ID DYNAMICS AB The reconstruction and evaporation at graphene nanoribbon (GNR) edges are investigated by tight-binding molecular-dynamics simulations and ab initio calculations. It is observed that reconstruction through the formation of pentagon-heptagon pairs can take place quickly along the zigzag edge and it is energetically favorable. At very high temperatures, the armchair edge is found to change into a zigzag edge structure, which further accelerates the evaporation of carbon atoms and leads to the formation of carbon linear chains. The evaporation of carbon atoms from both the zigzag and armchair edges is preceded by the formation of heptagon rings, which serve as a gateway for carbon atoms to escape. In the simulation for a GNR armchair-zigzag-armchair junction, carbon atoms are evaporated row by row from the outermost row of the zigzag edge while the armchair edge remains nearly intact. These results can be applied to nanoelectronic devices fabrication through the temperature-controlled edge structure of GNR. C1 [Lee, Gun-Do; Yoon, Euijoon; Hwang, Nong-Moon] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151742, South Korea. [Wang, C. Z.; Ho, K. M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Wang, C. Z.; Ho, K. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Yoon, Euijoon] Seoul Natl Univ, Grad Sch Convergence Sci & Technol, Dept Nano Sci & Technol, Suwon 433270, South Korea. [Yoon, Euijoon] Seoul Natl Univ, Dept Mat Sci & Engn, WCU Hybrid Mat Program, Seoul 151742, South Korea. [Hwang, Nong-Moon] Seoul Natl Univ, Natl Res Lab Charged Nanoparticles, Seoul 151742, South Korea. RP Lee, GD (reprint author), Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151742, South Korea. RI Lee, Gun-Do/L-1259-2013 OI Lee, Gun-Do/0000-0001-8328-8625 FU KISTI; Ministry of Education, Science and Technology [2008-313-C00219, 2010-0001833, M10600000159-06J0000-15910, R31-2008-000-10075-0]; U.S. Department of Energy, Basic Energy Sciences [DE-AC02-07CH11358] FX The authors acknowledge support from KISTI under the Strategic Supercomputing Applications Support Program. This research was supported by the Basic Science Research Program (Grants No. 2008-313-C00219 and No. 2010-0001833) and the National Research Laboratory Program (Grant No. M10600000159-06J0000-15910), and by World Class University program (R31-2008-000-10075-0) through the National Research Foundation (NRF) of Korea funded by the Ministry of Education, Science and Technology. Work at Ames Laboratory was supported by the U.S. Department of Energy, Basic Energy Sciences, including a grant of computer time at the National Energy Research Supercomputing Center (NERSC) in Berkeley, under Contract No. DE-AC02-07CH11358. NR 26 TC 43 Z9 44 U1 1 U2 24 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195419 DI 10.1103/PhysRevB.81.195419 PG 5 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000108 ER PT J AU Li, XG Zhang, ZY Xiao, D AF Li, Xiaoguang Zhang, Zhenyu Xiao, Di TI Pseudospin valve in bilayer graphene nanoribbons SO PHYSICAL REVIEW B LA English DT Article ID MINIMAL CONDUCTIVITY; BALLISTIC TRANSPORT; ELECTRON-TRANSPORT; SUSPENDED GRAPHENE; BERRYS PHASE; EDGE; CONDUCTANCE; CHANNEL; RIBBONS; SINGLE AB We study the pseudospin valve effect in bilayer graphene nanoribbons using the recursive Green's function method. The pseudospin degree of freedom is associated with the electron density in two layers and can be controlled by external gate electrodes. We find that the conductance of nanoribbons shows different behavior compared to infinite systems due to the appearance of edge states and quantum confinement. Remarkably, a large on-off ratio can be achieved in nanoribbons with zigzag edges, even when the Fermi energy lies in the bulk energy gap. The influence of possible edge vacancies and interface conditions is also discussed. C1 [Li, Xiaoguang; Zhang, Zhenyu] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Zhang, Zhenyu; Xiao, Di] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhang, Zhenyu] Univ Sci & Technol China, ICQD, Hefei 230026, Anhui, Peoples R China. RP Li, XG (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RI Xiao, Di/B-1830-2008; Li, Xiaoguang/F-5135-2010 OI Xiao, Di/0000-0003-0165-6848; FU Division of Materials Science and Engineering, Office of Basic Energy Sciences, Department of Energy; NSF [DMR-0906025] FX We thank Yuanbo Zhang, Kirk Bevan, Tony Low, Zhengfei Wang, Shaoping Lu, and Tongcang Li for useful discussions. This work was supported by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, Department of Energy, and in part by NSF (Grant No. DMR-0906025). NR 62 TC 10 Z9 10 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195402 DI 10.1103/PhysRevB.81.195402 PG 6 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000091 ER PT J AU Manjon, FJ Gomis, O Rodriguez-Hernandez, P Perez-Gonzalez, E Munoz, A Errandonea, D Ruiz-Fuertes, J Segura, A Fuentes-Cabrera, M Tiginyanu, IM Ursaki, VV AF Manjon, F. J. Gomis, O. Rodriguez-Hernandez, P. Perez-Gonzalez, E. Munoz, A. Errandonea, D. Ruiz-Fuertes, J. Segura, A. Fuentes-Cabrera, M. Tiginyanu, I. M. Ursaki, V. V. TI Nonlinear pressure dependence of the direct band gap in adamantine ordered-vacancy compounds SO PHYSICAL REVIEW B LA English DT Article ID OPTICAL-PROPERTIES; SINGLE-CRYSTALS; X-RAY; II-VI; SEMICONDUCTORS; CDGA2SE4; BETA-GA2SE3 AB A strong nonlinear pressure dependence of the optical absorption edge has been measured in defect chalcopyrites CdGa(2)Se(4) and HgGa(2)Se(4). The behavior is due to the nonlinear pressure dependence of the direct band-gap energy in these compounds as confirmed by ab initio calculations. Our calculations for CdGa(2)Se(4), HgGa(2)Se(4) and monoclinic beta-Ga(2)Se(3) provide evidence that the nonlinear pressure dependence of the direct band-gap energy is a general feature of adamantine ordered-vacancy compounds irrespective of their composition and crystalline structure. The nonlinear behavior is due to a conduction band anticrossing at the Gamma point of the Brillouin zone caused by the presence of ordered vacancies in the unit cell of these tetrahedrally coordinated compounds. C1 [Manjon, F. J.] Univ Politecn Valencia, MALTA Consolider Team, Inst Diseno Fabricac & Prod Automatizada, Valencia 46022, Spain. [Gomis, O.] Univ Politecn Valencia, MALTA Consolider Team, Ctr Tecnol Fis Acust Mat & Astrofis, Valencia 46022, Spain. [Rodriguez-Hernandez, P.; Perez-Gonzalez, E.; Munoz, A.] Univ La Laguna, MALTA Consolider Team, Inst Mat & Nanotecnol, Dept Fis Fundamental 2, Tenerife 38205, Spain. [Errandonea, D.] Univ Valencia, MALTA Consolider Team, Fdn Gen, E-46100 Burjassot, Spain. [Ruiz-Fuertes, J.; Segura, A.] Univ Valencia, MALTA Consolider Team, Dept Fis Aplicada, ICMUV, E-46100 Burjassot, Spain. [Fuentes-Cabrera, M.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Tiginyanu, I. M.; Ursaki, V. V.] Moldavian Acad Sci, Inst Phys Appl, Kishinev 2028, Moldova. RP Manjon, FJ (reprint author), Univ Politecn Valencia, MALTA Consolider Team, Inst Diseno Fabricac & Prod Automatizada, Valencia 46022, Spain. EM fjmanjon@fis.upv.es RI Segura, Alfredo/K-5103-2012; Munoz, Alfonso/K-7823-2013; Gomis, Oscar/B-6146-2015; Fuentes-Cabrera, Miguel/Q-2437-2015; Manjon Herrera, Francisco Javier/B-5789-2016; Errandonea, Daniel/J-7695-2016; Rodriguez-Hernandez, Placida/E-8218-2017 OI Segura, Alfredo/0000-0002-9979-1302; Munoz, Alfonso/0000-0003-3347-6518; Gomis, Oscar/0000-0001-6763-0638; Fuentes-Cabrera, Miguel/0000-0001-7912-7079; Manjon Herrera, Francisco Javier/0000-0002-3926-1705; Errandonea, Daniel/0000-0003-0189-4221; Rodriguez-Hernandez, Placida/0000-0002-4148-6516 FU Generalitat Valenciana [GV06/151]; Spanish MEC [MAT2007-65990-C03-01/03, MAT2006-02279]; MALTA Consolider [CSD2007-00045]; Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia [UPV2008-0020, UPV2010-0096]; Scientific User Facilities Division, Office of BES, U.S. DOE FX Study supported by the Generalitat Valenciana (Grant No. GV06/151), the Spanish MEC (Grants No. MAT2007-65990-C03-01/03 and No. MAT2006-02279), MALTA Consolider (CSD2007-00045), and the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (Grants No. UPV2008-0020 and No. UPV2010-0096). Part of the research performed at ORNL's Center for Nanophase Materials Sciences was sponsored by the Scientific User Facilities Division, Office of BES, U.S. DOE. NR 23 TC 16 Z9 16 U1 2 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195201 DI 10.1103/PhysRevB.81.195201 PG 7 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000053 ER PT J AU Morozovska, AN Eliseev, EA Svechnikov, SV Krutov, AD Shur, VY Borisevich, AY Maksymovych, P Kalinin, SV AF Morozovska, A. N. Eliseev, E. A. Svechnikov, S. V. Krutov, A. D. Shur, V. Y. Borisevich, A. Y. Maksymovych, P. Kalinin, S. V. TI Finite size and intrinsic field effect on the polar-active properties of ferroelectric-semiconductor heterostructures SO PHYSICAL REVIEW B LA English DT Article ID THIN-FILMS; INTERFACE; POLARIZATION; TRANSITION; INSULATOR; SRTIO3; DIODE AB Using Landau-Ginzburg-Devonshire approach we calculated the equilibrium distributions of electric field, polarization, and space charge in the ferroelectric-semiconductor heterostructures containing proper or incipient ferroelectric thin films. The role of the polarization gradient and intrinsic surface energy, interface dipoles, and free charges on polarization dynamics are specifically explored. The intrinsic field effects, which originated at the ferroelectric-semiconductor interface, lead to the surface band bending and result into the formation of depletion space-charge layer near the semiconductor surface. During the local polarization reversal (caused by the electric field of the nanosized tip of the scanning probe microscope) the thickness and charge of the interface layer drastically changes, in particular, the sign of the screening carriers is determined by the polarization direction. Obtained analytical solutions could be extended to analyze polarization-mediated electronic transport. C1 [Morozovska, A. N.; Eliseev, E. A.; Svechnikov, S. V.; Krutov, A. D.] Natl Acad Sci Ukraine, Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Eliseev, E. A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. [Krutov, A. D.] Taras Shevchenko Natl Univ Kyiv, UA-01033 Kiev, Ukraine. [Shur, V. Y.] Ural State Univ, Inst Phys & Appl Math, Ekaterinburg 620083, Russia. [Borisevich, A. Y.; Maksymovych, P.; Kalinin, S. V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Morozovska, AN (reprint author), Natl Acad Sci Ukraine, Inst Semicond Phys, UA-03028 Kiev, Ukraine. EM morozo@i.com.ua; sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012; Borisevich, Albina/B-1624-2009; Maksymovych, Petro/C-3922-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Borisevich, Albina/0000-0002-3953-8460; Maksymovych, Petro/0000-0003-0822-8459 FU Ministry of Science and Education of Ukraine; National Science Foundation [DMR-0908718]; DOE SISGR; Division of Scientific User Facilities, US DOE FX Authors are grateful to E. Tsymbal and E. Tsymbal for valuable critical remarks. Research is sponsored by Ministry of Science and Education of Ukraine and National Science Foundation (Materials World Network, Grant No. DMR-0908718). S.V.K. and A.B. acknowledge the DOE SISGR program. P.M. is supported by the Division of Scientific User Facilities, US DOE. NR 45 TC 32 Z9 32 U1 0 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205308 DI 10.1103/PhysRevB.81.205308 PG 15 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500060 ER PT J AU Prodi, A Helton, JS Feng, YJ Lee, YS AF Prodi, A. Helton, J. S. Feng, Yejun Lee, Y. S. TI Pressure-induced spin-Peierls to incommensurate charge-density-wave transition in the ground state of TiOCl SO PHYSICAL REVIEW B LA English DT Article ID COMPOUND CUGEO3; SYSTEM CUGEO3; PHASE-DIAGRAM AB The ground state of the spin-Peierls system TiOCl was probed using synchrotron x-ray diffraction on a single-crystal sample at T = 6 K. We tracked the evolution of the structural superlattice peaks associated with the dimerized ground state as a function of pressure. The dimerization along the b axis is rapidly suppressed in the vicinity of a first-order structural phase transition at P-C = 13.1(1) GPa. The high-pressure phase is characterized by an incommensurate charge-density wave perpendicular to the original spin-chain direction. These results show that the electronic ground state undergoes a fundamental change in symmetry, indicating a significant change in the principal interactions. C1 [Prodi, A.; Helton, J. S.; Lee, Y. S.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Prodi, A.] MIT, Ctr Mat Sci & Engn, Cambridge, MA 02139 USA. [Feng, Yejun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Prodi, A (reprint author), MIT, Dept Phys, Cambridge, MA 02139 USA. RI Helton, Joel/B-1798-2010; Feng, Yejun/A-5417-2009 OI Feng, Yejun/0000-0003-3667-056X FU Department of Energy (DOE) [DE-FG02-07ER46134, DE-AC02-06CH11357]; NSF [DMR-0454672] FX We thank F. C. Chou, S. H. Shim, E. T. Abel and D. B. McWhan for fruitful discussions. The work at MIT was supported by the Department of Energy (DOE) under Grant No. DE-FG02-07ER46134. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the DOE under Contract No. DE-AC02-06CH11357. This work used facilities supported in part by the NSF under Agreement No. DMR-0454672. NR 28 TC 3 Z9 3 U1 3 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 201103 DI 10.1103/PhysRevB.81.201103 PG 4 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500003 ER PT J AU Schmeltzer, D Saxena, A AF Schmeltzer, D. Saxena, Avadh TI Wave function in the presence of constraints: Persistent current in coupled rings SO PHYSICAL REVIEW B LA English DT Article AB Using a method introduced earlier, we compute the wave function in the presence of constraints. As an explicit example we compute the wave function for the many electrons problem in coupled metallic rings in the presence of external magnetic fluxes. For equal fluxes and an even number of electrons the constraints enforce a wave function with a vanishing total momentum and a large persistent current and magnetization in contrast to the odd number of electrons where at finite temperatures the current is suppressed. We propose that the even-odd property can be verified by measuring the magnetization as a function of a varying gate voltage coupled to the rings. By reversing the flux in one of the rings the current and magnetization vanish in both rings; this can be potentially used as a nonlocal control device. C1 [Schmeltzer, D.] CUNY City Coll, Dept Phys, New York, NY 10031 USA. [Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Schmeltzer, D (reprint author), CUNY City Coll, Dept Phys, New York, NY 10031 USA. NR 13 TC 1 Z9 1 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195310 DI 10.1103/PhysRevB.81.195310 PG 10 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000079 ER PT J AU Singh, DJ AF Singh, David J. TI Doping-dependent thermopower of PbTe from Boltzmann transport calculations SO PHYSICAL REVIEW B LA English DT Article ID N-TYPE PBTE; THERMOELECTRIC PROPERTIES; SEEBECK COEFFICIENT; LEAD CHALCOGENIDES; CURRENT CARRIERS; SCATTERING; MERIT; ENHANCEMENT; TEMPERATURE; TELLURIDE AB The thermopower of PbTe as a function of temperature and doping level is reported based on Boltzmann transport calculations using the first principles relativistic electronic structure as obtained with the Engel-Vosko generalized gradient approximation. The results are discussed in relation to experimental data. For p-type material there is an enhancement at high-doping levels due to the onset of an increased density of states starting similar to 0.2 eV below the valence band edge. This leads to agreement between the calculated thermopower and recent results on PbTe with heavy Tl doping. C1 Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Singh, DJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RI Singh, David/I-2416-2012 FU U.S. Department of Energy, Office of Vehicle Technologies; S3TEC Energy Frontier Research Center FX This research was sponsored by the U.S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, as part of the Propulsion Materials Program (transport calculations) and the S3TEC Energy Frontier Research Center (data analysis). NR 42 TC 135 Z9 135 U1 6 U2 71 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195217 DI 10.1103/PhysRevB.81.195217 PG 6 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000069 ER PT J AU Stone, PR Dreher, L Beeman, JW Yu, KM Brandt, MS Dubon, OD AF Stone, P. R. Dreher, L. Beeman, J. W. Yu, K. M. Brandt, M. S. Dubon, O. D. TI Interplay of epitaxial strain and perpendicular magnetic anisotropy in insulating ferromagnetic Ga1-xMnxP1-yNy SO PHYSICAL REVIEW B LA English DT Article ID ION-IMPLANTATION; SEMICONDUCTORS; MN; SUBSTITUTION; (GA,MN)AS; GAAS AB We demonstrate a direct connection between the magnetic easy axis in Mn-doped GaP and epitaxial strain by a combined ferromagnetic resonance, x-ray diffraction and superconducting quantum interference device magnetometry study. The magnetic easy axis of Ga1-xMnxP is gradually rotated from the in-plane [0 (1) over bar1] direction toward the film normal [100] through alloying with isovalent N which changes the strain state of the film from compressive to tensile. For a nearly lattice-matched film the strain-related component to the out-of-plane uniaxial anisotropy field is close to zero. Both in-plane and out-of-plane magnetization reversal processes are explored by a simple model that considers the combination of coherent spin rotation and noncoherent spin switching. We use our results to estimate domain-wall sizes and energetics, which have yet to be directly measured in this materials system. The band structure and electrical properties of Ga1-xMnxP imply that holes localized within a Mn-derived impurity band are capable of mediating the same anisotropic exchange interactions as the itinerant carriers in the canonical Ga1-xMnxAs system. C1 [Stone, P. R.; Dubon, O. D.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Stone, P. R.; Beeman, J. W.; Yu, K. M.; Dubon, O. D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Dreher, L.; Brandt, M. S.] Tech Univ Munich, Walter Schottky Inst, D-85748 Garching, Germany. RP Stone, PR (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM prstone@berkeley.edu RI Yu, Kin Man/J-1399-2012; Brandt, Martin/C-5151-2017 OI Yu, Kin Man/0000-0003-1350-9642; FU Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy [DE-AC02-05CH11231]; Deutsche Forschungsgemeinschaft [SFB 631]; Bavaria California Technology Center; NSF; NDSEG FX Materials synthesis, x-ray diffraction and SQUID magnetometry experiments at Lawrence Berkeley National Laboratory were supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The FMR work at the Walter Schottky Institut was supported by Deutsche Forschungsgemeinschaft through SFB 631 and the Bavaria California Technology Center. The authors thank R. V. Chopdekar for experimental assistance and C. Bihler, Y. Suzuki, and M. E. Flatte for fruitful discussions. P. R. S. acknowledges support from NSF and NDSEG. NR 53 TC 6 Z9 6 U1 0 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 20 AR 205210 DI 10.1103/PhysRevB.81.205210 PG 10 WC Physics, Condensed Matter SC Physics GA 602MX UT WOS:000278144500048 ER PT J AU Tan, LZ Park, CH Louie, SG AF Tan, Liang Zheng Park, Cheol-Hwan Louie, Steven G. TI Graphene Dirac fermions in one-dimensional inhomogeneous field profiles: Transforming magnetic to electric field SO PHYSICAL REVIEW B LA English DT Article ID CARBON NANOTUBES; 2-DIMENSIONAL ELECTRONS; SUPERLATTICES; GAS AB We show that the low-energy electronic structure of graphene under a one-dimensional inhomogeneous magnetic field can be mapped into that of graphene under an electric field or vice versa. As a direct application of this transformation, we find that the carrier velocity in graphene is isotropically reduced under magnetic fields periodic along one direction with zero average flux. This counterintuitive renormalization has its origin in the pseudospin nature of graphene electronic states and is robust against disorder. In magnetic graphene superlattices with a finite average flux, the Landau level bandwidth at high fields exhibits an unconventional behavior of decreasing with increasing strength of the average magnetic field due to the linear energy dispersion of graphene. As another application of our transformation relation, we show that the transmission probabilities of an electron through a magnetic barrier in graphene can directly be obtained from those through an electrostatic barrier or vice versa. C1 [Tan, Liang Zheng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Tan, LZ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM sglouie@berkeley.edu RI Park, Cheol-Hwan/A-1543-2009; OI Park, Cheol-Hwan/0000-0003-1584-6896; Tan, Liang Z/0000-0003-4724-6369 FU NSF [DMR07-05941]; UC Berkeley Endowment Fund Foundation for Graduate Education; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Division, U.S. Department of Energy [DE-AC02-05CH11231]; Office of Naval Research MURI [N00014-09-1066] FX We thank Dmitry Novikov for fruitful discussions. L.Z.T. and analytic theory studies were supported by NSF Grant No. DMR07-05941 as well as the UC Berkeley Endowment Fund Foundation for Graduate Education. Numerical simulations were supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Division, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. C.-H.P. was supported by Office of Naval Research MURI Grant No. N00014-09-1066. Computational resources have been provided by NERSC and TeraGrid. NR 38 TC 50 Z9 51 U1 1 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195426 DI 10.1103/PhysRevB.81.195426 PG 8 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000115 ER PT J AU Willers, T Hu, Z Hollmann, N Korner, PO Gegner, J Burnus, T Fujiwara, H Tanaka, A Schmitz, D Hsieh, HH Lin, HJ Chen, CT Bauer, ED Sarrao, JL Goremychkin, E Koza, M Tjeng, LH Severing, A AF Willers, T. Hu, Z. Hollmann, N. Koerner, P. O. Gegner, J. Burnus, T. Fujiwara, H. Tanaka, A. Schmitz, D. Hsieh, H. H. Lin, H. -J. Chen, C. T. Bauer, E. D. Sarrao, J. L. Goremychkin, E. Koza, M. Tjeng, L. H. Severing, A. TI Crystal-field and Kondo-scale investigations of CeMIn5 (M=Co, Ir, and Rh): A combined x-ray absorption and inelastic neutron scattering study SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC EXCITATIONS; SUPERCONDUCTIVITY; CEPD2SI2; CEAU2SI2; CERHIN5; CEIRIN5; SPIN AB Linear-polarized soft-x-ray absorption (XAS) and inelastic neutron scattering (INS) experiments have been performed on CeMIn5 with M=Rh, Ir, and Co to determine the crystal-field scheme and characteristic Kondo temperatures T* for the hybridization between 4f and conduction electrons. The ground-state wave functions are determined from the polarization-dependent soft-XAS data at the cerium M-4,M-5 edge and the crystal-field splittings from INS. The characteristic temperature T* has been determined from the line widths of the neutron scattering data. We find that the quasielastic linewidths of the superconducting compounds CeCoIn5 and CeIrIn5 are comparable with the low-energy crystal-field splitting. C1 [Willers, T.; Hu, Z.; Hollmann, N.; Koerner, P. O.; Gegner, J.; Burnus, T.; Fujiwara, H.; Tjeng, L. H.; Severing, A.] Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany. [Hu, Z.; Tjeng, L. H.] Max Planck Inst CPfS, D-01187 Dresden, Germany. [Tanaka, A.] ADSM Hiroshima Univ, Dept Quantum Matter, Higashihiroshima 7398530, Japan. [Schmitz, D.] BESSY II, Helmholtz Zentrum Berlin, D-12489 Berlin, Germany. [Hsieh, H. H.] Natl Def Univ, Chung Cheng Inst Technol, Tao Yuan 335, Taiwan. [Lin, H. -J.; Chen, C. T.] NSRRC, Hsinchu 30077, Taiwan. [Bauer, E. D.; Sarrao, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Goremychkin, E.] Rutherford Appleton Lab, ISIS, Didcot OX11 0QX, Oxon, England. [Koza, M.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. RP Willers, T (reprint author), Univ Cologne, Inst Phys 2, Zulpicher Str 77, D-50937 Cologne, Germany. RI Hu, Zhiwei/B-8635-2008; Burnus, Tobias/A-8376-2008; Bauer, Eric/D-7212-2011; OI Burnus, Tobias/0000-0002-3206-2797; Bauer, Eric/0000-0003-0017-1937 FU BMBF [05 ES3XBA/5] FX The experiments at BESSY were supported by the BMBF under Project No. 05 ES3XBA/5. We thank L. Hamdan and the Cologne Mechanical Workshop for skillful technical support. The wave-function density plots and transition-matrix elements were calculated using the CrystalFieldTheory package for MATHEMATICA written by M. W. Haverkort. NR 43 TC 43 Z9 43 U1 1 U2 45 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195114 DI 10.1103/PhysRevB.81.195114 PG 10 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000037 ER PT J AU Yazyev, OV Louie, SG AF Yazyev, Oleg V. Louie, Steven G. TI Topological defects in graphene: Dislocations and grain boundaries SO PHYSICAL REVIEW B LA English DT Article ID ELASTIC PROPERTIES; AB-INITIO; GRAPHITE; CARBON; NANORIBBONS; MEMBRANES; ORDER; STM; DNA AB Topological defects in graphene, dislocations and grain boundaries, are still not well understood despite the considerable number of experimental observations. We introduce a general approach for constructing dislocations in graphene characterized by arbitrary Burgers vectors as well as grain boundaries, covering the whole range of possible misorientation angles. By using ab initio calculations we investigate thermodynamic and electronic properties of these topological defects, finding energetically favorable symmetric large-angle grain boundaries, strong tendency toward out-of-plane deformation in the small-angle regimes, and pronounced effects on the electronic structure. The present results show that dislocations and grain boundaries are important intrinsic defects in graphene which may be used for engineering graphene-based nanomaterials and functional devices. C1 [Yazyev, Oleg V.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Yazyev, OV (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Yazyev, Oleg/A-4073-2008 OI Yazyev, Oleg/0000-0001-7281-3199 FU National Science Foundation [DMR07-05941]; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Division, (U.S.) Department of Energy [DE-AC02-05CH11231]; Swiss National Science Foundation [PBELP2-123086] FX We are grateful to Y.-W. Son and D. Strubbe for their suggestions. This work was supported by National Science Foundation Grant No. DMR07-05941 and by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Division, (U.S.) Department of Energy under Contract No. DE-AC02-05CH11231. The energetics and structural parameters were determined using theoretical techniques and computer codes supported by NSF and the simulations of electronic and STM behaviors were carried out under the auspices of BES support. O.V.Y. acknowledges financial support of the Swiss National Science Foundation (Grant No. PBELP2-123086). Computational resources have been provided by NERSC and TeraGrid. NR 42 TC 327 Z9 330 U1 15 U2 207 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 195420 DI 10.1103/PhysRevB.81.195420 PG 7 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000109 ER PT J AU Zhang, LJ Singh, DJ AF Zhang, Lijun Singh, D. J. TI Electronic structure of CsFe2Sb2 and its alloy with cobalt: A magnetic compound related to the iron superconductors SO PHYSICAL REVIEW B LA English DT Article ID FE AB Properties of ThCr2Si2-structure CsFe2Sb2 and its alloy with Co are investigated using first principles calculations. CsFe2Sb2 is an antiferromagnetic metal at the density functional level. The electronic structure is closely related to the Fe-based superconductors. Results are discussed in relation to the Fe-based superconductors. C1 [Zhang, Lijun; Singh, D. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Zhang, LJ (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RI Zhang, Lijun/F-7710-2011; Singh, David/I-2416-2012 FU Department of Energy, Division of Materials Sciences and Engineering FX We are grateful for helpful discussions with C. Felser, D. Mandrus, M. McGuire, B. C. Sales, and A. S. Sefat. This work was supported by the Department of Energy, Division of Materials Sciences and Engineering. NR 27 TC 2 Z9 2 U1 2 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD MAY 15 PY 2010 VL 81 IS 19 AR 193102 DI 10.1103/PhysRevB.81.193102 PG 4 WC Physics, Condensed Matter SC Physics GA 602LZ UT WOS:000278142000002 ER PT J AU Cirigliano, V Lee, C Ramsey-Musolf, MJ Tulin, S AF Cirigliano, Vincenzo Lee, Christopher Ramsey-Musolf, Michael J. Tulin, Sean TI Flavored quantum Boltzmann equations SO PHYSICAL REVIEW D LA English DT Article ID ELECTROWEAK PHASE-TRANSITION; CP-VIOLATING SOURCES; TRANSPORT-EQUATIONS; NEUTRINO OSCILLATIONS; KINETIC DESCRIPTION; CHIRAL FERMIONS; ORDER H; BARYOGENESIS; UNIVERSE; NUMBER AB We derive from first principles, using nonequilibrium field theory, the quantum Boltzmann equations that describe the dynamics of flavor oscillations, collisions, and a time-dependent mass matrix in the early universe. Working to leading nontrivial order in ratios of relevant time scales, we study in detail a toy model for weak-scale baryogenesis: two scalar species that mix through a slowly varying time-dependent and CP-violating mass matrix, and interact with a thermal bath. This model clearly illustrates how the CP asymmetry arises through coherent flavor oscillations in a nontrivial background. We solve the Boltzmann equations numerically for the density matrices, investigating the impact of collisions in various regimes. C1 [Cirigliano, Vincenzo] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Lee, Christopher] Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. [Lee, Christopher] Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. [Ramsey-Musolf, Michael J.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Ramsey-Musolf, Michael J.] CALTECH, Kellogg Radiat Lab, Pasadena, CA 91125 USA. [Tulin, Sean] TRIUMF, Theory Grp, Vancouver, BC V6T 2A3, Canada. RP Cirigliano, V (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Cirigliano, Vincenzo/0000-0002-9056-754X; Lee, Christopher/0000-0003-2385-7536 FU Nuclear Physics Office of the U.S. Department of Energy [DE-AC52-06NA25396, DE-AC02-05CH11, DE-FG02-08ER41531231]; Los Alamos National Laboratory; National Science Foundation [PHY-0457315]; Wisconsin Alumni Research Foundation; Natural Sciences and Engineering Research Council of Canada FX We acknowledge useful discussions at various stages of this project with Alex Friedland, Bjorn Garbrecht, Boris Kayser, Thomas Konstandin, Emil Mottola, and Petr Vogel. The work of V. C. 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. C. L. was supported in part by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231,and in part by the National Science Foundation under Grant No. PHY-0457315. M.J.R. M and S. T. were supported in part by the U.S. Department of Energy Contract No. DE-FG02-08ER41531 and by the Wisconsin Alumni Research Foundation. S. T. is kindly supported by the Natural Sciences and Engineering Research Council of Canada. For hospitality during significant portions of this work, we collectively thank the particle and nuclear theory groups at the Berkeley Center for Theoretical Physics and Lawrence Berkeley National Laboratory, the Institute for Nuclear Theory at the University of Washington, the University of Wisconsin-Madison, the California Institute of Technology, and Los Alamos National Laboratory. NR 61 TC 44 Z9 44 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 15 PY 2010 VL 81 IS 10 AR 103503 DI 10.1103/PhysRevD.81.103503 PG 25 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 602NS UT WOS:000278146700016 ER PT J AU de Putter, R Huterer, D Linder, EV AF de Putter, Roland Huterer, Dragan Linder, Eric V. TI Measuring the speed of dark: Detecting dark energy perturbations SO PHYSICAL REVIEW D LA English DT Article ID MICROWAVE BACKGROUND ANISOTROPIES; PROBE OBSERVATIONS; CROSS-CORRELATION; GALAXY SURVEY; SOUND SPEED; CONSTRAINTS; GROWTH AB The nature of dark energy can be probed not only through its equation of state but also through its microphysics, characterized by the sound speed of perturbations to the dark energy density and pressure. As the sound speed drops below the speed of light, dark energy inhomogeneities increase, affecting both cosmic microwave background and matter power spectra. We show that current data can put no significant constraints on the value of the sound speed when dark energy is purely a recent phenomenon, but can begin to show more interesting results for early dark energy models. For example, the best fit model for current data has a slight preference for dynamics [w(a)not equal -1], degrees of freedom distinct from quintessence (c(s) not equal 1), and early presence of dark energy [Omega(de)(a << 1) not equal 0]. Future data may open a new window on dark energy by measuring its spatial as well as time variation. C1 [de Putter, Roland; Linder, Eric V.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [de Putter, Roland; Linder, Eric V.] Berkeley Lab, Berkeley, CA 94720 USA. [Huterer, Dragan] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Linder, Eric V.] Ewha Womans Univ, Inst Early Universe, Seoul, South Korea. RP de Putter, R (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. FU Office of Science, Office of High Energy Physics, of the U.S. Department of Energy [DE-AC02-05CH11231]; World Class University [R32-2008-000-101300]; DOE OJI [DE-FG02-95ER40899]; NSF [AST-0807564]; NASA [NNX09AC89G] FX We are extremely grateful to the Supernova Cosmology Project for permission to use the Union2 supernova data before publication and for use of their computer cluster. R. d. P. thanks Jeff Anderson for invaluable computer support and Marina Cortes for useful conversations about MCMC. E. L. and R. d. P. have been supported in part by the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and E. L. by the World Class University Grant No. R32-2008-000-101300. D. H. is supported by the DOE OJI grant under Contract No. DE-FG02-95ER40899, NSF under Contract No. AST-0807564, and NASA under Contract No. NNX09AC89G. NR 48 TC 49 Z9 49 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 15 PY 2010 VL 81 IS 10 AR 103513 DI 10.1103/PhysRevD.81.103513 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 602NS UT WOS:000278146700026 ER PT J AU Hooper, D Spolyar, D Vallinotto, A Gnedin, NY AF Hooper, Dan Spolyar, Douglas Vallinotto, Alberto Gnedin, Nickolay Y. TI Inelastic dark matter as an efficient fuel for compact stars SO PHYSICAL REVIEW D LA English DT Article ID GALACTIC-CENTER; 1ST STARS; ANNIHILATION; HALOS; CONTRACTION; GALAXIES; DYNAMICS; BURNERS; CAPTURE; DENSITY AB Dark matter in the form of weakly interacting massive particles is predicted to become gravitationally captured and accumulate in stars. While the subsequent annihilations of such particles lead to the injection of energy into stellar cores, elastically scattering dark matter particles do not generally yield enough energy to observably impact stellar phenomenology. Dark matter particles that scatter inelastically with nuclei (such that they reconcile the annual modulation reported by DAMA with the null results of CDMS and other experiments), however, can be captured by and annihilate in compact stars at a much higher rate. As a result, old white dwarf stars residing in high dark matter density environments can be prevented from cooling below several thousand degrees Kelvin. Observations of old, cool white dwarfs in dwarf spheroidal galaxies, or in the inner kiloparsec of the Milky Way, can thus potentially provide a valuable test of the inelastic dark matter hypothesis. C1 [Hooper, Dan; Spolyar, Douglas; Vallinotto, Alberto; Gnedin, Nickolay Y.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Hooper, Dan; Gnedin, Nickolay Y.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Gnedin, Nickolay Y.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Hooper, D (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. FU U.S. Department of Energy [DE-FG02-95ER40896]; NASA [NAG5-10842] FX While we were in the final stages of this project, Ref. [35] appeared on the LANL archive. While our numerical results are in good agreement, we have chosen to focus our study on inelastic dark matter captured by white dwarfs in dwarf spheroidal galaxies and in the inner Milky Way, rather than in globular clusters, which we have argued are unlikely to contain high densities of dark matter. The authors are supported by the U.S. Department of Energy, including Grant No. DE-FG02-95ER40896. D. H. is also supported by NASA Grant No. NAG5-10842. NR 64 TC 19 Z9 19 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 15 PY 2010 VL 81 IS 10 AR 103531 DI 10.1103/PhysRevD.81.103531 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 602NS UT WOS:000278146700044 ER PT J AU Shandarin, S Habib, S Heitmann, K AF Shandarin, Sergei Habib, Salman Heitmann, Katrin TI Origin of the cosmic network in Lambda CDM: Nature vs nurture SO PHYSICAL REVIEW D LA English DT Article ID LARGE-SCALE STRUCTURE; CAMPANAS REDSHIFT SURVEY; UNIVERSE; GALAXIES; TOPOLOGY; SUPERCLUSTERS; PERCOLATION; SIMULATIONS; FILAMENTS; SPACE AB The large-scale structure of the Universe, as traced by the distribution of galaxies, is now being revealed by large-volume cosmological surveys. The structure is characterized by galaxies distributed along filaments, the filaments connecting in turn to form a percolating network. Our objective here is to quantitatively specify the underlying mechanisms that drive the formation of the cosmic network: By combining percolation-based analyses with N-body simulations of gravitational structure formation, we elucidate how the network has its origin in the properties of the initial density field (nature) and how its contrast is then amplified by the nonlinear mapping induced by the gravitational instability (nurture). C1 [Shandarin, Sergei] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Habib, Salman] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Heitmann, Katrin] Los Alamos Natl Lab, ISR Div, Los Alamos, NM 87545 USA. RP Shandarin, S (reprint author), Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. FU Los Alamos National Laboratory; LANL's LDRD FX S. S. acknowledges sabbatical support at Los Alamos National Laboratory. S. H. and K. H. acknowledge support from LANL's LDRD and institutional open supercomputing programs. This research was initiated at the Aspen Center for Physics in 2005. NR 50 TC 10 Z9 10 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD MAY 15 PY 2010 VL 81 IS 10 AR 103006 DI 10.1103/PhysRevD.81.103006 PG 11 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 602NS UT WOS:000278146700010 ER PT J AU Xu, CK Horava, P AF Xu, Cenke Horava, Petr TI Emergent gravity at a Lifshitz point from a Bose liquid on the lattice SO PHYSICAL REVIEW D LA English DT Article AB We propose a model with quantum bosons on the fcc lattice, which has a stable algebraic Bose liquid phase at low energy. We show that this phase is described by emergent quantum gravity at the Gaussian z = 3 Lifshitz fixed point in 3 + 1 dimensions. The stability of this algebraic Bose liquid phase is guaranteed by the gauge symmetry of gravitons and self-duality of the low-energy field theory. By tuning one parameter in the lattice boson model we can drive a phase transition between the z = 3 Lifshitz gravity and another algebraic Bose liquid phase, described by gravity at the z = 2 Lifshitz point. C1 [Xu, Cenke] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Horava, Petr] Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. [Horava, Petr] Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. [Horava, Petr] Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778568, Japan. RP Xu, CK (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. FU NSF [PHY-0555662, PHY-0855653]; DOE [DE-AC02-05CH11231]; Berkeley Center for Theoretical Physics FX We wish to thank the organizers of the KITP Miniprogram on Quantum Criticality and AdS/CFT Correspondence-Sean Hartnoll, Joe Polchinski and Subir Sachdev-for their hospitality in Santa Barbara during an important stage of this work in July 2009. P. H. has been supported by NSF Grants PHY-0555662 and PHY-0855653, DOE Grant DE-AC02-05CH11231, and by the Berkeley Center for Theoretical Physics. NR 23 TC 17 Z9 17 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 15 PY 2010 VL 81 IS 10 AR 104033 DI 10.1103/PhysRevD.81.104033 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 602NS UT WOS:000278146700081 ER PT J AU Jing, X Jaw, J Robinson, HH Schubot, FD AF Jing, Xing Jaw, Jessica Robinson, Howard H. Schubot, Florian David TI Crystal structure and oligomeric state of the RetS signaling kinase sensory domain SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE RetS; type III secretion; biofilm formation; sensor kinase; sensory domain; carbohydrate binding; signal transduction; two-component system; periplasmic domain ID CARBOHYDRATE-RECOGNITION DOMAIN; PSEUDOMONAS-AERUGINOSA; SWARMING MOTILITY; BINDING MODULES; REGULATORY RNA; PROTEIN; VIRULENCE; IDENTIFICATION; EXPRESSION; GENES AB The opportunistic pathogen Pseudoinonas aeruginosa may cause both acute and chronic-persistent infections in predisposed individuals. Acute infections require the presence of a functional type III secretion system (T3SS), whereas chronic P. aeruginosa infections are characterized by the formation of drug-resistant biofilms. The T3SS and biofilm formation are reciprocally regulated by the signaling kinases LadS, RetS, and GacS. RetS downregulates biofilm formation and upregulates expression of the T3SS through a unique mechanism. RetS forms a heterodimeric complex with GacS and thus prevents GacS autophosphorylation and downstream signaling. The signals that regulate RetS are not known but RetS possesses a distinctive periplasmic sensor domain that is believed to serve as receptor for the regulatory ligand. We have determined the crystal structure of the RetS sensory domain at 2.0 angstrom resolution. The structure closely resembles those of carbohydrate binding modules of other proteins, suggesting that the elusive ligands are likely carbohydrate moieties. In addition to the conserved beta-sandwich structure, the sensory domain features two alpha helices which create a unique surface topology. Protein protein crosslinking and fluorescence energy transfer experiments also revealed that the sensory domain dimerizes with a dissociation constant of K(d) = 580 +/- 50 nM, a result with interesting implications for our understanding of the underlying signaling mechanism. C1 [Jing, Xing; Jaw, Jessica; Schubot, Florian David] Virginia Polytech Inst & State Univ, Dept Biol Sci, Blacksburg, VA 24060 USA. [Robinson, Howard H.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Schubot, FD (reprint author), Virginia Polytech Inst & State Univ, Dept Biol Sci, Room 125, Blacksburg, VA 24061 USA. EM fschubot@vt.edu FU Jeffress Memorial Trust [J-910]; American Heart Association [09SDG2260401]; DOE/DER, NIH/NCILR FX Grant sponsor: Jeffress Memorial Trust; Grant number: J-910; Grant sponsor: American Heart Association; Grant number: 09SDG2260401; Grant sponsors: DOE/DER, NIH/NCILR NR 41 TC 12 Z9 12 U1 0 U2 0 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD MAY 15 PY 2010 VL 78 IS 7 BP 1631 EP 1640 DI 10.1002/prot.22679 PG 10 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 591LO UT WOS:000277302300003 PM 20112417 ER PT J AU Kang, XH Wang, J Wu, H Liu, J Aksay, IA Lin, YH AF Kang, Xinhuang Wang, Jun Wu, Hong Liu, Jun Aksay, Ilhan A. Lin, Yuehe TI A graphene-based electrochemical sensor for sensitive detection of paracetamol SO TALANTA LA English DT Article DE Graphene; Paracetamol; Square-wave voltammetry; Pharmaceutical preparation tablets ID GLASSY-CARBON ELECTRODE; VOLTAMMETRIC DETERMINATION; SOLAR-CELLS; ACETAMINOPHEN; GRAPHITE; OXIDE; TRANSPARENT; NANOTUBES; OXIDATION; BEHAVIOR AB An electrochemical sensor based on the electrocatalytic activity of functionalized graphene for sensitive detection of paracetamol is presented. The electrochemical behaviors of paracetamol on graphene-modified glassy carbon electrodes (GCEs) were investigated by cyclic voltammetry and square-wave voltammetry. The results showed that the graphene-modified electrode exhibited excellent electrocatalytic activity to paracetamol. A quasi-reversible redox process of paracetamol at the modified electrode was obtained, and the over-potential of paracetamol decreased significantly compared with that at the bare GCE. Such electrocatalytic behavior of graphene is attributed to its unique physical and chemical properties, e.g., subtle electronic characteristics, attractive pi-pi interaction, and strong adsorptive capability. This electrochemical sensor shows an excellent performance for detecting paracetamol with a detection limit of 3.2 x 10(-8) M, a reproducibility of 5.2% relative standard deviation, and a satisfied recovery from 96.4% to 103.3%. The sensor shows great promise for simple, sensitive, and quantitative detection and screening of paracetamol. (C) 2010 Elsevier B.V. All rights reserved. C1 [Kang, Xinhuang; Wang, Jun; Wu, Hong; Liu, Jun; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kang, Xinhuang] Guangdong Ocean Univ, Coll Sci, Zhanjiang 524088, Peoples R China. [Aksay, Ilhan A.] Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Aksay, Ilhan/B-9281-2008; Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RL01830]; Army Research Office (ARO)/Multidisciplinary Research Initiative (MURI) [W911NF-04-1-0170, W911F-09-1-0476]; Directed Technologies, Inc. FX The work was supported by a laboratory-directed research and development program at Pacific Northwest National Laboratory (PNNL). The TEM and SEM works described in this paper were performed at the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is operated for DOE by Battelle under Contract DE-AC05-76RL01830. X. Kang gratefully acknowledges the award of a PNNL fellowship to perform this work at PNNL. Ilhan A. Aksay acknowledges support from Army Research Office (ARO)/Multidisciplinary Research Initiative (MURI) under grant number W911NF-04-1-0170, W911F-09-1-0476, and the Directed Technologies, Inc. NR 38 TC 220 Z9 239 U1 26 U2 176 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 J9 TALANTA JI Talanta PD MAY 15 PY 2010 VL 81 IS 3 BP 754 EP 759 DI 10.1016/j.talanta.2010.01.009 PG 6 WC Chemistry, Analytical SC Chemistry GA 586CA UT WOS:000276877500002 PM 20298849 ER PT J AU Mnatsakanyan, M Goodie, TA Conlan, XA Francis, PS McDermott, GP Barnett, NW Shock, D Gritti, F Guiochon, G Shalliker, RA AF Mnatsakanyan, Mariam Goodie, Tiffany A. Conlan, Xavier A. Francis, Paul S. McDermott, Geoffrey P. Barnett, Neil W. Shock, David Gritti, Fabrice Guiochon, Georges Shalliker, R. Andrew TI High performance liquid chromatography with two simultaneous on-line antioxidant assays: Evaluation and comparison of espresso coffees SO TALANTA LA English DT Article DE HPLC; Antioxidant assays; Coffee; Chemiluminescence; Kinetex column ID ACIDIC POTASSIUM-PERMANGANATE; RADICAL SCAVENGING ACTIVITY; FLOW-INJECTION ANALYSIS; IN-VITRO; CHEMILUMINESCENCE DETECTION; BIOLOGICAL-SYSTEMS; PHENOLIC-COMPOUNDS; CAPACITY; FOOD; EXTRACTS AB The antioxidant profiles of various espresso coffees were established using EIPLC with UV-absorbance detection and two rapid, simultaneous, on-line chemical assays that enabled the relative reactivity of sample components to be screened. The assays were based on (i) the colour change associated with reduction of the 2,2'-diphenyl-1-picrylhydrazyl radical (DPPH(center dot)): and (ii) the emission of light (chemiluminescence) upon reaction with acidic potassium permanganate. Results from the two approaches were similar and reflected the complex array of antioxidant species present in the samples. However, some differences in selectivity were observed. Chromatograms generated with the chemiluminescence assay contained more peaks, which was ascribed to the greater sensitivity of the reagent towards minor, readily oxidisable sample components. The three coffee samples produced closely related profiles, signifying their fundamentally similar chemical compositions and origin. Nevertheless, the overall intensity and complexity of the samples in both UV absorption and antioxidant assay chromatograms were aligned with the manufacturers description of flavour intensity and character. (C) 2010 Elsevier B.V. All rights reserved. C1 [Mnatsakanyan, Mariam; Shock, David; Shalliker, R. Andrew] Univ Western Sydney, Sch Nat Sci, ACROSS, Parramatta, NSW 1797, Australia. [Mnatsakanyan, Mariam; Shock, David; Shalliker, R. Andrew] Univ Western Sydney, Nanoscale Org & Dynam Grp, Penrith, NSW 1797, Australia. [Goodie, Tiffany A.; Francis, Paul S.; McDermott, Geoffrey P.; Barnett, Neil W.] Deakin Univ, Sch Life & Environm Sci, Geelong, Vic 3217, Australia. [Conlan, Xavier A.] Deakin Univ, Inst Technol Res & Innovat, Geelong, Vic 3217, Australia. [Gritti, Fabrice; Guiochon, Georges] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Gritti, Fabrice; Guiochon, Georges] Oak Ridge Natl Lab, Oak Ridge, TN 37996 USA. RP Shalliker, RA (reprint author), Univ Western Sydney, Sch Nat Sci, ACROSS, Parramatta, NSW 1797, Australia. EM r.shalliker@uws.edu.au RI Francis, Paul/B-7112-2008 OI Francis, Paul/0000-0003-4165-6922 FU University of Western Sydney; Australian Postgraduate Award FX MM would like to thank the University of Western Sydney for the receipt of a Postgraduate Scholarship. TAG and DPM acknowledge receipt of an Australian Postgraduate Award. The authors also thank Phenomenex for providing the Kinetex column. NR 54 TC 32 Z9 32 U1 0 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 J9 TALANTA JI Talanta PD MAY 15 PY 2010 VL 81 IS 3 BP 837 EP 842 DI 10.1016/j.talanta.2010.01.024 PG 6 WC Chemistry, Analytical SC Chemistry GA 586CA UT WOS:000276877500015 PM 20298862 ER PT J AU Schmidt, M Schwartzberg, AM Carroll, A Chaibang, A Adams, PD Schuck, PJ AF Schmidt, Martin Schwartzberg, Adam M. Carroll, Andrew Chaibang, Adisorn Adams, Paul D. Schuck, P. James TI Raman imaging of cell wall polymers in Arabidopsis thaliana SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Article DE Arabidopsis; Cell wall; Microspectroscopy; Raman imaging ID BIOFUELS; MICROSCOPY AB We present chemical images of Arabidopsis thaliana stem cross-sections acquired by confocal Raman microscopy. Using green light (532 nm) from a continuous wave laser, the spatial distributions of cell wall polymers in Arabidopsis are visualized for the first time with lateral resolution that is sub-gm. Our results facilitate the label-free in situ characterization and screening of cell wall composition in this plant biology and genetics model organism, contributing ultimately towards an understanding of the molecular biology of many plant traits. (C) 2010 Elsevier Inc. All rights reserved. C1 [Schmidt, Martin; Carroll, Andrew] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Schwartzberg, Adam M.; Adams, Paul D.; Schuck, P. James] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Chaibang, Adisorn] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Carroll, Andrew] Stanford Univ, Dept Biol, Stanford, CA 94305 USA. RP Schmidt, M (reprint author), Univ Calif Berkeley, Energy Biosci Inst, 118 Calvin Lab,MC 5230, Berkeley, CA 94720 USA. EM mwbschmidt@berkeley.edu RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU Energy Biosciences Institute; US Department of Energy [DOE-FG02-03ER20133]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH1123] FX This work was supported by the Energy Biosciences Institute and the US Department of Energy (Grant DOE-FG02-03ER20133). Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH1123. NR 13 TC 17 Z9 17 U1 8 U2 32 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0006-291X J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD MAY 14 PY 2010 VL 395 IS 4 BP 521 EP 523 DI 10.1016/j.bbrc.2010.04.055 PG 3 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 601OG UT WOS:000278070600012 PM 20394731 ER PT J AU Provino, A Gschneidner, KA Manfrinetti, P AF Provino, A. Gschneidner, K. A., Jr. Manfrinetti, P. TI Structure and thermal stability of the RMgPb rare earth compounds, and the anomalous melting behaviour of SmMgPb SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Rare earth compounds; Rare earth magnesium plumbides; Crystal structures; Melting points; Samarium anomaly AB The synthesis, crystal structure and melting behaviour of the new family of ternary rare earth RMgPb compounds is reported in this work All the rare earth elements (Including Y and Sc) form the equiatomic phase 1:1:1 with Mg and Pb, similar to the recently investigated RMgSn compounds series. Unlike RMgSn, all the RMgPb phases (the lighter, as well as the heavier, trivalent lanthanides) crystallize with the same crystal structure the tetragonal CeScSi-type (an ordered derivative of the La(2)Sb-type structure, t/12, space group I4/mmm) Both the observed unit cell volume (V(obs)) and the mean atomic volume (V(obs)/n, where n is the number of atoms in a unit cell) decrease linearly from LaMgPb [a = 4 598(1)angstrom, c = 16 512(2)angstrom] to LuMgPb [a = 4.356(1)angstrom, c = 15.783(2)angstrom] confirming the lanthanide contraction in the RMgPb series On the other hand, the volume of formation (Delta V %) becomes more negative by a non-linear trend on going from La to Lu A high temperature polymorph phase, allot hombic TiNiSi-type. has been found for both YbMgSn and YbMgPb Further work concerning the existence of the phase "ScMgSn" has been also performed The relationships between the structural properties and formation thermodynamics of both the RMgSn and the RMgPb series of compounds have been examined in the present work All the RMgPb phases form congruently (including YMgPb and ScMgPb) and their melting temperatures decrease non-linearly from LaMgPb to ScMgPb YbMgSn and YbMgPb also form congruently with anomalously high melting points A particular and interesting anomaly has been observed for SmMgPb and Sm containing pseudo-ternary compounds [Nd(1-x)Sm(x)MgPb(x = 0.4, 0 6, 0.8) and Sm(1-y)Gd(y)MgPb (y = 0 6, 0 4, 0 2)]. their melting temperature are lower than the ones expected from the trend established by the other RMgPb phases by as much as 70 degrees C This anomalous behaviour led to an examination of the melting points of selected Sm-bearing materials, including Sm metal The low melting points are thought to be due to a decrease in the valence of trivalent Sm phases at 25 degrees C as the materials are heated and thus a lower bonding strength (c) 2010 Elsevier B V All rights reserved C1 [Provino, A.; Manfrinetti, P.] Univ Genoa, Dept Chem & Ind Chem, I-16146 Genoa, Italy. [Provino, A.; Manfrinetti, P.] CNR SPIN, I-16152 Genoa, Italy. [Gschneidner, K. A., Jr.] US DOE, Ames Lab, Ames, IA 50011 USA. [Gschneidner, K. A., Jr.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Manfrinetti, P (reprint author), Univ Genoa, Dept Chem & Ind Chem, Via Dodecaneso 31, I-16146 Genoa, Italy. FU Office of Basic Energy Sciences, Materials Sciences Division of the US Department of Energy with Iowa State University [DE-AC02-07CH11358] FX Karl A. Gschneidner, Jr.'s contribution to this research was supported by the Office of Basic Energy Sciences, Materials Sciences Division of the US Department of Energy under Contract No. DE-AC02-07CH11358 with Iowa State University. NR 17 TC 6 Z9 6 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD MAY 14 PY 2010 VL 497 IS 1-2 BP 131 EP 138 DI 10.1016/j.jallcom.2010.03.083 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 610PC UT WOS:000278744600032 ER PT J AU Luo, WF Cowgill, D Stewart, K Stavila, V AF Luo, Weifang Cowgill, Donald Stewart, Ken Stavila, Vitalie TI High capacity hydrogen generation on-demand from (NH3 + LiAlH4) SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Hydrogen generation; Ammonia; Metal hydrides; Exothermic reaction ID SODIUM-BOROHYDRIDE; STORAGE; DECOMPOSITION; AMMONIA; SYSTEM; IMIDES; LIH AB Hydrogen storage materials with high capacity are highly desirable Currently none of the existing storage materials can meet the requirement of motor vehicle applications. We report a new hydrogen storage generation system, LiAlH4 + NH3. The two components are stored in separate containers when there is no demand for hydrogen, while the two components mix, hydrogen can be generated, up to 13 wt % H-2 at ambient temperature, on-demand The H-2 formation is exothermic with a high rate, suggesting that this is unlikely to be a reversible hydrogen storage material More investigation is needed to improve or to maximize the degree of conversion (C) 2010 Elsevier B.V. All rights reserved C1 [Luo, Weifang; Cowgill, Donald; Stewart, Ken; Stavila, Vitalie] Sandia Natl Labs, Livermore, CA 94551 USA. RP Luo, WF (reprint author), Sandia Natl Labs, 7011 East Ave,MS9403, Livermore, CA 94551 USA. EM wluo@sandia.gov RI Stavila, Vitalie/F-4188-2010; Stavila, Vitalie/B-6464-2008 OI Stavila, Vitalie/0000-0003-0981-0432 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia's Laboratory Directed Research and Development Office 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. Funding was provided by Sandia's Laboratory Directed Research and Development Office. NR 14 TC 6 Z9 6 U1 1 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD MAY 14 PY 2010 VL 497 IS 1-2 BP L17 EP L20 DI 10.1016/j.jallcom.2010.03.040 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 610PC UT WOS:000278744600005 ER PT J AU Heine, DR Petersen, MK Grest, GS AF Heine, David R. Petersen, Matt K. Grest, Gary S. TI Effect of particle shape and charge on bulk rheology of nanoparticle suspensions SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE molecular dynamics method; nanoparticles; rheology; suspensions; viscosity ID MOLECULAR-DYNAMICS; BROWNIAN DYNAMICS; SHEAR; GELATION AB The rheology of nanoparticle suspensions for nanoparticles of various shapes with equal mass is studied using molecular dynamics simulations. The equilibrium structure and the response to imposed shear are analyzed for suspensions of spheres, rods, plates, and jacks in an explicit solvent for both charged and uncharged nanoparticles. For the volume fraction studied, phi(vf)=0.075, the uncharged systems are all in their isotropic phase, and the viscosity is only weakly dependent on shape for spheres, rods, and plate, whereas for the jacks the viscosity is an order of magnitude larger than for the other three shapes. The introduction of charge increases the viscosity for all four nanoparticle shapes, with the increase being the largest for rods and plates. The presence of a repulsive charge between the particles decreases the amount of stress reduction that can be achieved by particle reorientation. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3419071] C1 [Heine, David R.] Corning Inc, Div Sci & Technol, Corning, NY 14831 USA. [Petersen, Matt K.; Grest, Gary S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Heine, DR (reprint author), Corning Inc, Div Sci & Technol, SP TD 01-1, Corning, NY 14831 USA. EM heinedr@corning.com FU United States DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX We would like to thank the New Mexico Computing Application Center (NMCAC) for a generous allocation of computer time. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the United States DOE's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 19 TC 27 Z9 28 U1 4 U2 31 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 14 PY 2010 VL 132 IS 18 AR 184509 DI 10.1063/1.3419071 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 597KS UT WOS:000277756500024 ER PT J AU Roy, S Musselman, CA Kachirskaia, I Hayashi, R Glass, KC Nix, JC Gozani, O Appella, E Kutateladze, TG AF Roy, Siddhartha Musselman, Catherine A. Kachirskaia, Ioulia Hayashi, Ryo Glass, Karen C. Nix, Jay C. Gozani, Or Appella, Ettore Kutateladze, Tatiana G. TI Structural Insight into p53 Recognition by the 53BP1 Tandem Tudor Domain SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE Tudor domain; methylated p53; 53BP1; structure; cancer ID LYSINE METHYLATION; BINDING-PROTEIN-1 53BP1; HISTONE H2AX; DNA; REPRESSION; CHECKPOINT; PROTEINS AB The tumor suppressor p53 and the DNA repair factor 53BP1 (p53 binding protein 1) regulate gene transcription and responses to genotoxic stresses. Upon DNA damage, p53 undergoes dimethylation at Lys382 (p53K382me2), and this posttranslational modification is recognized by 53BP1. The molecular mechanism of nonhistone methyl-lysine mark recognition remains unknown. Here we report a 1. 6-angstrom-resolution crystal structure of the tandem Tudor domain of human 53BP1 bound to a p53K382me2 peptide. In the complex, dimethylated Lys382 is restrained by a set of hydrophobic and cation-pi interactions in a cage formed by four aromatic residues and an aspartate of 53BP1. The signature HKKme2 motif of p53, which defines specificity, is identified through a combination of NMR resonance perturbations, mutagenesis, measurements of binding affinities and docking simulations, and analysis of the crystal structures of 53BP1 bound to p53 peptides containing other dimethyl-lysine marks, p53K370me2 (p53 dimethylated at Lys370) and p53K372me2 (p53 dimethylated at Lys372). Binding of the 53BP1 Tudor domain to p53K382me2 may facilitate p53 accumulation at DNA damage sites and promote DNA repair as suggested by chromatin immunoprecipitation and DNA repair assays. Together, our data detail the molecular mechanism of p53-53BP1 association and provide the basis for deciphering the role of this interaction in the regulation of p53 and 53BP1 functions. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Roy, Siddhartha; Musselman, Catherine A.; Glass, Karen C.; Kutateladze, Tatiana G.] Univ Colorado Denver, Dept Pharmacol, Sch Med, Aurora, CO 80045 USA. [Kachirskaia, Ioulia; Gozani, Or] Stanford Univ, Dept Biol Sci, Stanford, CA 94305 USA. [Hayashi, Ryo; Appella, Ettore] NCI, Cell Biol Lab, NIH, Bethesda, MD 20892 USA. [Nix, Jay C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Beamline 4 2 2, Mol Biol Consortium, Berkeley, CA 94720 USA. RP Kutateladze, TG (reprint author), Univ Colorado Denver, Dept Pharmacol, Sch Med, 12801 E 17th Ave, Aurora, CO 80045 USA. EM Tatiana.Kutateladze@UCDenver.edu OI Glass, Karen/0000-0002-2761-733X FU National Institutes of Health [CA113472, GM071424] FX We thank A.M.J.J. Bonvin, K. Walters, and L. Jenkins for helping with the experiments, and T. Hong and K. Chua for the I-SceI stable cell lines. This research was supported by National Institutes of Health grants CA113472 and GM071424 (T.G.K.). C.A.M. and K.C.G. are recipients of National Institutes of Health National Research Service Award postdoctoral fellowships. NR 25 TC 25 Z9 25 U1 0 U2 6 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD MAY 14 PY 2010 VL 398 IS 4 BP 489 EP 496 DI 10.1016/j.jmb.2010.03.024 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 599FD UT WOS:000277895500003 PM 20307547 ER PT J AU Guo, HB Johs, A Parks, JM Olliff, L Miller, SM Summers, AO Liang, LY Smith, JC AF Guo, Hao-Bo Johs, Alexander Parks, Jerry M. Olliff, Lyn Miller, Susan M. Summers, Anne O. Liang, Liyuan Smith, Jeremy C. TI Structure and Conformational Dynamics of the Metalloregulator MerR upon Binding of Hg(II) SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE MerR; Mercury-dependent transcriptional regulator; SAXS; MD; Conformational Dynamics ID RAY SOLUTION SCATTERING; SMALL-ANGLE SCATTERING; METAL-BRIDGED DIMER; X-RAY; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURE; TRANSCRIPTION ACTIVATION; MERCURY RESISTANCE; MUTANTS IMPLICATE; GENETIC-ANALYSIS AB The bacterial metalloregulator MerR is the index case of an eponymous family of regulatory proteins, which controls the transcription of a set of genes (the mer operon) conferring mercury resistance in many bacteria. Homodimeric MerR represses transcription in the absence of mercury and activates transcription upon Hg(II) binding. Here, the average structures of the apo and Hg(II)-bound forms of MerR in aqueous solution are examined using small-angle X-ray scattering, indicating an extended conformation of the metal-bound protein and revealing the existence of a novel compact conformation in the absence of Hg(II). Molecular dynamics (MD) simulations are performed to characterize the conformational dynamics of the Hg (II)-bound form. In both small-angle X-ray scattering and MD, the average torsional angle between DNA-binding domains is similar to 65 degrees. Furthermore, in MD, interdomain motions on a timescale of similar to 10 ns involving large-amplitude (similar to 20 angstrom) domain opening-and-closing, coupled to similar to 40 degrees variations of interdomain torsional angle, are revealed. This correlated domain motion may propagate allosteric changes from the metal-binding site to the DNA-binding site while maintaining DNA contacts required to initiate DNA underwinding. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Guo, Hao-Bo; Parks, Jerry M.; Smith, Jeremy C.] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA. [Johs, Alexander; Liang, Liyuan] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Olliff, Lyn; Summers, Anne O.] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. [Miller, Susan M.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. RP Smith, JC (reprint author), Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM smithjc@ornl.gov RI Guo, Hao-Bo/B-7486-2009; Johs, Alexander/F-1229-2011; smith, jeremy/B-7287-2012; Parks, Jerry/B-7488-2009; Liang, Liyuan/O-7213-2014 OI Guo, Hao-Bo/0000-0003-1321-1758; Johs, Alexander/0000-0003-0098-2254; smith, jeremy/0000-0002-2978-3227; Summers, Anne/0000-0003-4258-9696; Parks, Jerry/0000-0002-3103-9333; Liang, Liyuan/0000-0003-1338-0324 FU US Department of Energy Office of Science, Office of Biological and Environmental Research; US Department of Energy [DE-AC05-00OR22725, DE-AC02-05CH11231]; National Science Foundation [TG-MCA08X032]; National Center for Super-computing Applications FX This research was funded by the US Department of Energy Office of Science, Office of Biological and Environmental Research. Computer resources were provided by the National Center for Computational Sciences at Oak Ridge National Laboratory-which is supported by the Office of Science of the US Department of Energy under contract no. DE-AC05-00OR22725 and by the National Science Foundation through TeraGrid resources (grant TG-MCA08X032) provided by the National Institute for Computational Science-and the National Center for Super-computing Applications. The US Department of Energy provided support of the SIBYLS beamline for SAXS experiments under contract no. DE-AC02-05CH11231. We thank Loukas Petridis for helpful suggestions on the Automatic Frequency Matching Method calculations, and Trey Mullis for production of MerR protein. NR 66 TC 12 Z9 12 U1 2 U2 23 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD MAY 14 PY 2010 VL 398 IS 4 BP 555 EP 568 DI 10.1016/j.jmb.2010.03.020 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 599FD UT WOS:000277895500009 PM 20303978 ER PT J AU Luo, M Jiang, YL Ma, XX Tang, YJ He, YX Yu, J Zhang, RG Chen, YX Zhou, CZ AF Luo, Ming Jiang, Yong-Liang Ma, Xiao-Xiao Tang, Ya-Jun He, Yong-Xing Yu, Jiang Zhang, Rong-Guang Chen, Yuxing Zhou, Cong-Zhao TI Structural and Biochemical Characterization Yeast Monothiol Glutaredoxin Grx6 SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE glutaredoxin; Saccharomyces cerevisiae; crystal structure; enzymatic activity; glutathione S-transferase ID IRON-SULFUR PROTEIN; SACCHAROMYCES-CEREVISIAE; GLUTATHIONE; THIOREDOXIN; CLUSTER; TRANSFERASES; PROTECTION; SEQUENCE; ENZYMES; SYSTEMS AB Glutaredoxins (Grxs) are a ubiquitous family of proteins that reduce disulfide bonds in substrate proteins using electrons from reduced glutathione (GSH). The yeast Saccharomyces cerevisiae Grx6 is a monothiol Grx that is localized in the endoplasmic reticulum and Golgi compartments. Grx6 consists of three segments, a putative signal peptide (M1-I36), an N-terminal domain (K37-T110), and a C-terminal Grx domain (K111-N231, designated Grx6C). Compared to the classic dithiol glutaredoxin Grx1, Grx6 has a lower glutathione disulfide reductase activity but a higher glutathione S-transferase activity. In addition, similar to human Grx2, Grx6 binds GSH via an iron-sulfur cluster in vitro. The N-terminal domain is essential for noncovalent dimerization, but not required for either of the above activities. The crystal structure of Grx6C at 1.5 angstrom resolution revealed a novel two-strand antiparallel beta-sheet opposite the GSH binding groove. This extra beta-sheet might also exist in yeast Grx7 and in a group of putative Grxs in lower organisms, suggesting that Grx6 might represent the first member of a novel Grx subfamily. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Luo, Ming; Jiang, Yong-Liang; Ma, Xiao-Xiao; Tang, Ya-Jun; He, Yong-Xing; Yu, Jiang; Chen, Yuxing; Zhou, Cong-Zhao] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230027, Anhui, Peoples R China. [Luo, Ming; Jiang, Yong-Liang; Ma, Xiao-Xiao; Tang, Ya-Jun; He, Yong-Xing; Yu, Jiang; Chen, Yuxing; Zhou, Cong-Zhao] Univ Sci & Technol China, Sch Life Sci, Hefei 230027, Anhui, Peoples R China. [Zhang, Rong-Guang] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. RP Zhou, CZ (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230027, Anhui, Peoples R China. EM zcz@ustc.edu.cn RI Zhou, Cong-Zhao/E-9174-2011; Yu, Jiang/C-6980-2012; Chen, Yuxing/P-4156-2014 OI Zhou, Cong-Zhao/0000-0002-6881-7151; Chen, Yuxing/0000-0002-7560-1922 FU Ministry of Science and Technology of China [2006CB910202, 2006CB806501]; National Natural Science Foundation of China [30870490] FX This work was supported by the Ministry of Science and Technology of China (Projects 2006CB910202 and 2006CB806501) and the National Natural Science Foundation of China (Program 30870490). We are grateful to all the developers of CCP4 Suit, PHENIX, and ESPript, Dr. L. D. Warren for providing PyMOL, and Dr. Xue Yu for the program Domain Graph. NR 45 TC 26 Z9 26 U1 2 U2 25 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD MAY 14 PY 2010 VL 398 IS 4 BP 614 EP 622 DI 10.1016/j.jmb.2010.03.029 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 599FD UT WOS:000277895500013 PM 20347849 ER PT J AU Ohrwall, G Stolte, WC Guillemin, R Yu, SW Piancastelli, MN Lindle, DW AF Ohrwall, G. Stolte, W. C. Guillemin, R. Yu, S-W Piancastelli, M. N. Lindle, D. W. TI Photofragmentation of cyanogen upon carbon and nitrogen K-shell excitation by partial ion yield experiments SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID CORE-LEVEL PHOTOEXCITATION; SHAPE RESONANCES; PHOTOELECTRON-SPECTROSCOPY; ANIONIC PHOTOFRAGMENTATION; VALENCE; MOLECULES; SPECTRUM; PHOTOIONIZATION; C2N2; N2O AB Partial ion yield spectroscopy was used to study fragmentation processes in cyanogen after C 1s and N 1s photoexcitation. The interpretation of the core excitation spectrum mostly follows the literature, but the high resolution has in some cases allowed a more detailed assignment. Using the fact that in Rydberg states there is an intensity increase as the fragmentation process becomes more extensive compared to valence orbitals, we have been able to distinguish resonances with valence and Rydberg character. Furthermore, we have been able to assign features in the ionization continuum as arising from double excitations or shape resonances, by observation of the suppression of anion yield at shape resonances. C1 [Ohrwall, G.] Lund Univ, Max Lab, SE-22100 Lund, Sweden. [Stolte, W. C.; Lindle, D. W.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Stolte, W. C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Guillemin, R.] CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France. [Guillemin, R.] Univ Paris 06, UPMC, Lab Chim Phys Mat & Rayonnement, UMR 7614, F-75005 Paris, France. [Yu, S-W] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Piancastelli, M. N.] Uppsala Univ, Dept Phys & Mat Sci, SE-75121 Uppsala, Sweden. RP Ohrwall, G (reprint author), Lund Univ, Max Lab, POB 118, SE-22100 Lund, Sweden. FU National Science Foundation [PHY-05-55699]; DOE [DE-AC03-76SF00098] FX The authors thank the staff of the ALS for their excellent support. Support from the National Science Foundation under NSF grant no PHY-05-55699 is gratefully acknowledged. This work was performed at the Advanced Light Source, which is supported by DOE (DE-AC03-76SF00098). NR 38 TC 2 Z9 2 U1 3 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD MAY 14 PY 2010 VL 43 IS 9 AR 095201 DI 10.1088/0953-4075/43/9/095201 PG 8 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 588ND UT WOS:000277077100008 ER PT J AU Bajdich, M Tiago, ML Hood, RQ Kent, PRC Reboredo, FA AF Bajdich, Michal Tiago, Murilo L. Hood, Randolph Q. Kent, Paul R. C. Reboredo, Fernando A. TI Systematic Reduction of Sign Errors in Many-Body Calculations of Atoms and Molecules SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM MONTE-CARLO; ELECTRONIC-STRUCTURE AB The self-healing diffusion Monte Carlo algorithm (SHDMC) is shown to be an accurate and robust method for calculating the ground state of atoms and molecules. By direct comparison with accurate configuration interaction results for the oxygen atom, we show that SHDMC converges systematically towards the ground-state wave function. We present results for the challenging N(2) molecule, where the binding energies obtained via both energy minimization and SHDMC are near chemical accuracy (1 kcal/mol). Moreover, we demonstrate that SHDMC is robust enough to find the nodal surface for systems at least as large as C(20) starting from random coefficients. SHDMC is a linear-scaling method, in the degrees of freedom of the nodes, that systematically reduces the fermion sign problem. C1 [Bajdich, Michal; Tiago, Murilo L.; Reboredo, Fernando A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Hood, Randolph Q.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kent, Paul R. C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Bajdich, M (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RI Kent, Paul/A-6756-2008 OI Kent, Paul/0000-0001-5539-4017 FU U.S. DOE [DE-AC52-07NA27344] FX We thank D. Ceperley, R.M. Martin, and C.J. Umrigar for critically reading the manuscript and useful comments. This research used computer resources at NERSC and NCCS. Research sponsored by U.S. DOE BES Division of Materials Sciences & Engineering (F.A.R., M.L.T.) and ORNL LDRD program (M.B.). The Center for Nanophase Materials Sciences research was sponsored by the U.S. DOE Division of Scientific User Facilities (P.R.C.K.). Research at LLNL was performed under U.S. DOE Contract No. DE-AC52-07NA27344 (R.Q.H.). NR 20 TC 17 Z9 17 U1 1 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 14 PY 2010 VL 104 IS 19 AR 193001 DI 10.1103/PhysRevLett.104.193001 PG 4 WC Physics, Multidisciplinary SC Physics GA 596QH UT WOS:000277699600015 PM 20866961 ER PT J AU Friedland, A AF Friedland, Alexander TI Self-Refraction of Supernova Neutrinos: Mixed Spectra and Three-Flavor Instabilities SO PHYSICAL REVIEW LETTERS LA English DT Article ID GRAVITATIONAL COLLAPSE; EARLY UNIVERSE; CORE-COLLAPSE; OSCILLATIONS; GASES; STARS; BURST AB Neutrinos in a core-collapse supernova undergo coherent flavor transformations in their own background. We explore this phenomenon during the cooling stage of the explosion. Our three-flavor calculations reveal qualitatively new effects compared to a two-flavor analysis. These effects are especially clearly seen for the inverted mass hierarchy: we find a different pattern of spectral "swaps'' in the neutrino spectrum and a novel ''mixed'' spectrum for the antineutrinos. A brief discussion of the relevant physics is presented, including the instability of the two-flavor evolution trajectory, the three-flavor pattern of spectral "swaps,'' and partial nonadiabaticity of the evolution. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Friedland, A (reprint author), Los Alamos Natl Lab, Div Theoret, MS B285, Los Alamos, NM 87545 USA. FU Los Alamos National Laboratory FX I thank J. Carlson, V. Cirigliano, and S. Reddy for feedback. I am especially grateful to H. Duan for numerous helpful discussions and for bringing to my attention Refs. [27,48]. This work was supported by the LDRD program of the Los Alamos National Laboratory. NR 49 TC 45 Z9 45 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 14 PY 2010 VL 104 IS 19 AR 191102 DI 10.1103/PhysRevLett.104.191102 PG 4 WC Physics, Multidisciplinary SC Physics GA 596QH UT WOS:000277699600010 PM 20866956 ER PT J AU Jang, HW Kumar, A Denev, S Biegalski, MD Maksymovych, P Bark, CW Nelson, CT Folkman, CM Baek, SH Balke, N Brooks, CM Tenne, DA Schlom, DG Chen, LQ Pan, XQ Kalinin, SV Gopalan, V Eom, CB AF Jang, H. W. Kumar, A. Denev, S. Biegalski, M. D. Maksymovych, P. Bark, C. W. Nelson, C. T. Folkman, C. M. Baek, S. H. Balke, N. Brooks, C. M. Tenne, D. A. Schlom, D. G. Chen, L. Q. Pan, X. Q. Kalinin, S. V. Gopalan, V. Eom, C. B. TI Ferroelectricity in Strain-Free SrTiO3 Thin Films SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHASE-TRANSITIONS; FORCE MICROSCOPY; FLUCTUATIONS; PEROVSKITE; SURFACE; BATIO3 AB Biaxial strain is known to induce ferroelectricity in thin films of nominally nonferroelectric materials such as SrTiO3. By a direct comparison of the strained and strain-free SrTiO3 films using dielectric, ferroelectric, Raman, nonlinear optical and nanoscale piezoelectric property measurements, we conclude that all SrTiO3 films and bulk crystals are relaxor ferroelectrics, and the role of strain is to stabilize longerrange correlation of preexisting nanopolar regions, likely originating from minute amounts of unintentional Sr deficiency in nominally stoichiometric samples. These findings highlight the sensitive role of stoichiometry when exploring strain and epitaxy-induced electronic phenomena in oxide films, heterostructures, and interfaces. C1 [Jang, H. W.; Bark, C. W.; Folkman, C. M.; Baek, S. H.; Eom, C. B.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Kumar, A.; Denev, S.; Brooks, C. M.; Chen, L. Q.; Gopalan, V.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Biegalski, M. D.; Maksymovych, P.; Balke, N.; Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Nelson, C. T.; Pan, X. Q.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Brooks, C. M.; Schlom, D. G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Tenne, D. A.] Boise State Univ, Dept Phys, Boise, ID 83725 USA. RP Jang, HW (reprint author), Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA. EM eom@engr.wisc.edu RI Kalinin, Sergei/I-9096-2012; Chen, LongQing/I-7536-2012; Kumar, Amit/C-9662-2012; Baek, Seung-Hyub/B-9189-2013; Schlom, Darrell/J-2412-2013; Tenne, Dmitri/C-3294-2009; Eom, Chang-Beom/I-5567-2014; Jang, Ho Won/D-9866-2011; Balke, Nina/Q-2505-2015; Maksymovych, Petro/C-3922-2016; OI Kalinin, Sergei/0000-0001-5354-6152; Chen, LongQing/0000-0003-3359-3781; Kumar, Amit/0000-0002-1194-5531; Schlom, Darrell/0000-0003-2493-6113; Tenne, Dmitri/0000-0003-2697-8958; Jang, Ho Won/0000-0002-6952-7359; Balke, Nina/0000-0001-5865-5892; Maksymovych, Petro/0000-0003-0822-8459; Bark, Chung Wung/0000-0002-9394-4240 FU NSF [ECCS-0708759, DMR-0906443, DMR-0820404, DMR-0602986, DMR-0908718, DMR-0705127]; ONR [N00014-07-1-0215] FX This work was supported in part by the NSF through grants ECCS-0708759, DMR-0906443, DMR-0820404, DMR-0602986, DMR-0908718, DMR-0705127 (C.B.E), the ONR through grant N00014-07-1-0215, and helpful discussion with Thomas Tybell. The research at ORNL's CNMS was sponsored by the Scientific User Facilities Division, Office of BES, and DOE. NR 34 TC 108 Z9 108 U1 16 U2 168 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 14 PY 2010 VL 104 IS 19 AR 197601 DI 10.1103/PhysRevLett.104.197601 PG 4 WC Physics, Multidisciplinary SC Physics GA 596QH UT WOS:000277699600052 PM 20866998 ER PT J AU Magnani, N Colineau, E Eloirdi, R Griveau, JC Caciuffo, R Cornet, SM May, I Sharrad, CA Collison, D Winpenny, REP AF Magnani, N. Colineau, E. Eloirdi, R. Griveau, J. -C. Caciuffo, R. Cornet, S. M. May, I. Sharrad, C. A. Collison, D. Winpenny, R. E. P. TI Superexchange Coupling and Slow Magnetic Relaxation in a Transuranium Polymetallic Complex SO PHYSICAL REVIEW LETTERS LA English DT Article ID SINGLE-MOLECULE MAGNETS; ELECTRONIC-PROPERTIES; DIRAC-FOCK; IONS; CLUSTER; LEVEL AB {Np(VI)O(2)Cl(2)g}{(NpO2Cl)-O-V(thf)(3)}(2) is the first studied example of a polymetallic transuranic complex displaying both slow relaxation of the magnetization and effective superexchange interactions between 5f centers. The coupling constant for Np-V-Np-VI pairs is 10.8 K, more than 1 order of magnitude larger than the common values found for rare-earth ions in similar environments. The dynamic magnetic behavior displays slow relaxation of magnetization of molecular origin with an energy barrier of 140 K, which is nearly twice the size of the highest barrier found in polymetallic clusters of the d block. Our observations also suggest that future actinide-based molecular magnets will have very different behavior to lanthanide-based clusters. C1 [Magnani, N.; Colineau, E.; Eloirdi, R.; Griveau, J. -C.; Caciuffo, R.] Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany. [Cornet, S. M.; May, I.; Sharrad, C. A.] Univ Manchester, Sch Chem, Ctr Radiochem Res, Manchester M13 9PL, Lancs, England. [Collison, D.; Winpenny, R. E. P.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. RP Magnani, N (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Actinide Chem Grp, 1 Cyclotron Rd MS 70A1150, Berkeley, CA 94720 USA. EM Roberto.Caciuffo@ec.europa.eu RI Sharrad, Clint/E-2499-2017; OI Sharrad, Clint/0000-0001-7372-8666; Caciuffo, Roberto G. M./0000-0002-8708-6219 FU European Commission [ACT-07-1] FX The European Commission is gratefully acknowledged for financial support under the Project No. ACT-07-1 of the ACTINET Network of Excellence and in the frame of the program "Training and Mobility of Researchers''. NR 24 TC 39 Z9 40 U1 0 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 14 PY 2010 VL 104 IS 19 AR 197202 DI 10.1103/PhysRevLett.104.197202 PG 4 WC Physics, Multidisciplinary SC Physics GA 596QH UT WOS:000277699600048 PM 20866994 ER PT J AU Sanchez, PD Lees, JP Poireau, V Prencipe, E Tisserand, V Tico, JG Grauges, E Martinelli, M Palano, A Pappagallo, M Eigen, G Stugu, B Sun, L Battaglia, M Brown, DN Hooberman, B Kerth, LT Kolomensky, YG Lynch, G Osipenkov, IL Tanabe, T Hawkes, CM Soni, N Watson, AT Koch, H Schroeder, T Asgeirsson, DJ Hearty, C Mattison, TS McKenna, JA Khan, A Randle-Conde, A Blinov, VE Buzykaev, AR Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Yushkov, AN Bondioli, M Curry, S Kirkby, D Lankford, AJ Mandelkern, M Martin, EC Stoker, DP Atmacan, H Gary, JW Liu, F Long, O Vitug, GM Yasin, Z Sharma, V Campagnari, C Hong, TM Kovalskyi, D Richman, JD Eisner, AM Heusch, CA Kroseberg, J Lockman, WS Martinez, AJ Schalk, T Schumm, BA Seiden, A Winstrom, LO Cheng, CH Doll, DA Echenard, B Hitlin, DG Ongmongkolkul, P Porter, FC Rakitin, AY Andreassen, R Dubrovin, MS Mancinelli, G Meadows, BT Sokoloff, MD Bloom, PC Ford, WT Gaz, A Hirschauer, JF Nagel, M Nauenberg, U Smith, JG Wagner, SR Ayad, R Toki, WH Hauke, A Jasper, H Karbach, TM Merkel, J Petzold, A Spaan, B Wacker, K Kobel, MJ Schubert, KR Schwierz, R Bernard, D Verderi, M Clark, PJ Playfer, S Watson, JE Andreotti, M Bettoni, D Bozzi, C Calabrese, R Cecchi, A Cibinetto, G Fioravanti, E Franchini, P Luppi, E Munerato, M Negrini, M Petrella, A Piemontese, L Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Nicolaci, M Pacetti, S Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Contri, R Guido, E Lo Vetere, M Monge, MR Passaggio, S Patrignani, C Robutti, E Tosi, S Bhuyan, B Morii, M Adametz, A Marks, J Schenk, S Uwer, U Bernlochner, FU Lacker, HM Lueck, T Volk, A Dauncey, PD Tibbetts, M Behera, PK Mallik, U Chen, C Cochran, J Crawley, HB Dong, L Meyer, WT Prell, S Rosenberg, EI Rubin, AE Gao, YY Gritsan, AV Guo, ZJ Arnaud, N Davier, M Derkach, D da Costa, JF Grosdidier, G Le Diberder, F Lutz, AM Malaescu, B Perez, A Roudeau, P Schune, MH Serrano, J Sordini, V Stocchi, A Wang, L Wormser, G Lange, DJ Wright, DM Bingham, I Burke, JP Chavez, CA Coleman, JP Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ Di Lodovico, F Sacco, R Sigamani, M Cowan, G Paramesvaran, S Wren, AC Brown, DN Davis, CL Denig, AG Fritsch, M Gradl, W Hafner, A Alwyn, KE Bailey, D Barlow, RJ Jackson, G Lafferty, GD West, TJ Anderson, J Cenci, R Jawahery, A Roberts, DA Simi, G Tuggle, JM Dallapiccola, C Salvati, E Cowan, R Dujmic, D Fisher, PH Sciolla, G Yamamoto, RK Zhao, M Patel, PM Robertson, SH Schram, M Biassoni, P Lazzaro, A Lombardo, V Palombo, F Stracka, S Cremaldi, L Godang, R Kroeger, R Sonnek, P Summers, DJ Zhao, HW Nguyen, X Simard, M Taras, P De Nardo, G Monorchio, D Onorato, G Sciacca, C Raven, G Snoek, HL Jessop, CP Knoepfel, KJ LoSecco, JM Wang, WF Corwin, LA Honscheid, K Kass, R Morris, JP Rahimi, AM Blount, NL Brau, J Frey, R Igonkina, O Kolb, JA Rahmat, R Sinev, NB Strom, D Strube, J Torrence, E Castelli, G Feltresi, E Gagliardi, N Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Ben-Haim, E Bonneaud, GR Briand, H Chauveau, J Hamon, O Leruste, P Marchiori, G Ocariz, J Prendki, J Sitt, S Biasini, M Manoni, E Angelini, C Batignani, G Bettarini, S Calderini, G Carpinelli, M Cervelli, A Forti, F Giorgi, MA Lusiani, A Neri, N Paoloni, E Rizzo, G Walsh, JJ Pegna, DL Lu, C Olsen, J Smith, AJS Telnov, AV Anulli, F Baracchini, E Cavoto, G Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Gioi, LL Mazzoni, MA Piredda, G Renga, F Ebert, M Hartmann, T Leddig, T Schroder, H Waldi, R Adye, T Franek, B Olaiya, EO Wilson, FF Emery, S de Monchenault, GH Vasseur, G Yeche, C Zito, M Allen, MT Aston, D Bard, DJ Bartoldus, R Benitez, JF Cartaro, C Convery, MR Dorfan, J Dubois-Felsmann, GP Dunwoodie, W Field, RC Sevilla, MF Fulsom, BG Gabareen, AM Graham, MT Grenier, P Hast, C Innes, WR Kelsey, MH Kim, H Kim, P Kocian, ML Leith, DWGS Li, S Lindquist, B Luitz, S Luth, V Lynch, HL MacFarlane, DB Marsiske, H Muller, DR Neal, H Nelson, S O'Grady, CP Ofte, I Perl, M Ratcliff, BN Roodman, A Salnikov, AA Santoro, V Schindler, RH Schwiening, J Snyder, A Su, D Sullivan, MK Suzuki, K Thompson, JM Va'vra, J Wagner, AP Weaver, M West, CA Wisniewski, WJ Wittgen, M Wright, DH Wulsin, HW Yarritu, AK Young, CC Ziegler, V Chen, XR Park, W Purohit, MV White, RM Wilson, JR Sekula, SJ Bellis, M Burchat, PR Edwards, AJ Miyashita, TS Ahmed, S Alam, MS Ernst, JA Pan, B Saeed, MA Zain, SB Guttman, N Soffer, A Lund, P Spanier, SM Eckmann, R Ritchie, JL Ruland, AM Schilling, CJ Schwitters, RF Wray, BC Izen, JM Lou, XC Bianchi, F Gamba, D Pelliccioni, M Bomben, M Della Ricca, G Lanceri, L Vitale, L Azzolini, V Lopez-March, N Martinez-Vidal, F Milanes, DA Oyanguren, A Albert, J Banerjee, S Choi, HHF Hamano, K King, GJ Kowalewski, R Lewczuk, MJ Nugent, IM Roney, JM Sobie, RJ Gershon, TJ Harrison, PF Ilic, J Latham, TE Mohanty, GB Puccio, EMT Band, HR Chen, X Dasu, S Flood, KT Pan, Y Pierini, M Prepost, R Vuosalo, CO Wu, SL AF Sanchez, P. del Amo Lees, J. P. Poireau, V. Prencipe, E. Tisserand, V. Tico, J. Garra Grauges, E. Martinelli, M. Palano, A. Pappagallo, M. Eigen, G. Stugu, B. Sun, L. Battaglia, M. Brown, D. N. Hooberman, B. Kerth, L. T. Kolomensky, Yu. G. Lynch, G. Osipenkov, I. L. Tanabe, T. Hawkes, C. M. Soni, N. Watson, A. T. Koch, H. Schroeder, T. Asgeirsson, D. J. Hearty, C. Mattison, T. S. McKenna, J. A. Khan, A. Randle-Conde, A. Blinov, V. E. Buzykaev, A. R. Druzhinin, V. P. Golubev, V. B. Onuchin, A. P. Serednyakov, S. I. Skovpen, Yu. I. Solodov, E. P. Todyshev, K. Yu. Yushkov, A. N. Bondioli, M. Curry, S. Kirkby, D. Lankford, A. J. Mandelkern, M. Martin, E. C. Stoker, D. P. Atmacan, H. Gary, J. W. Liu, F. Long, O. Vitug, G. M. Yasin, Z. Sharma, V. Campagnari, C. Hong, T. M. Kovalskyi, D. Richman, J. D. Eisner, A. M. Heusch, C. A. Kroseberg, J. Lockman, W. S. Martinez, A. J. Schalk, T. Schumm, B. A. Seiden, A. Winstrom, L. O. Cheng, C. H. Doll, D. A. Echenard, B. Hitlin, D. G. Ongmongkolkul, P. Porter, F. C. Rakitin, A. Y. Andreassen, R. Dubrovin, M. S. Mancinelli, G. Meadows, B. T. Sokoloff, M. D. Bloom, P. C. Ford, W. T. Gaz, A. Hirschauer, J. F. Nagel, M. Nauenberg, U. Smith, J. G. Wagner, S. R. Ayad, R. Toki, W. H. Hauke, A. Jasper, H. Karbach, T. M. Merkel, J. Petzold, A. Spaan, B. Wacker, K. Kobel, M. J. Schubert, K. R. Schwierz, R. Bernard, D. Verderi, M. Clark, P. J. Playfer, S. Watson, J. E. Andreotti, M. Bettoni, D. Bozzi, C. Calabrese, R. Cecchi, A. Cibinetto, G. Fioravanti, E. Franchini, P. Luppi, E. Munerato, M. Negrini, M. Petrella, A. Piemontese, L. Baldini-Ferroli, R. Calcaterra, A. de Sangro, R. Finocchiaro, G. Nicolaci, M. Pacetti, S. Patteri, P. Peruzzi, I. M. Piccolo, M. Rama, M. Zallo, A. Contri, R. Guido, E. Lo Vetere, M. Monge, M. R. Passaggio, S. Patrignani, C. Robutti, E. Tosi, S. Bhuyan, B. Morii, M. Adametz, A. Marks, J. Schenk, S. Uwer, U. Bernlochner, F. U. Lacker, H. M. Lueck, T. Volk, A. Dauncey, P. D. Tibbetts, M. Behera, P. K. Mallik, U. Chen, C. Cochran, J. Crawley, H. B. Dong, L. Meyer, W. T. Prell, S. Rosenberg, E. I. Rubin, A. E. Gao, Y. Y. Gritsan, A. V. Guo, Z. J. Arnaud, N. Davier, M. Derkach, D. da Costa, J. Firmino Grosdidier, G. Le Diberder, F. Lutz, A. M. Malaescu, B. Perez, A. Roudeau, P. Schune, M. H. Serrano, J. Sordini, V. Stocchi, A. Wang, L. Wormser, G. Lange, D. J. Wright, D. M. Bingham, I. Burke, J. P. Chavez, C. A. Coleman, J. P. Fry, J. R. Gabathuler, E. Gamet, R. Hutchcroft, D. E. Payne, D. J. Touramanis, C. Bevan, A. J. Di Lodovico, F. Sacco, R. Sigamani, M. Cowan, G. Paramesvaran, S. Wren, A. C. Brown, D. N. Davis, C. L. Denig, A. G. Fritsch, M. Gradl, W. Hafner, A. Alwyn, K. E. Bailey, D. Barlow, R. J. Jackson, G. Lafferty, G. D. West, T. J. Anderson, J. Cenci, R. Jawahery, A. Roberts, D. A. Simi, G. Tuggle, J. M. Dallapiccola, C. Salvati, E. Cowan, R. Dujmic, D. Fisher, P. H. Sciolla, G. Yamamoto, R. K. Zhao, M. Patel, P. M. Robertson, S. H. Schram, M. Biassoni, P. Lazzaro, A. Lombardo, V. Palombo, F. Stracka, S. Cremaldi, L. Godang, R. Kroeger, R. Sonnek, P. Summers, D. J. Zhao, H. W. Nguyen, X. Simard, M. Taras, P. De Nardo, G. Monorchio, D. Onorato, G. Sciacca, C. Raven, G. Snoek, H. L. Jessop, C. P. Knoepfel, K. J. LoSecco, J. M. Wang, W. F. Corwin, L. A. Honscheid, K. Kass, R. Morris, J. P. Rahimi, A. M. Blount, N. L. Brau, J. Frey, R. Igonkina, O. Kolb, J. A. Rahmat, R. Sinev, N. B. Strom, D. Strube, J. Torrence, E. Castelli, G. Feltresi, E. Gagliardi, N. Margoni, M. Morandin, M. Posocco, M. Rotondo, M. Simonetto, F. Stroili, R. Ben-Haim, E. Bonneaud, G. R. Briand, H. Chauveau, J. Hamon, O. Leruste, Ph. Marchiori, G. Ocariz, J. Prendki, J. Sitt, S. Biasini, M. Manoni, E. Angelini, C. Batignani, G. Bettarini, S. Calderini, G. Carpinelli, M. Cervelli, A. Forti, F. Giorgi, M. A. Lusiani, A. Neri, N. Paoloni, E. Rizzo, G. Walsh, J. J. Pegna, D. Lopes Lu, C. Olsen, J. Smith, A. J. S. Telnov, A. V. Anulli, F. Baracchini, E. Cavoto, G. Faccini, R. Ferrarotto, F. Ferroni, F. Gaspero, M. Gioi, L. Li Mazzoni, M. A. Piredda, G. Renga, F. Ebert, M. Hartmann, T. Leddig, T. Schroeder, H. Waldi, R. Adye, T. Franek, B. Olaiya, E. O. Wilson, F. F. Emery, S. de Monchenault, G. Hamel Vasseur, G. Yeche, Ch. Zito, M. Allen, M. T. Aston, D. Bard, D. J. Bartoldus, R. Benitez, J. F. Cartaro, C. Convery, M. R. Dorfan, J. Dubois-Felsmann, G. P. Dunwoodie, W. Field, R. C. Sevilla, M. Franco Fulsom, B. G. Gabareen, A. M. Graham, M. T. Grenier, P. Hast, C. Innes, W. R. Kelsey, M. H. Kim, H. Kim, P. Kocian, M. L. Leith, D. W. G. S. Li, S. Lindquist, B. Luitz, S. Luth, V. Lynch, H. L. MacFarlane, D. B. Marsiske, H. Muller, D. R. Neal, H. Nelson, S. O'Grady, C. P. Ofte, I. Perl, M. Ratcliff, B. N. Roodman, A. Salnikov, A. A. Santoro, V. Schindler, R. H. Schwiening, J. Snyder, A. Su, D. Sullivan, M. K. Suzuki, K. Thompson, J. M. Va'vra, J. Wagner, A. P. Weaver, M. West, C. A. Wisniewski, W. J. Wittgen, M. Wright, D. H. Wulsin, H. W. Yarritu, A. K. Young, C. C. Ziegler, V. Chen, X. R. Park, W. Purohit, M. V. White, R. M. Wilson, J. R. Sekula, S. J. Bellis, M. Burchat, P. R. Edwards, A. J. Miyashita, T. S. Ahmed, S. Alam, M. S. Ernst, J. A. Pan, B. Saeed, M. A. Zain, S. B. Guttman, N. Soffer, A. Lund, P. Spanier, S. M. Eckmann, R. Ritchie, J. L. Ruland, A. M. Schilling, C. J. Schwitters, R. F. Wray, B. C. Izen, J. M. Lou, X. C. Bianchi, F. Gamba, D. Pelliccioni, M. Bomben, M. Della Ricca, G. Lanceri, L. Vitale, L. Azzolini, V. Lopez-March, N. Martinez-Vidal, F. Milanes, D. A. Oyanguren, A. Albert, J. Banerjee, Sw. Choi, H. H. F. Hamano, K. King, G. J. Kowalewski, R. Lewczuk, M. J. Nugent, I. M. Roney, J. M. Sobie, R. J. Gershon, T. J. Harrison, P. F. Ilic, J. Latham, T. E. Mohanty, G. B. Puccio, E. M. T. Band, H. R. Chen, X. Dasu, S. Flood, K. T. Pan, Y. Pierini, M. Prepost, R. Vuosalo, C. O. Wu, S. L. CA BaBar Collaboration TI Test of Lepton Universality in Y(1S) Decays at BABAR SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHYSICS AB The ratio R-tau mu(Y(1S)) = Gamma Y(1S)->tau(+)tau(-)/Gamma(+)(-)(Y(1S)->mu)(mu) is measured using a sample of (121.8 +/- 1.2) x 10(6)Y(3S) events recorded by the BABAR detector. This measurement is intended as a test of lepton universality and as a search for a possible light pseudoscalar Higgs boson. In the standard model (SM) this ratio is expected to be close to 1. Any significant deviations would violate lepton universality and could be introduced by the coupling to a light pseudoscalar Higgs boson. The analysis studies the decays Y(3S) -> Y(1S)pi(+)pi(-), Y(1S) -> l(+)l(-), where l = mu, tau. The result, R-tau mu (Y(1S)) = 1.005 +/- 0.013(stat) +/- 0.022(syst), shows no deviation from the expected SM value, while improving the precision with respect to previous measurements. C1 [Sanchez, P. del Amo; Lees, J. 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H.; Serrano, J.; Sordini, V.; Stocchi, A.; Wang, L.; Wormser, G.] CNRS, IN2P3, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Arnaud, N.; Davier, M.; Derkach, D.; da Costa, J. Firmino; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Perez, A.; Roudeau, P.; Schune, M. H.; Serrano, J.; Sordini, V.; Stocchi, A.; Wang, L.; Wormser, G.] Univ Paris 11, Ctr Sci Orsay, F-91898 Orsay, France. [Lange, D. J.; Wright, D. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bingham, I.; Burke, J. P.; Chavez, C. A.; Coleman, J. P.; Fry, J. R.; Gabathuler, E.; Gamet, R.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Bevan, A. J.; Di Lodovico, F.; Sacco, R.; Sigamani, M.] Univ London, London E1 4NS, England. [Cowan, G.; Paramesvaran, S.; Wren, A. C.] Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. [Brown, D. N.; Davis, C. L.] Univ Louisville, Louisville, KY 40292 USA. [Denig, A. G.; Fritsch, M.; Gradl, W.; Hafner, A.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany. [Alwyn, K. E.; Bailey, D.; Barlow, R. J.; Jackson, G.; Lafferty, G. D.; West, T. J.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Anderson, J.; Cenci, R.; Jawahery, A.; Roberts, D. A.; Simi, G.; Tuggle, J. M.] Univ Maryland, College Pk, MD 20742 USA. [Dallapiccola, C.; Salvati, E.] Univ Massachusetts, Amherst, MA 01003 USA. [Cowan, R.; Dujmic, D.; Fisher, P. H.; Sciolla, G.; Yamamoto, R. K.; Zhao, M.] MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. [Patel, P. M.; Robertson, S. H.; Schram, M.] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Biassoni, P.; Lazzaro, A.; Lombardo, V.; Palombo, F.; Stracka, S.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Biassoni, P.; Lazzaro, A.; Palombo, F.; Stracka, S.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Cremaldi, L.; Godang, R.; Kroeger, R.; Sonnek, P.; Summers, D. J.; Zhao, H. W.] Univ Mississippi, University, MS 38677 USA. [Nguyen, X.; Simard, M.; Taras, P.] Univ Montreal, Montreal, PQ H3C 3J7, Canada. [De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.] Ist Nazl Fis Nucl, Sez Napoli, I-80126 Naples, Italy. [De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.] Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. [Raven, G.; Snoek, H. L.] Natl Inst Nucl Phys & High Energy Phys, NIKHEF, NL-1009 DB Amsterdam, Netherlands. [Jessop, C. P.; Knoepfel, K. J.; LoSecco, J. M.; Wang, W. F.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Corwin, L. A.; Honscheid, K.; Kass, R.; Morris, J. P.; Rahimi, A. M.] Ohio State Univ, Columbus, OH 43210 USA. [Blount, N. L.; Brau, J.; Frey, R.; Igonkina, O.; Kolb, J. A.; Rahmat, R.; Sinev, N. B.; Strom, D.; Strube, J.; Torrence, E.] Univ Oregon, Eugene, OR 97403 USA. [Castelli, G.; Feltresi, E.; Gagliardi, N.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Castelli, G.; Feltresi, E.; Gagliardi, N.; Margoni, M.; Simonetto, F.; Stroili, R.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. [Ben-Haim, E.; Bonneaud, G. R.; Briand, H.; Chauveau, J.; Hamon, O.; Leruste, Ph.; Marchiori, G.; Ocariz, J.; Prendki, J.; Sitt, S.; Calderini, G.] Univ Paris 07, Univ Paris 06, CNRS, Lab Phys Nucl & Hautes Energies,IN2P3, Paris, France. [Biasini, M.; Manoni, E.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Peruzzi, I. M.; Biasini, M.; Manoni, E.] Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. [Angelini, C.; Batignani, G.; Bettarini, S.; Calderini, G.; Carpinelli, M.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Neri, N.; Paoloni, E.; Rizzo, G.; Walsh, J. J.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Angelini, C.; Batignani, G.; Bettarini, S.; Calderini, G.; Carpinelli, M.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Neri, N.; Paoloni, E.; Rizzo, G.] Univ Pisa, Dipartimento Fis, I-56127 Pisa, Italy. [Lusiani, A.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Pegna, D. Lopes; Lu, C.; Olsen, J.; Smith, A. J. S.; Telnov, A. V.] Princeton Univ, Princeton, NJ 08544 USA. [Anulli, F.; Baracchini, E.; Cavoto, G.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Gioi, L. Li; Mazzoni, M. A.; Piredda, G.; Renga, F.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Baracchini, E.; Faccini, R.; Ferroni, F.; Gaspero, M.; Renga, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Ebert, M.; Hartmann, T.; Leddig, T.; Schroeder, H.; Waldi, R.] Univ Rostock, D-18051 Rostock, Germany. [Adye, T.; Franek, B.; Olaiya, E. O.; Wilson, F. F.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Emery, S.; de Monchenault, G. Hamel; Vasseur, G.; Yeche, Ch.; Zito, M.] CEA, SPP, Ctr Saclay, F-91191 Gif Sur Yvette, France. [Allen, M. T.; Aston, D.; Bard, D. J.; Bartoldus, R.; Benitez, J. F.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Field, R. C.; Sevilla, M. Franco; Fulsom, B. G.; Gabareen, A. M.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.; Kelsey, M. H.; Kim, H.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Li, S.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Marsiske, H.; Muller, D. R.; Neal, H.; Nelson, S.; O'Grady, C. P.; Ofte, I.; Perl, M.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Santoro, V.; Schindler, R. H.; Schwiening, J.; Snyder, A.; Su, D.; Sullivan, M. K.; Suzuki, K.; Thompson, J. M.; Va'vra, J.; Wagner, A. P.; Weaver, M.; West, C. A.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Yarritu, A. K.; Young, C. C.; Ziegler, V.] SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. [Chen, X. R.; Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Sekula, S. J.] So Methodist Univ, Dallas, TX 75275 USA. [Bellis, M.; Burchat, P. R.; Edwards, A. J.; Miyashita, T. S.; Ahmed, S.; Alam, M. S.; Ernst, J. A.; Pan, B.; Saeed, M. A.; Zain, S. B.] Stanford Univ, Stanford, CA 94305 USA. [Ahmed, S.; Alam, M. S.; Ernst, J. A.; Pan, B.; Saeed, M. A.; Zain, S. B.] SUNY Albany, Albany, NY 12222 USA. [Guttman, N.; Soffer, A.] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Lund, P.; Spanier, S. M.] Univ Tennessee, Knoxville, TN 37996 USA. [Eckmann, R.; Ritchie, J. L.; Ruland, A. M.; Schilling, C. J.; Schwitters, R. F.; Wray, B. C.] Univ Texas Austin, Austin, TX 78712 USA. [Izen, J. M.; Lou, X. C.] Univ Texas Dallas, Richardson, TX 75083 USA. [Bianchi, F.; Gamba, D.; Pelliccioni, M.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Bianchi, F.; Gamba, D.; Pelliccioni, M.] Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. [Bomben, M.; Della Ricca, G.; Lanceri, L.; Vitale, L.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Bomben, M.; Della Ricca, G.; Lanceri, L.; Vitale, L.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Azzolini, V.; Lopez-March, N.; Martinez-Vidal, F.; Milanes, D. A.; Oyanguren, A.] Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. [Albert, J.; Banerjee, Sw.; Choi, H. H. F.; Hamano, K.; King, G. J.; Kowalewski, R.; Lewczuk, M. J.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.] Univ Victoria, Victoria, BC V8W 3P6, Canada. [Gershon, T. J.; Harrison, P. F.; Ilic, J.; Latham, T. E.; Mohanty, G. B.; Puccio, E. M. T.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Band, H. R.; Chen, X.; Dasu, S.; Flood, K. T.; Pan, Y.; Pierini, M.; Prepost, R.; Vuosalo, C. O.; Wu, S. L.] Univ Wisconsin, Madison, WI 53706 USA. [Carpinelli, M.] Univ Sassari, I-07100 Sassari, Italy. RP Sanchez, PD (reprint author), Univ Savoie, Lab Annecy Le Vieux Phys Particules, CNRS, IN2P3, F-74941 Annecy Le Vieux, France. RI Calabrese, Roberto/G-4405-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Stracka, Simone/M-3931-2015; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; de Sangro, Riccardo/J-2901-2012; Saeed, Mohammad Alam/J-7455-2012; Della Ricca, Giuseppe/B-6826-2013; Negrini, Matteo/C-8906-2014; Patrignani, Claudia/C-5223-2009; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; White, Ryan/E-2979-2015; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012 OI Raven, Gerhard/0000-0002-2897-5323; Calabrese, Roberto/0000-0002-1354-5400; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Stracka, Simone/0000-0003-0013-4714; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; de Sangro, Riccardo/0000-0002-3808-5455; Saeed, Mohammad Alam/0000-0002-3529-9255; Della Ricca, Giuseppe/0000-0003-2831-6982; Negrini, Matteo/0000-0003-0101-6963; Patrignani, Claudia/0000-0002-5882-1747; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; White, Ryan/0000-0003-3589-5900; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163 FU DOE; NSF (USA); NSERC (Canada); CEA; CNRS- IN2P3 (France); BMBF; DFG (Germany); INFN (Italy); FOM (The Netherlands); NFR (Norway); MES (Russia); MEC (Spain); STFC (United Kingdom); European Union; A.P. Sloan Foundation FX We are grateful for the excellent luminosity and machine conditions provided by our PEP-II colleagues, and for the substantial dedicated effort from the computing organizations that support BABAR. The collaborating institutions wish to thank SLAC for its support and kind hospitality. This work is supported by DOE and NSF (USA), NSERC (Canada), CEA and CNRS- IN2P3 (France), BMBF and DFG (Germany), INFN (Italy), FOM (The Netherlands), NFR (Norway), MES (Russia), MEC (Spain), and STFC (United Kingdom). Individuals have received support from the Marie Curie EIF (European Union) and the A.P. Sloan Foundation. NR 20 TC 10 Z9 10 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 14 PY 2010 VL 104 IS 19 AR 191801 DI 10.1103/PhysRevLett.104.191801 PG 7 WC Physics, Multidisciplinary SC Physics GA 596QH UT WOS:000277699600013 ER PT J AU Skinner, LB Chae, SR Benmore, CJ Wenk, HR Monteiro, PJM AF Skinner, L. B. Chae, S. R. Benmore, C. J. Wenk, H. R. Monteiro, P. J. M. TI Nanostructure of Calcium Silicate Hydrates in Cements SO PHYSICAL REVIEW LETTERS LA English DT Article ID C-S-H; PORTLAND-CEMENT; PASTE; MODEL; GELS; MESOSTRUCTURE; NANOSCALE AB Calcium silicate hydrate (CSH) is the major volume phase in the matrix of Portland cement concrete. Total x-ray scattering measurements with synchrotron x rays on synthetic CSH(I) shows nanocrystalline ordering with a particle diameter of 3.5(5) nm, similar to a size- broadened 1.1 nm tobermorite crystal structure. The CSH component in hydrated tricalcium silicate is found to be similar to CSH(I). Only a slight bend and additional disorder within the CaO sheets is required to explain its nanocrystalline structure. C1 [Skinner, L. B.; Chae, S. R.; Monteiro, P. J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Benmore, C. J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Wenk, H. R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@ce.berkeley.edu RI Skinner, Lawrie/I-2603-2012; OI Skinner, Lawrie/0000-0001-7317-1642; Benmore, Chris/0000-0001-7007-7749 FU King Abdullah University of Science and Technology (KAUST) [KUS-11-004021]; U.S. DOE, Argonne National Laboratory [DE-AC02-06CH11357] FX This publication was based on work supported in part by Grant No. KUS-11-004021, made by King Abdullah University of Science and Technology (KAUST). This work was supported by the U.S. DOE, Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Also, thanks to Dr. Simon Clark, Dr. Juyoung Ha, Cagla Meral, and Elizabeth Mannering for their help with the production of this paper; and to Gordon Chan and Dr. Laila Raki for their help with the sample synthesis. NR 18 TC 76 Z9 77 U1 6 U2 65 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 14 PY 2010 VL 104 IS 19 AR 195502 DI 10.1103/PhysRevLett.104.195502 PG 4 WC Physics, Multidisciplinary SC Physics GA 596QH UT WOS:000277699600029 PM 20866975 ER PT J AU Wu, W Liu, YG AF Wu, Wei Liu, Yangang TI RADIATION ENTROPY FLUX AND ENTROPY PRODUCTION OF THE EARTH SYSTEM SO REVIEWS OF GEOPHYSICS LA English DT Review ID BALANCE CLIMATE MODELS; ENERGY-BALANCE; CONVECTIVE EQUILIBRIUM; GLOBAL CLIMATE; SURFACE-TEMPERATURE; HEAT-TRANSPORT; WATER-VAPOR; THERMODYNAMICS; ATMOSPHERE; SENSITIVITY AB The study of the Earth's radiation entropy flux at the top of the atmosphere is reviewed with an emphasis on its estimation methods. Existing expressions for calculating radiation entropy flux scattered in different disciplines are surveyed, and their applicabilities are examined. It is found that the Earth's net radiation entropy flux estimated from these various expressions can differ substantially, more than the typical value of the entropy production rate associated with the atmospheric latent heat process. Comparison analysis shows that the commonly used expression of radiation entropy flux as the ratio of radiation energy flux to absolute temperature underestimates the Earth's radiation entropy flux by >30%. Theoretical analysis reveals that the large difference in the Earth's reflected solar radiation entropy flux among the different expressions arises mainly from the difference of the Earth's reflection properties (i.e., Lambertian or specular) assumed in these expressions. For the Earth system with typical shortwave albedo of 0.30 and longwave emissivity between 0.50 and 1.00, the Earth's net radiation entropy flux derived from the most accurate Planck's spectral expression ranges from 1.272 to 1.284 W m(-2) K(-1), amounting to the overall Earth's entropy production rate from 6.481 x 10(14) to 6.547 x 10(14) WK(-1). C1 [Wu, Wei; Liu, Yangang] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wu, W (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM wwu@bnl.gov RI Liu, Yangang/H-6154-2011; Wu, Wei/D-6766-2013 FU U.S. Department of Energy FX This work is supported by the Brookhaven National Laboratory (BNL) Laboratory Directed Research and Development Program and the Atmospheric Radiation Measurements Program of the U.S. Department of Energy. We are grateful to Stephen E. Schwartz, Warren Wiscombe, and Dong Huang at BNL for their valuable comments and discussions. We are indebted to Gerald R. North at Texas A&M University and the anonymous reviewers for their constructive comments and suggestions. NR 74 TC 14 Z9 15 U1 1 U2 12 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 8755-1209 J9 REV GEOPHYS JI Rev. Geophys. PD MAY 14 PY 2010 VL 48 AR RG2003 DI 10.1029/2008RG000275 PG 27 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 596TR UT WOS:000277708900001 ER PT J AU Greene, DL AF Greene, David Lloyd TI Oil Panic and the Global Crisis Predictions and Myths SO SCIENCE LA English DT Book Review C1 [Greene, David Lloyd] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Energy & Transportat Sci Div, Knoxville, TN 37932 USA. RP Greene, DL (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, Energy & Transportat Sci Div, 2360 Cherhala Blvd, Knoxville, TN 37932 USA. EM dlgreene@ornl.gov NR 1 TC 2 Z9 2 U1 1 U2 3 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD MAY 14 PY 2010 VL 328 IS 5980 BP 828 EP 828 DI 10.1126/science.1189537 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 595NT UT WOS:000277618800022 ER PT J AU Jasper, AW Klippenstein, SJ Harding, LB AF Jasper, Ahren W. Klippenstein, Stephen J. Harding, Lawrence B. TI The Effect of Spin-Orbit Splitting on the Association Kinetics of Barrier less Halogen Atom-Hydrocarbon Radical Reactions SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID MULTIREFERENCE PERTURBATION-THEORY; TRANSITION-STATE THEORY; CONSISTENT BASIS-SETS; WAVE-FUNCTIONS; METHANOL DECOMPOSITION; PREDICTIVE THEORY; HYDROGEN; AFFINITIES; PRESSURE; SURFACES AB The effect of the geometry dependence of spin-orbit splitting on transition state theory (TST) predictions for radical-radical recombination rate coefficients is examined. The effects are illustrated with direct ab initio variable-reaction-coordinate (VRC)-TST calculations for the reactions of two types or hydrocarbon radicals (R = CH(3) and CH(2)CHCH(2)) with three halogen atoms (X = F, Cl, and Br). These halogen atoms exhibit a range of spin-orbit interaction strengths, while their interactions with the two hydrocarbon radicals exhibit a range of attractiveness. The transition state dividing surfaces for these barrierless reactions occur over a range of R-X fragment separations (similar to 3-7 angstrom) where the magnitude of the spin-orbit splitting is strongly geometry dependent. Perturbative models for incorporating the energetic effect of spin-orbit splitting into barrierless kinetics are presented and tested. Simply neglecting the variation in the spin-orbit splitting is demonstrated to contribute an error of less than 15% to the predicted rate coefficients for all but the CH(2)CHCH(2) + Br reaction, where its neglect increases the rate by up to a factor of 2. For the CH(2)CHCH(2) + Br reaction, the effect of spin-orbit splitting is not perturbative and instead qualitatively changes the long-range interaction potential and association dynamics. The present theoretical predictions are compared with available experimental measurements and previous theoretical work. For the CH(3) + F association reaction, the errors associated with limitations in the basis set and in the active space are studied, and a detailed comparison is made between VRC-TST and rigid rotor-harmonic oscillator variational TST. C1 [Jasper, Ahren W.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Klippenstein, Stephen J.; Harding, Lawrence B.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Jasper, AW (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969, Livermore, CA 94551 USA. EM ajasper@sandia.gov RI Jasper, Ahren/A-5292-2011; OI Klippenstein, Stephen/0000-0001-6297-9187 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-06CH11357, DE-AC04-94-AL85000] FX The authors would like to thank Yuri Georgievskii for many helpful interactions. This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. The work at Argonne was supported by contract number DE-AC02-06CH11357. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94-AL85000. NR 35 TC 21 Z9 21 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 13 PY 2010 VL 114 IS 18 BP 5759 EP 5768 DI 10.1021/jp1015092 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 591DX UT WOS:000277280400017 PM 20392102 ER PT J AU LaBrosse, MR Johnson, JK van Duin, ACT AF LaBrosse, Matthew R. Johnson, J. Karl van Duin, Adri C. T. TI Development of a Transferable Reactive Force Field for Cobalt SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ULTRASOFT PSEUDOPOTENTIALS; REAXFF; TRANSITION; HYDROGEN; METALS; DISSOCIATION; SIMULATIONS AB ReaxFF provides a method to describe bond-breaking and bond-forming events that can be applied to large-scale molecular dynamics simulations. This article describes the development of a ReaxFF potential for cobalt. This potential is transferable to a wide variety of cobalt systems, including various crystal structures, surfaces, clusters, and defects. The potential parameters were obtained from an extensive set of ab initio calculations. We have tested these parameters against additional DFT calculations not included in the fitting data set and found that ReaxFF provides similar or superior agreement with the DFT results compared to accepted embedded atom method descriptions for Co. We validated this potential by performing large-scale molecular dynamics simulations to predict the melting point, diffusion coefficients for the liquid as a function of temperature, and vacancy-mediated diffusion coefficients in the solid as a function of temperature and vacancy concentration. Results are compared with other theoretical methods and experiments where available. Since the ReaxFF method allows straightforward extensions to alloys and heterogeneous materials, including first-row elements, the ReaxFF parameters described here provide a foundation for the simulation of a wide range of Co-containing materials. 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. [van Duin, Adri C. T.] Penn State Univ, Dept Mech & Nucl Engn, State Coll, PA 16802 USA. RP Johnson, JK (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM karlj@pitt.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 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 the area of computational chemistry under the RDS contract DE-AC26-04NT41817. We thank Dr. William A. Goddard III and the MPSC at Caltech for training and use of ReaxFF, Dr. Dan Sorescu for many useful discussions, and the University of Pittsburgh Center for Simulation and Modeling for computational resources. NR 50 TC 19 Z9 19 U1 2 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 13 PY 2010 VL 114 IS 18 BP 5855 EP 5861 DI 10.1021/jp911867r PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 591DX UT WOS:000277280400028 PM 20394398 ER PT J AU Dag, S Wang, LW AF Dag, Sefa Wang, Lin-Wang TI Packing Structure of Poly(3-hexylthiophene) Crystal: Ab Initio and Molecular Dynamics Studies SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID THIN-FILM TRANSISTORS; POLY(3-ALKYLTHIOPHENES); POLYTHIOPHENES; PERFORMANCE; STACKING; FORCE AB We present a theoretical study of the stacking properties of poly(3-hexylthiophene) (P3HT) and its effect on the electronic and transport properties. Our study is based on ab initio density functional calculations including van der Waals interactions and molecular dynamics simulations. Our calculations provide detailed information of the atomic structures and the formation mechanisms of the particular stacking structures. We found the most stable stacking structure produces a relatively small hole effective mass in the stacking direction, which allows large interchain mobility. C1 [Dag, Sefa; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Lab, Sci Comp Grp, Computat Res Div, Berkeley, CA 94720 USA. RP Dag, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Sci Comp Grp, Computat Res Div, Berkeley, CA 94720 USA. EM sdag@lbl.gov FU DMSE/BEW/SC of the U.S. Department of Energy [DE-AC02-050-CH11231]; National Energy Scientific Computing Center (NERSC); Oak Ridge Leadership Computing Facility (OLCF; U.S. Department of Energy Innovative and Novel Computational Impact on Theory and Experiment (INCITE) FX This work is supported by the DMSE/BEW/SC of the U.S. Department of Energy under Contract DE-AC02-050-CH11231. The calculations shown in this paper used the resources of the National Energy Scientific Computing Center (NERSC), Oak Ridge Leadership Computing Facility (OLCF). This work is also supported by the U.S. Department of Energy Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. NR 23 TC 50 Z9 50 U1 1 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD MAY 13 PY 2010 VL 114 IS 18 BP 5997 EP 6000 DI 10.1021/jp1008219 PG 4 WC Chemistry, Physical SC Chemistry GA 591DY UT WOS:000277280500004 PM 20405875 ER PT J AU Innes, L Powell, MR Vlassiouk, I Martens, C Siwy, ZS AF Innes, Laura Powell, Matthew R. Vlassiouk, Ivan Martens, Craig Siwy, Zuzanna S. TI Precipitation-Induced Voltage-Dependent Ion Current Fluctuations in Conical Nanopores SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID NARROW PORES; TRANSPORT AB Single conically shaped nanopores produce stable ion current fluctuations when in contact with weakly soluble salts, such as calcium hydrogen phosphate (CaHPO(4)) and cobalt hydrogen phosphate (CoHPO(4)). The pore spontaneously switches between high and low conductance states, called open and closed states, respectively. Pore opening and closing are linked to the dynamic formation of the calcium and cobalt precipitates at the small opening of the pore. The probabilities of pore opening and closing are voltage-dependent, and this characteristic of ion current signal is known for biological voltage-gated channels. We show that new types of ion current fluctuations are obtained in conditions at which precipitates of CaHPO(4) and CoHPO(4) can form in the pore at the same time. C1 [Innes, Laura; Powell, Matthew R.; Siwy, Zuzanna S.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Vlassiouk, Ivan] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Martens, Craig] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. RP Siwy, ZS (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. EM zsiwy@uci.edu RI Vlassiouk, Ivan/F-9587-2010 OI Vlassiouk, Ivan/0000-0002-5494-0386 FU National Science Foundation [CMMI 825661]; UCI FX Single ion irradiation was performed at the Institute for Heavy Ions Research (GSI), Darmstadt, Germany. The financial support of the National Science Foundation (CMMI 825661) is greatly acknowledged. Laura Innes is grateful for the support from the UCI Undergraduate Research Opportunities Program. NR 21 TC 20 Z9 20 U1 4 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 13 PY 2010 VL 114 IS 18 BP 8126 EP 8134 DI 10.1021/jp910815p PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 591EB UT WOS:000277280800003 ER PT J AU Pao, CW Ray, SC Tsai, HM Chen, YS Chen, HC Lin, IN Pong, WF Chiou, JW Tsai, MH Shang, NG Papakonstantinou, P Guo, JH AF Pao, C. W. Ray, S. C. Tsai, H. M. Chen, Y. S. Chen, H. -C. Lin, I. -N. Pong, W. F. Chiou, J. W. Tsai, M. -H. Shang, N. G. Papakonstantinou, P. Guo, J. -H. TI Change of Structural Behaviors of Organo-Silane Exposed Graphene Nanoflakes SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; X-RAY FLUORESCENCE; CARBON NANOWALLS; BRILLOUIN-ZONE; SPECIAL POINTS; AB-INITIO; FILMS; GRAPHITE; SPECTROSCOPY; ABSORPTION AB The electronic structures of graphene nanoflakes (GNEs) exposed to an organo-silane precursor [tetramethylsilane, TMS, Si(CH(3))(4)] were studied using electron field emission (EFE), Raman spectroscopy, X-ray absorption near-edge structure (XANES), X-ray photoelectron spectroscopy (XPS), X-ray emission spectroscopy (XES), and first-principles calculation. The results of XANES, XPS, and Raman spectroscopy indicate that the silyl radical strong covalent bonds were formed in GNFs, which induced local structural relaxations and enhanced sp(3) hybridization. Comparison of calculated electronic structure, XANES, and XES spectra of Si-treated GNFs suggests that the Si atom substitutes one 3-fold coordinated C atom in a given graphene layer and relaxes outward to form sp(3) bonding with another C atom in the adjacent graphene layer. The EFE measurements show an increase in the tum-on electric field with the increase of the Si content, which suggests an enhancement of the nonmetallic sp(3) bonding. C1 [Pao, C. W.; Ray, S. C.; Tsai, H. M.; Chen, Y. S.; Chen, H. -C.; Lin, I. -N.; Pong, W. F.] Tamkang Univ, Dept Phys, Tamsui 251, Taiwan. [Ray, S. C.] Univ Witwatersrand, Sch Phys, ZA-2050 Wits, South Africa. [Chiou, J. W.] Natl Univ Kaohsiung, Dept Appl Phys, Kaohsiung 811, Taiwan. [Tsai, M. -H.] Natl Sun Yat Sen Univ, Dept Phys, Kaohsiung 804, Taiwan. [Shang, N. G.; Papakonstantinou, P.] Univ Ulster, Nanotechnol & Integrated BioEngn Ctr, Newtownabbey BT37 0QB, North Ireland. [Guo, J. -H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Ray, SC (reprint author), Tamkang Univ, Dept Phys, Tamsui 251, Taiwan. EM raysekhar@rediffmail.com; wfpong@mail.tku.edu.tw FU National Science Council of Taiwan [NSC 96-2112-M032-012-MY3]; U.S. Department of Energy [DE-AC02-050-111231] FX W.F.P. would like to thank the National Science Council of Taiwan for financially supporting this research under Contract No. NSC 96-2112-M032-012-MY3. The Advanced Light Source is supported by the U.S. Department of Energy under Contract No. DE-AC02-050-111231. NR 30 TC 9 Z9 9 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 13 PY 2010 VL 114 IS 18 BP 8161 EP 8166 DI 10.1021/jp9121563 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 591EB UT WOS:000277280800007 ER PT J AU Subbaraman, R Strmcnik, D Stamenkovic, V Markovic, NM AF Subbaraman, Ram Strmcnik, Dusan Stamenkovic, Vojislav Markovic, Nenad M. TI Three Phase Interfaces at Electrified Metal-Solid Electrolyte Systems 1. Study of the Pt(hkl)-Nafion Interface SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SINGLE-CRYSTAL ELECTRODES; PERFLUOROSULFONATED IONOMER MEMBRANES; NAFION PERFLUORINATED MEMBRANES; TRANSFORM INFRARED-SPECTROSCOPY; OXYGEN REDUCTION KINETICS; ION-EXCHANGE MEMBRANES; SULFURIC-ACID-SOLUTION; POLYMER-ELECTROLYTE; FUEL-CELLS; TRANSPORT CHARACTERISTICS AB A voltammetric fingerprinting approach has been used to probe the nature of Pt-Nafion three phase interfaces for Pt(hkl) and polycrystalline platinum surfaces. Nature of adsorbing species is identified as the sulfonate anions via CO charge displacement technique. The affinity for the sulfonate anions to adsorb on the electrode surface is investigated. Adsorption strength of the sulfonate anions with the electrode surface is compared with other strongly adsorbing anions such as (hi) sulfates and chlorides. Various factors that influence the adsorption properties of the sulfonate anions are studied. Nature and strength of the anion interaction with various surface geometries is also discussed. A physical model is presented to describe the observed phenomena. C1 [Strmcnik, Dusan; Stamenkovic, Vojislav; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Subbaraman, Ram] Argonne Natl Lab, Dept Nucl Engn, Argonne, IL 60439 USA. RP Markovic, NM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nmmarkovic@anl.gov FU Department of Energy [DE-AC03-76SF00098]; Argonne National Laboratory; U.S. Department of Energy, Office of Basic Energy Sciences, Materials Science Division [DE-AC02-06CH11357] FX The authors would like to acknowledge the Department of Energy for project funding under Contract No. DE-AC03-76SF00098. R.S. would like to acknowledge Argonne National Laboratory postdoctoral fellowship for his funding. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Science Division under Contract No. DE-AC02-06CH11357. NR 60 TC 87 Z9 87 U1 6 U2 58 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAY 13 PY 2010 VL 114 IS 18 BP 8414 EP 8422 DI 10.1021/jp100814x PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 591EB UT WOS:000277280800042 ER PT J AU Haraldsen, JT Fishman, RS AF Haraldsen, J. T. Fishman, R. S. TI Spin-wave dynamics of magnetic heterostructures: application to Dy/Y multilayers SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID RARE-EARTH METALS; NEUTRON-SCATTERING; THIN-FILMS; DISPERSION RELATION; SUPERLATTICES; DYSPROSIUM; ANISOTROPY; EXCHANGE; SURFACE; MODES AB We examine the spin-wave (SW) dynamics of Dy/Y multilayers in order to separate the contribution of the Dy-Y interface from that of bulk Dy. The SW frequencies and intensities of bulk Dy are determined analytically. When the Dy layers in a multilayer geometry are decoupled, the SW dispersion relations are discontinuous with discrete excitations. With a Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction coupling through the Y spacer, the discrete excitations become dispersive and the main SW branches split due to the multilayer geometry. Regardless of the strength of the intermediate RKKY interaction, the dispersion signature of the bulk remains. C1 [Haraldsen, J. T.; Fishman, R. S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Haraldsen, JT (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RI Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013 OI Haraldsen, Jason/0000-0002-8641-5412; FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; US Department of Energy [DE-AC05-00OR22725]; Division of Materials Science and Engineering; Division of Scientific User Facilities of the US DOE FX Special thanks to S Okamoto and A Schreyer for insightful discussions. This research was 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 and by the Division of Materials Science and Engineering and the Division of Scientific User Facilities of the US DOE. NR 42 TC 6 Z9 6 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAY 12 PY 2010 VL 22 IS 18 AR 186002 DI 10.1088/0953-8984/22/18/186002 PG 7 WC Physics, Condensed Matter SC Physics GA 585XN UT WOS:000276864000018 PM 21393696 ER PT J AU Uhoya, W Tsoi, GM Vohra, YK McGuire, MA Sefat, AS Sales, BC Mandrus, D Weir, ST AF Uhoya, Walter Tsoi, Georgiy M. Vohra, Yogesh K. McGuire, Michael A. Sefat, Athena S. Sales, Brian C. Mandrus, David Weir, Samuel T. TI Structural and magnetic phase transitions in NdCoAsO under high pressures SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID METAL AB We have investigated structural and magnetic phase transitions under high pressures in a quaternary rare-earth transition-metal arsenide oxide NdCoAsO compound that is isostructural to the high temperature superconductor parent phase NdFeAsO. The four-probe electrical resistance measurements carried out in a designer diamond anvil cell show that the ferromagnetic Curie temperature and antiferromagnetic Neel temperature increase with an increase in pressure. High pressure x-ray diffraction studies using a synchrotron source show a structural phase transition from a tetragonal phase to a new crystallographic phase at a pressure of 23 GPa at 300 K. The NdCoAsO sample remained antiferromagnetic and non-superconducting down to 10 K and up to the highest pressure achieved in this experiment, 53 GPa. A P-T phase diagram for NdCoAsO is presented from ambient conditions to P = 53 GPa and T = 10 K. C1 [Uhoya, Walter; Tsoi, Georgiy M.; Vohra, Yogesh K.] Univ Alabama, Dept Phys, Birmingham, AL 35294 USA. [McGuire, Michael A.; Sefat, Athena S.; Sales, Brian C.; Mandrus, David] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Weir, Samuel T.] LLNL, Livermore, CA 94550 USA. RP Uhoya, W (reprint author), Univ Alabama, Dept Phys, Birmingham, AL 35294 USA. RI McGuire, Michael/B-5453-2009; Weir, Samuel/H-5046-2012; Uhoya, Walter/D-5476-2014; Mandrus, David/H-3090-2014; Sefat, Athena/R-5457-2016 OI McGuire, Michael/0000-0003-1762-9406; Uhoya, Walter/0000-0002-3197-7629; Sefat, Athena/0000-0002-5596-3504 FU Carnegie/Department of Energy (DOE) Alliance Center (CDAC) [DE-FC52-08NA28554]; DOE-Basic Energy Sciences, Division of Materials Sciences and Engineering FX Walter Uhoya acknowledges support from the Carnegie/Department of Energy (DOE) Alliance Center (CDAC) under Grant No. DE-FC52-08NA28554. Work at Oak Ridge National Laboratory is supported by the DOE-Basic Energy Sciences, Division of Materials Sciences and Engineering. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. NR 11 TC 10 Z9 10 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAY 12 PY 2010 VL 22 IS 18 AR 185702 DI 10.1088/0953-8984/22/18/185702 PG 4 WC Physics, Condensed Matter SC Physics GA 585XN UT WOS:000276864000011 PM 21393689 ER PT J AU Lee, JS Bodnarchuk, MI Shevchenko, EV Talapin, DV AF Lee, Jong-Soo Bodnarchuk, Maryna I. Shevchenko, Elena V. Talapin, Dmitri V. TI "Magnet-in-the-Semiconductor" FePt-PbS and FePt-PbSe Nanostructures: Magnetic Properties, Charge Transport, and Magnetoresistance SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID FIELD-EFFECT TRANSISTORS; NANOCRYSTAL SOLIDS; COLLOIDAL NANOCRYSTALS; TUNNEL-JUNCTIONS; QUANTUM DOTS; SUPERLATTICES; NANOPARTICLES; INJECTION; FILMS; OXIDE AB We report a synthesis of colloidal nanostructures combining a magnetic material (FePt) with a narrow-gap semiconductor (PbS and PbSe) in form of core shells or nanodumbbells and explore their optical, magnetic, electrical, and magnetotransport properties. The arrays of "magnet-in-the-semiconductor nanostructures show semiconductor-type transport properties with magnetoresistance typical for magnetic tunnel junctions, thus combining the advantages of both functional components. We observed gate-controlled charge transport through the arrays of FePt PbS and FePt PbSe core shell nanostructures with an electron mobility of 0.01 cm(2)/(V s) and 0.08 cm(2)/(V s), respectively, combined with ferro- and superparamagnetic behavior and large tunneling magnetoresistance. This work shows that multicomponent colloidal nanostructures can be used as the building blocks for design of multifunctional materials for electronics and optoelectronics. C1 [Lee, Jong-Soo; Bodnarchuk, Maryna I.; Talapin, Dmitri V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Shevchenko, Elena V.; Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Talapin, DV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM dvtalapin@uchicago.edu RI Lee, Jong-Soo /F-7461-2010 OI Lee, Jong-Soo /0000-0002-3045-2206 FU NSF [DMR-0847535, DMR-0213745]; Austrian Nanoinitiative (NSI); U.S. Department of Energy [DE-AC02-06CH11357] FX We thank M. Kovalenko, W. Heiss, I. Gruzberg, D. Vanmaekelbergh, and P. Guyot-Sionnest for stimulating discussions and B. Fisher and A. Belkin for help with magnetoresistance measurements. The work was supported by the NSF CAREER under Award Number DMR-0847535 and NSF MRSEC Program under Award Number DMR-0213745. M.I.B. acknowledges financial support from the Austrian Nanoinitiative (NSI). The work at the Center for Nanoscale Materials (ANL) was supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. NR 52 TC 56 Z9 56 U1 5 U2 56 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 12 PY 2010 VL 132 IS 18 BP 6382 EP 6391 DI 10.1021/ja100029s PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 593IB UT WOS:000277445400029 PM 20405825 ER PT J AU Wang, C Tian, WD Ding, Y Ma, YQ Wang, ZL Markovic, NM Stamenkovic, VR Daimon, H Sun, SH AF Wang, Chao Tian, Wende Ding, Yong Ma, Yu-qiang Wang, Zhong Lin Markovic, Nenad M. Stamenkovic, Vojislav R. Daimon, Hideo Sun, Shouheng TI Rational Synthesis of Heterostructured Nanoparticles with Morphology Control SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SHAPE-CONTROLLED SYNTHESIS; PLATINUM NANOCRYSTALS; AU-FE3O4 NANOPARTICLES; MAGNETIC NANOPARTICLES; CONTROLLED-RELEASE; GENERAL-APPROACH; SIZE; SEMICONDUCTOR; NANOCUBES; NANORODS AB Rational synthesis of Pt-Au(n) nanoparticles (NPs) has been achieved by overgrowing Au on Pt with n, the number of Pt-Au heterojunctions in each particle, controlled from 1 to 4, and the corresponding NPs in pear-, peanut-, or clover-like morphology. Monte Carlo simulation reveals that the morphology control can be correlated to a thermodynamic equilibrium of the Au coherence energy, the overall particle surface energy, and the heterogeneous Pt-Au interfacial energy in the composite system, which is manipulated by the seeding particle size and solvent polarity. The developed synthetic strategy together with the provided fundamental understanding of heterogeneous nucleation and heterostructure growth could have great potential toward the rational synthesis of composite nanomaterials with morphology control for advanced catalytic and other functional applications. C1 [Wang, Chao; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Wang, Chao; Markovic, Nenad M.; Stamenkovic, Vojislav R.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Tian, Wende; Ma, Yu-qiang] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China. [Ding, Yong; Wang, Zhong Lin] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Daimon, Hideo] Hitachi Maxell Ltd, Fundamental Technol Ctr, Technol & Dev Div, Osaka 5678567, Japan. RP Wang, C (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM chaowang@anl.gov; ssun@brown.edu RI Tian, W. D./D-2410-2010; Wang, Zhong Lin/E-2176-2011; Wang, Chao/F-4558-2012; Ding, Yong/F-3705-2017 OI Wang, Zhong Lin/0000-0002-5530-0380; Wang, Chao/0000-0001-7398-2090; Ding, Yong/0000-0001-5805-347X FU NSF/DMR [0606264]; Brown University; DOE [DE-AC02-06CH11357]; National Basic Research Program of China [2007CB925101]; National Natural Science Foundation of China [10974080] FX This project was supported by the NSF/DMR (Grant No. 0606264), the Brown University Seed Fund, and the DOE (No. DE-AC02-06CH11357). The simulation work at Nanjing University was supported by the National Basic Research Program of China (No. 2007CB925101) and the National Natural Science Foundation of China (No. 10974080). NR 34 TC 91 Z9 91 U1 8 U2 155 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 12 PY 2010 VL 132 IS 18 BP 6524 EP 6529 DI 10.1021/ja101305x PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 593IB UT WOS:000277445400044 PM 20397665 ER PT J AU Wu, W Liu, YG AF Wu, Wei Liu, Yangang TI A new one-dimensional radiative equilibrium model for investigating atmospheric radiation entropy flux SO PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES LA English DT Article DE radiative equilibrium model; atmospheric radiation entropy flux; atmospheric optical depth; entropy production; greenhouse gases; the Earth system ID CLIMATE SENSITIVITY; GLOBAL CLIMATE; THERMODYNAMICS; SYSTEM; STATE; EARTH AB A new one-dimensional radiative equilibrium model is built to analytically evaluate the vertical profile of the Earth's atmospheric radiation entropy flux under the assumption that atmospheric longwave radiation emission behaves as a greybody and shortwave radiation as a diluted blackbody. Results show that both the atmospheric shortwave and net longwave radiation entropy fluxes increase with altitude, and the latter is about one order in magnitude greater than the former. The vertical profile of the atmospheric net radiation entropy flux follows approximately that of the atmospheric net longwave radiation entropy flux. Sensitivity study further reveals that a 'darker' atmosphere with a larger overall atmospheric longwave optical depth exhibits a smaller net radiation entropy flux at all altitudes, suggesting an intrinsic connection between the atmospheric net radiation entropy flux and the overall atmospheric longwave optical depth. These results indicate that the overall strength of the atmospheric irreversible processes at all altitudes as determined by the corresponding atmospheric net entropy flux is closely related to the amount of greenhouse gases in the atmosphere. C1 [Wu, Wei; Liu, Yangang] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wu, W (reprint author), Brookhaven Natl Lab, Bldg 815E,75 Rutherford Dr, Upton, NY 11973 USA. EM wwu@bnl.gov RI Liu, Yangang/H-6154-2011; Wu, Wei/D-6766-2013 FU US Department of Energy FX This work is supported by the BNL LDRD (Laboratory Directed Research and Development) programme and the ARM (Atmospheric Radiation Measurements) programme of the US Department of Energy. We also thank Dr Gerald R. North for his invaluable inputs and the anonymous reviewer for positive and constructive comments and suggestions. Discussions with our colleagues Drs Stephen E Schwartz, Warren Wiscombe, Robert L. McGraw and Dong Huang are greatly appreciated. NR 43 TC 5 Z9 5 U1 0 U2 3 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 0962-8436 J9 PHILOS T R SOC B JI Philos. Trans. R. Soc. B-Biol. Sci. PD MAY 12 PY 2010 VL 365 IS 1545 SI SI BP 1367 EP 1376 DI 10.1098/rstb.2009.0301 PG 10 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 578CY UT WOS:000276272200009 PM 20368255 ER PT J AU Xia, A Sharakhova, MV Leman, SC Tu, ZJ Bailey, JA Smith, CD Sharakhov, IV AF Xia, Ai Sharakhova, Maria V. Leman, Scotland C. Tu, Zhijian Bailey, Jeffrey A. Smith, Christopher D. Sharakhov, Igor V. TI Genome Landscape and Evolutionary Plasticity of Chromosomes in Malaria Mosquitoes SO PLOS ONE LA English DT Article ID VECTOR ANOPHELES-FUNESTUS; TRANSPOSABLE ELEMENT; DROSOPHILA-MELANOGASTER; SEGMENTAL DUPLICATIONS; GAMBIAE COMPLEX; SPECIES COMPLEX; NUCLEAR LAMINS; GENE ONTOLOGY; INVERSION 2LA; SPECIATION AB Background: Nonrandom distribution of rearrangements is a common feature of eukaryotic chromosomes that is not well understood in terms of genome organization and evolution. In the major African malaria vector Anopheles gambiae, polymorphic inversions are highly nonuniformly distributed among five chromosomal arms and are associated with epidemiologically important adaptations. However, it is not clear whether the genomic content of the chromosomal arms is associated with inversion polymorphism and fixation rates. Methodology/Principal Findings: To better understand the evolutionary dynamics of chromosomal inversions, we created a physical map for an Asian malaria mosquito, Anopheles stephensi, and compared it with the genome of An. gambiae. We also developed and deployed novel Bayesian statistical models to analyze genome landscapes in individual chromosomal arms An. gambiae. Here, we demonstrate that, despite the paucity of inversion polymorphisms on the X chromosome, this chromosome has the fastest rate of inversion fixation and the highest density of transposable elements, simple DNA repeats, and GC content. The highly polymorphic and rapidly evolving autosomal 2R arm had overrepresentation of genes involved in cellular response to stress supporting the role of natural selection in maintaining adaptive polymorphic inversions. In addition, the 2R arm had the highest density of regions involved in segmental duplications that clustered in the breakpoint-rich zone of the arm. In contrast, the slower evolving 2L, 3R, and 3L, arms were enriched with matrix-attachment regions that potentially contribute to chromosome stability in the cell nucleus. Conclusions/Significance: These results highlight fundamental differences in evolutionary dynamics of the sex chromosome and autosomes and revealed the strong association between characteristics of the genome landscape and rates of chromosomal evolution. We conclude that a unique combination of various classes of genes and repetitive DNA in each arm, rather than a single type of repetitive element, is likely responsible for arm-specific rates of rearrangements. C1 [Xia, Ai; Sharakhova, Maria V.; Sharakhov, Igor V.] Virginia Tech, Dept Entomol, Blacksburg, VA 24061 USA. [Leman, Scotland C.] Virginia Tech, Dept Stat, Blacksburg, VA USA. [Tu, Zhijian] Virginia Tech, Dept Biochem, Blacksburg, VA USA. [Bailey, Jeffrey A.] Univ Massachusetts, Sch Med, Program Bioinformat & Integrat Biol, Worcester, MA 01605 USA. [Bailey, Jeffrey A.] Univ Massachusetts, Sch Med, Div Transfus Med, Dept Med, Worcester, MA 01605 USA. [Smith, Christopher D.] San Francisco State Univ, Dept Biol, San Francisco, CA 94132 USA. [Smith, Christopher D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Drosophila Heterochromatin Genome Project, Berkeley, CA 94720 USA. RP Xia, A (reprint author), Virginia Tech, Dept Entomol, Blacksburg, VA 24061 USA. EM igor@vt.edu RI Sharakhov, Igor/B-1972-2008 OI Sharakhov, Igor/0000-0003-0752-3747 FU National Institutes of Health [1R21AI081023-01, 5R01HG000747-14]; Virginia Tech FX This work was supported by National Institutes of Health grant 1R21AI081023-01 and startup funds from Virginia Tech ( to I.V.S) and NIH 5R01HG000747-14 (to C.D.S). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 69 TC 21 Z9 22 U1 0 U2 7 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 12 PY 2010 VL 5 IS 5 AR e10592 DI 10.1371/journal.pone.0010592 PG 13 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 594UC UT WOS:000277563400006 PM 20485676 ER PT J AU Yu, E Gaucher, SP Hadi, MZ AF Yu, Eizadora Gaucher, Sara P. Hadi, Masood Z. TI Probing Conformational Changes in Ape1 during the Progression of Base Excision Repair SO BIOCHEMISTRY LA English DT Article ID HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE; HUMAN APURINIC ENDONUCLEASE; HUMAN ABASIC ENDONUCLEASE; DNA-POLYMERASE-BETA; MASS-SPECTROMETRY; MAJOR HUMAN; REDOX REGULATION; HUMAN-POPULATION; SITE ANALOGS; PROTEIN AB A basic (AP) sites are the most common lesions arising in genomic DNA. Repair of this potentially mutagenic DNA damage is initiated by the major apurinic/apyrimidinic endonuclease Ape 1, which specifically recognizes and cleaves the DNA backbone 5' to the AP site. Ape I is one of the major proteins in the base excision repair pathway (BER), and deletions in any of the BER proteins result in embryonic lethality. In this study, we employed fluorescence spectroscopy and in vitro mass spectrometric protein footprinting to investigate Ape1 conformational changes during various nucleoprotein interactions along its reaction pathway. Differences in intrinsic fluorescence emission spectra were observed during Ape1 protein's processing of the substrate, indicating possible conformational changes of the nucleoprotein complexes. To determine the protein domains that are involved in the putative conformational change, full-length Ape1 protein was probed with a lysine-reactive reagent (NHS-biotin) in the context of free protein and DNA-bound complexes. Protection patterns between pre- and postincision complexes revealed an increased susceptibility of lysine residues localized on the Ape1 surface that contacts the 3' end of the incised duplex (downstream of the incision site). We propose that the decreased protection results from Ape1 having a more relaxed grip on this section of the incised duplex to facilitate the handoff to the downstream BER enzyme. Protection of lysines (residues 24-35) in the N-terminal region was also observed in the intact AP-DNA-bound complex. These residues are part of the Ref1 domain which functions to regulate the activity of several transcription factors but to date has not been ascribed a DNA binding function. The reactivity of these Ref1 lysines was restored in the postincision complex. The differential protection patterns of lysines in the flexible N-terminal domain suggest a novel Ref1 conformational change concomitant with DNA binding and catalysis. It is likely that Ape1 employs this structural switch to mediate redox and nuclease activities. The ability of the Ape1-AP-DNA complex to recruit other BER proteins was also investigated by probing ternary complexes comprised of Ape1, DNA polymerase beta (Pol beta), and different BER DNA intermediates (abasic or gapped DNA). Our results suggest that Pol beta approaches the Ape I DNA complex downstream of the incision site, displaces Ape1 DNA binding contacts (K227, K228, and K276), and in the process makes minimal interactions with lysine residues in the Ref1 domain. C1 [Yu, Eizadora; Gaucher, Sara P.; Hadi, Masood Z.] Sandia Natl Labs, Biosyst Res Dept, Livermore, CA 94551 USA. RP Hadi, MZ (reprint author), Sandia Natl Labs, Biosyst Res Dept, Livermore, CA 94551 USA. EM mzhadi@sandia.gov RI Yu, Eizadora/A-8971-2011 FU National Institutes of Health [RR019864-01]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the National Institutes of Health (Grant RR019864-01).; We acknowledge Drs. P. Beernink, M. Coleman, F. Marchetti, and D. Wilson, III, for their comments and suggestions during this study. Sandia National Laboratories is a Multiprogram laboratory operated by Sandia Corp., a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 50 TC 11 Z9 13 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD MAY 11 PY 2010 VL 49 IS 18 BP 3786 EP 3796 DI 10.1021/bi901828t PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 590GF UT WOS:000277212400002 PM 20377204 ER PT J AU Nguyen, NT Berseth, PA Lin, QY Chiritescu, C Cahill, DG Mavrokefalos, A Shi, L Zschack, P Anderson, MD Anderson, IM Johnson, DC AF Nguyen, Ngoc T. Berseth, Polly A. Lin, Qiyin Chiritescu, Catalin Cahill, David G. Mavrokefalos, Anastassios Shi, Li Zschack, Paul Anderson, Michael D. Anderson, Ian M. Johnson, David C. TI Synthesis and Properties of Turbostratically Disordered, Ultrathin WSe2 Films SO CHEMISTRY OF MATERIALS LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; SINGLE-CRYSTALS; THIN-FILMS; TUNGSTEN; NIOBIUM; INDIUM AB Turbostratically disordered tungsten diselenide (WSe2) thin films with as few as two c-axis-oriented (basal plane) structural units were synthesized from modulated elemental reactants. By varying the number of elemental W-Se bilayers deposited, the thickness could be controllably varied from two to eighty such structural units. The sample roughness decreases with increasing annealing time and temperature as the crystalline WSe2 basal plane units self-assemble from the amorphous precursors. Low-angle X-ray diffraction data show that the thickness of the WSe2 films is highly uniform after annealing, with estimated roughness of less than 0.2 nm, and highly oriented, with the c axis of the structural units oriented within 0.1 degrees of the substrate normal as determined from rocking curves of the specular 00L-type diffraction peaks. Pole figures of hk0-type reflections indicate that c-axis-oriented basal plane structural units are randomly oriented within the a-b plane. The widths of diffraction peaks of type hk0, 00L, and hkl (h, k not equal 0; l not equal 0) indicate coherence lengths of about 6-7 nm in the ab plane, the full thickness of the film along the e axis, and 1-2 nm in mixed-index directions. Scanning transmission electron microscopy imaging corroborated the X-ray scattering results, providing direct evidence of strong c-axis texture, rotational disorder between adjacent basal plane structural units, and an intraplanar grain size of several nanometers. The combination of intraplanar crystallinity and interplanar rotational disorder explains the significant anisotropy of the thermal conductivity, which is 20-30 times higher in the a-b plane than along the e axis. Electrical measurements within the a-b plane indicate that the films exhibit n-type semiconducting behavior. C1 [Nguyen, Ngoc T.; Berseth, Polly A.; Lin, Qiyin; Anderson, Michael D.; Johnson, David C.] Univ Oregon, Dept Chem, Eugene, OR 97403 USA. [Nguyen, Ngoc T.; Berseth, Polly A.; Lin, Qiyin; Anderson, Michael D.; Johnson, David C.] Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA. [Chiritescu, Catalin; Cahill, David G.] Univ Illinois, Dept Mat Sci & Engn, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Mavrokefalos, Anastassios; Shi, Li] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. [Zschack, Paul] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Anderson, Michael D.; Anderson, Ian M.] Natl Inst Stand & Technol, Surface & Microanal Sci Div, Gaithersburg, MD 20899 USA. RP Johnson, DC (reprint author), Univ Oregon, Dept Chem, Eugene, OR 97403 USA. EM davej@uoregon.edu RI Shi, Li/C-8123-2013; Cahill, David/B-3495-2014; OI Shi, Li/0000-0002-5401-6839; Mavrokefalos, Anastassios/0000-0001-8886-6383 FU National Science Foundation [DMR 0103409]; ONR [N00014-96-0407, N00014-05-1-0250, N00014-1-1168]; U.S. Department of Energy [DEFG02-91-ER45439]; NSF; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-ENG-38] FX The research was funded by National Science Foundation under grant DMR 0103409 and supported by ONR Grants N00014-96-0407, N00014-05-1-0250, and N00014-1-1168. Thermal conductivity measurements were performed at the Laser and Spectroscopy Facility and the Center for Microanalysis of Materials of the Frederick Seitz Materials Research Laboratory, University of Illinois, which is partially supported by the U.S. Department of Energy under grant DEFG02-91-ER45439, and at the University of Texas at Austin Microelectronic Research Center, which is a node of the National Nanofabrication Infrastructure Network funded by NSF. The authors would like to thank Ms. Jenia Karapetrova at the Advanced Photon Source for assistance working on the beamline. Research at the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under the contract W-31-109-ENG-38. NR 34 TC 19 Z9 19 U1 8 U2 70 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD MAY 11 PY 2010 VL 22 IS 9 BP 2750 EP 2756 DI 10.1021/cm903633w PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 590AD UT WOS:000277194600010 ER PT J AU Khoueiry, P Rothbacher, U Ohtsuka, Y Daian, F Frangulian, E Roure, A Dubchak, I Lemaire, P AF Khoueiry, Pierre Rothbacher, Ute Ohtsuka, Yukio Daian, Fabrice Frangulian, Eric Roure, Agnes Dubchak, Irina Lemaire, Patrick TI A cis-Regulatory Signature in Ascidians and Flies, Independent of Transcription Factor Binding Sites SO CURRENT BIOLOGY LA English DT Article ID CIONA-INTESTINALIS; GENE-EXPRESSION; NUCLEOSOME ORGANIZATION; DROSOPHILA EMBRYO; HUMAN ENHANCERS; MATERNAL GATA; IN-VIVO; DNA; GENOME; IDENTIFICATION AB Background: Transcription initiation is controlled by cis-regulatory modules. Although these modules are usually made of clusters of short transcription factor binding sites, a small minority of such clusters in the genome have cis-regulatory activity. This paradox is currently unsolved. Results: To identify what discriminates active from inactive clusters, we focused our attention on short topologically unconstrained clusters of two ETS and two GATA binding sites, similar to the early neural enhancer of Ciona intestinalis Otx. We first computationally identified 55 such clusters, conserved between the two Ciona genomes. In vivo assay of the activity of 19 hits identified three novel early neural enhancers, all located next to genes coexpressed with Otx. Optimization of ETS and GATA binding sites was not always sufficient to confer activity to inactive clusters. Rather, a dinucleotide sequence code associated to nucleosome depletion showed a robust correlation with enhancer potential. Identification of a large collection of Ciona regulatory regions revealed that predicted nucleosome depletion constitutes a general signature of Ciona enhancers, which is conserved between orthologous loci in the two Ciona genomes and which partitions conserved noncoding sequences into a major nucleosome-bound fraction and a minor nucleosome-free fraction with higher cis-regulatory potential. We also found this signature in a large fraction of short Drosophila cis-regulatory modules. Conclusion: This study indicates that a sequence-based dinucleotide signature, previously associated with nucleosome depletion and independent of transcription factor binding sites, contributes to the definition of a local cis-regulatory potential in two metazoa, Ciona intestinalis and Drosophila melanogaster. C1 [Khoueiry, Pierre; Rothbacher, Ute; Ohtsuka, Yukio; Daian, Fabrice; Frangulian, Eric; Roure, Agnes; Lemaire, Patrick] Univ Aix Marseille 2, CNRS, IBDML, UMR 6216, F-13288 Marseille 9, France. [Dubchak, Irina] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Genome Sci, Berkeley, CA 94720 USA. RP Khoueiry, P (reprint author), European Mol Biol Lab, Meyerhof Str 1, D-69117 Heidelberg, Germany. RI Lemaire, Patrick/B-5560-2012; Khoueiry, Pierre/F-2130-2017; OI Lemaire, Patrick/0000-0003-4925-2009; Khoueiry, Pierre/0000-0001-7643-3310; Rothbacher, Ute/0000-0002-9989-6139 FU Myores Network of Excellence; Association pour la Recherche sur le Cancer; CNRS; Marine Genomics Europe Network of Excellence; Agence Nationale de le Recherche FX We thank E Haillot (currently affiliated with Station Biologique de la Darse, Villefranche-sur-mer, France) for cloning and testing by electroporation some of the constructs reported here, and we thank D Sobral (IBDML) for help with statistical analysis F Graziani (IBDML) performed expert animal husbandry, and the Animal Model Service of the Roscoff Marine Biology Station collected our Ciona We are grateful for discussions with M Eisen (University of California, Berkeley) and with the members of our team P K was supported successively by the Myores Network of Excellence (EU FP6) and the Association pour la Recherche sur le Cancer PL,UR, and A R are members of CNRS, and F D was supported by the Marine Genomics Europe Network of Excellence (EU FP6) and the Genopole Marseille-Nice Work in the laboratory was supported by Myores, Marine Genomics Europe, Embryos Against Cancer (EU FP6), the Agence Nationale de le Recherche (Chor-Reg-Net Programme Blanc 2005), and CNRS NR 44 TC 33 Z9 33 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0960-9822 J9 CURR BIOL JI Curr. Biol. PD MAY 11 PY 2010 VL 20 IS 9 BP 792 EP 802 DI 10.1016/j.cub.2010.03.063 PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 596KB UT WOS:000277682600019 PM 20434338 ER PT J AU Masters, KL Nichol, R Bamford, S Mosleh, M Lintott, CJ Andreescu, D Edmondson, EM Keel, WC Murray, P Raddick, MJ Schawinski, K Slosar, A Szalay, AS Thomas, D Vandenberg, J AF Masters, Karen L. Nichol, Robert Bamford, Steven Mosleh, Moein Lintott, Chris J. Andreescu, Dan Edmondson, Edward M. Keel, William C. Murray, Phil Raddick, M. Jordan Schawinski, Kevin Slosar, Anze Szalay, Alexander S. Thomas, Daniel Vandenberg, Jan TI Galaxy Zoo: dust in spiral galaxies star SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE surveys; dust; extinction; galaxies: fundamental parameters; galaxies: photometry; galaxies: spiral ID DIGITAL-SKY-SURVEY; SPECTRAL ENERGY-DISTRIBUTION; MORPHOLOGICALLY CLASSIFIED GALAXIES; LUMINOSITY FUNCTION; INTERNAL EXTINCTION; DISK GALAXIES; STELLAR MASS; BULGE; CATALOG; ATTENUATION AB We investigate the effect of dust on spiral galaxies by measuring the inclination dependence of optical colours for 24 276 well-resolved Sloan Digital Sky Survey (SDSS) galaxies visually classified via the Galaxy Zoo project. We find clear trends of reddening with inclination which imply a total extinction from face-on to edge-on of 0.7, 0.6, 0.5 and 0.4 mag for the ugri passbands (estimating 0.3 mag of extinction in z band). We split the sample into 'bulgy' (early-type) and 'discy' (late-type) spirals using the SDSS fracdeV (or f(DeV)) parameter and show that the average face-on colour of 'bulgy' spirals is redder than the average edge-on colour of 'discy' spirals. This shows that the observed optical colour of a spiral galaxy is determined almost equally by the spiral type (via the bulge-disc ratio and stellar populations), and reddening due to dust. We find that both luminosity and spiral type affect the total amount of extinction, with discy spirals at M(r) similar to -21.5 mag having the most reddening - more than twice as much as both the lowest luminosity and most massive, bulge-dominated spirals. An increase in dust content is well known for more luminous galaxies, but the decrease of the trend for the most luminous has not been observed before and may be related to their lower levels of recent star formation. We compare our results with the latest dust attenuation models of Tuffs et al. We find that the model reproduces the observed trends reasonably well but overpredicts the amount of u-band attenuation in edge-on galaxies. This could be an inadequacy in the Milky Way extinction law (when applied to external galaxies), but more likely indicates the need for a wider range of dust-star geometries. We end by discussing the effects of dust on large galaxy surveys and emphasize that these effects will become important as we push to higher precision measurements of galaxy properties and their clustering. C1 [Masters, Karen L.; Nichol, Robert; Edmondson, Edward M.; Thomas, Daniel] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Bamford, Steven] Univ Nottingham, Ctr Astron Particle Theory, Nottingham NG7 2RD, England. [Mosleh, Moein] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Mosleh, Moein] Leiden Univ, Leiden Observ, NL-2300 RA Leiden, Netherlands. [Lintott, Chris J.] Univ Oxford, Oxford OX1 3RH, England. [Andreescu, Dan] LinkLab, Bronx, NY 10471 USA. [Keel, William C.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Murray, Phil] Fingerprint Digital Media, Newtownards BT23 7GY, Co Down, North Ireland. [Raddick, M. Jordan; Szalay, Alexander S.; Vandenberg, Jan] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Schawinski, Kevin] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. [Slosar, Anze] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Ctr Cosmo Phys, Berkeley, CA 94720 USA. [Slosar, Anze] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Masters, KL (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg,Burnaby Rd, Portsmouth PO1 3FX, Hants, England. EM karen.masters@port.ac.uk RI Bamford, Steven/E-8702-2010; OI Bamford, Steven/0000-0001-7821-7195; Schawinski, Kevin/0000-0001-5464-0888; Masters, Karen/0000-0003-0846-9578 FU GZ; Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society and the Higher Education Funding Council for England; Particle Physics and Astronomy Research Council (UK); Australian Research Council (AUS); Peter and Patricia Gruber Foundation; University of Portsmouth; STFC; European Commission [PITN-GA-2008-214227]; Leverhulme Trust; STFC Science In Society Programme; NASA [PF9-00069, NAS8-03060] FX This publication has been made possible by the participation of more than 160 000 volunteers in the GZ project. Their contributions are individually acknowledged at http://www.galaxyzoo.org/Volunteers.aspx. Funding for the SDSS and SDSS-II has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, the US Department of Energy, the National Aeronautics and Space Administration, the Japanese Monbukagakusho, the Max Planck Society and the Higher Education Funding Council for England. The SDSS Web Site is http://www.sdss.org/. The MGC consists of imaging data from the Isaac Newton Telescope and spectroscopic data from the Anglo Australian Telescope, the ANU 2.3-m, the ESO New Technology Telescope, the Telescopio Nazionale Galileo and the Gemini North Telescope. The survey has been supported through grants from the Particle Physics and Astronomy Research Council (UK) and the Australian Research Council (AUS). The data and data products are publicly available from http://www.eso.org/similar to jliske/mgc/. KLM acknowledges funding from the Peter and Patricia Gruber Foundation as the 2008 Peter and Patricia Gruber Foundation International Astronomical Union Fellow, and from the University of Portsmouth. MM and RN acknowledge financial support from STFC. Support for the work of MM in Leiden was provided by an Initial Training Network ELIXIR (EarLy unIverse eXploration with nIRspec), grant agreement PITN-GA-2008-214227 (from the European Commission). CJL acknowledges support from The Leverhulme Trust and the STFC Science In Society Programme. Support for the work of KS was provided by NASA through Einstein Postdoctoral Fellowship grant number PF9-00069 issued by the Chandra X-ray Observatory Center, which is operated by the Smithsonian Astrophysical Observatory for and on behalf of NASA under contract NAS8-03060. We thank Richard Tuffs and Christina Popescu for providing extensive comments on this paper in advance of publication. NR 54 TC 66 Z9 67 U1 0 U2 1 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY 11 PY 2010 VL 404 IS 2 BP 792 EP 810 DI 10.1111/j.1365-2966.2010.16335.x PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 591TZ UT WOS:000277329000013 ER PT J AU Jimenez, R Slosar, A Verde, L Bamford, S Lintott, C Schawinski, K Nichol, R Andreescu, D Land, K Murray, P Raddick, MJ Szalay, A Thomas, D Vandenberg, J AF Jimenez, Raul Slosar, Anze Verde, Licia Bamford, Steven Lintott, Chris Schawinski, Kevin Nichol, Robert Andreescu, Dan Land, Kate Murray, Phil Raddick, M. Jordan Szalay, Alex Thomas, Daniel Vandenberg, Jan TI Galaxy Zoo: a correlation between the coherence of galaxy spin chirality and star formation efficiency star SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: general; cosmology: theory ID DIGITAL-SKY-SURVEY; WEAK-LENSING MEASUREMENTS; DISK GALAXIES; METALLICITY HISTORIES; ANGULAR-MOMENTUM; TIDAL TORQUES; EVOLUTION; ENVIRONMENT; ALIGNMENTS; DIRECTION AB We report on the finding of a correlation between the past star formation activity of galaxies and the degree to which the rotation axes of neighbouring galaxies are aligned. This is obtained by cross-correlating star formation histories, derived using the multiple optimized parameter estimation and data compression (MOPED) algorithm, and the spatial coherence of spin direction (chirality), as determined by the Galaxy Zoo project, for a sample of Sloan Digital Sky Survey (SDSS) galaxies. Our findings suggest that spiral galaxies, which formed the majority of their stars early (z > 2), tend to display coherent rotation over scales of similar to 10 Mpc h-1. The correlation is weaker for galaxies with significant recent star formation. We find evidence for this alignment at more than the 5 Sigma level, but no correlation with other galaxy stellar properties. This finding can be explained within the context of hierarchical tidal-torque theory if the SDSS galaxies harbouring the majority of the old stellar population were formed in the past, in the same filament and at about the same time. Galaxies with significant recent star formation instead are in the field, thus influenced by the general tidal field that will align them in random directions, or have had a recent merger that would promote star formation but change the spin direction. C1 [Jimenez, Raul; Verde, Licia] CSIC, IEEC, ICREA, Bellaterra 08193, Spain. [Jimenez, Raul; Verde, Licia] CSIC, IEEC, Inst Space Sci, Bellaterra 08193, Spain. [Slosar, Anze] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Slosar, Anze] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Slosar, Anze; Lintott, Chris; Land, Kate] Univ Oxford, Dept Astrophys, Oxford OX1 3RH, England. [Slosar, Anze] Univ Ljubljana, Fac Math & Phys, Ljubljana 61000, Slovenia. [Bamford, Steven; Thomas, Daniel] Univ Nottingham, Ctr Astron & Particle Theory, Nottingham NG7 2RD, England. [Nichol, Robert] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 2EG, Hants, England. [Schawinski, Kevin] Yale Univ, Dept Phys, New Haven, CT 06511 USA. [Schawinski, Kevin] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. [Andreescu, Dan; Raddick, M. Jordan] LinkLab, Bronx, NY 10471 USA. [Murray, Phil] Fingerprint Digital Media, Newtownards BT23 7GY, Co Down, North Ireland. [Szalay, Alex; Vandenberg, Jan] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. RP Jimenez, R (reprint author), CSIC, IEEC, ICREA, Campus UAB, Bellaterra 08193, Spain. EM raulj@astro.princeton.edu RI Bamford, Steven/E-8702-2010; OI Bamford, Steven/0000-0001-7821-7195; Verde, Licia/0000-0003-2601-8770; Jimenez, Raul/0000-0002-3370-3103; Schawinski, Kevin/0000-0001-5464-0888 FU FP7-PEOPLE-2007-4-3 IRG [202182]; MICINN (the Spanish Ministry for Science and Innovation) [AYA2008-03531]; INFN FX RJ and LV are supported by FP7-PEOPLE-2007-4-3 IRG, FP7-PEOPLE-2007-4-3-IRG n. 202182 and by MICINN (the Spanish Ministry for Science and Innovation) grant AYA2008-03531. RJ and LV thank ICC at UB for hospitality. RJ, AS and LV thank the Galileo Galilei Institute for Theoretical Physics (GGI) in Florence, where part of this work was carried out, and INFN for partial support. NR 37 TC 8 Z9 8 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY 11 PY 2010 VL 404 IS 2 BP 975 EP 980 DI 10.1111/j.1365-2966.2010.16336.x PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 591TZ UT WOS:000277329000028 ER PT J AU Awes, TC AF Awes, Terry C. CA ALICE Collaboration TI The ALICE electromagnetic calorimeter SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Electromagnetic calorimeters; Heavy-ion collisions; ALICE experiment AB ALICE is the general purpose experiment at the LHC dedicated to the study of heavy-ion collisions. The electromagnetic calorimeter (EMCal) is a late addition to the ALICE suite of detectors with first modules installed in ALICE this year. The EMCal is designed to trigger on high energy gamma-rays and jets, and to enhance the capabilities of ALICE for these measurements. The EMCal is a Pb/scintillator sampling shish-kebab type calorimeter. The EMCal construction, readout, and performance in beam tests at the CERN SPS and PS are described. Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Awes, TC (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM awestc@ornl.gov RI Barbera, Roberto/G-5805-2012 OI Barbera, Roberto/0000-0001-5971-6415 NR 13 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 5 EP 8 DI 10.1016/j.nima.2009.10.010 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700003 ER PT J AU White, S AF White, Sebastian TI The ATLAS zero degree calorimeter SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Quartz fiber calorimeter; Zero degree calorimeter; Radiation hardness quartz AB In May of 2009 the ATLAS zero degree calorimeter was installed in its initial configuration and integrated into the ATLAS trigger/daq. The detector was designed to measure Global characteristics of events-particulary in PbPb collisions-through the measurement of energy and position of very forward neutral particles. Here we discuss the design and tests-particularly of radiation hardness. (C) 2009 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, New York, NY USA. RP White, S (reprint author), Brookhaven Natl Lab, New York, NY USA. EM Sebastian.White@CERN.CH NR 3 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 126 EP 128 DI 10.1016/j.nima.2009.09.120 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700037 ER PT J AU Alexopoulos, T Altintas, AA Alviggi, M Arik, M Cetin, SA Chernyatine, V Cheu, E Della Volpe, D Dris, M Fassouliotis, D Gazis, EN Giordano, R Gratchev, V Guan, L Iengo, P Ioannou, P Li, C Johns, K Kaushik, V Khodinov, A Kourkoumelis, C Maltezos, S Mermigka, K Muller, H Nikolopoulos, K Park, W Persembe, S Petridou, C Petti, R Polychronakos, V Purohit, MV Sampsonidis, D Sekhniaidze, G Shao, M Sun, YJ Tsipolitis, G Veenhof, R Wang, XL Wotschack, J Wu, SX Zhao, T Zhao, ZG AF Alexopoulos, T. Altintas, A. A. Alviggi, M. Arik, M. Cetin, S. A. Chernyatine, V. Cheu, E. Della Volpe, D. Dris, M. Fassouliotis, D. Gazis, E. N. Giordano, R. Gratchev, V. Guan, L. Iengo, P. Ioannou, P. Li, C. Johns, K. Kaushik, V. Khodinov, A. Kourkoumelis, C. Maltezos, S. Mermigka, K. Muller, H. Nikolopoulos, K. Park, W. Persembe, S. Petridou, C. Petti, R. Polychronakos, V. Purohit, M. V. Sampsonidis, D. Sekhniaidze, G. Shao, M. Sun, Y. J. Tsipolitis, G. Veenhof, R. Wang, X. L. Wotschack, J. Wu, S. X. Zhao, T. Zhao, Z. G. TI Development of large size Micromegas detector for the upgrade of the ATLAS Muon system SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Micromegas; Gas detectors; Muon system; ATLAS experiment AB With the luminosity upgrade of the LHC machine (SLHC, Super-LHC), the Muon system of the ATLAS experiment at CERN will also need a detector upgrade in the highest rapidity region. MAMMA, Muon ATLAS Micromegas Activity, is an ongoing R&D activity with the aim to develop large detectors based on the bulk-Micromegas technology for use in the ATLAS Muon Spectrometer. Micromegas is a good potential candidate for the construction of large muon chambers that combine trigger and tracking capability and can sustain high particle rates expected at the SLHC. A medium size Micromegas prototype, in scale 1:10 of the final chambers, has been built and evaluated in the laboratory and in beam tests at CERN. Results from the analysis of test-beam data are presented. The results indicate that large size Micromegas is a viable candidate for ATLAS Muon upgrade (C) 2009 Elsevier B.V. All rights reserved. C1 [Iengo, P.] IN2P3, CNRS, Lab Annecy Le Vieux Phys Particules, F-74941 Annecy Le Vieux, France. [Muller, H.; Wotschack, J.] CERN, CH-1211 Geneva 23, Switzerland. [Veenhof, R.] Univ Wisconsin, Madison, WI 53706 USA. [Cheu, E.; Johns, K.; Kaushik, V.] Univ Arizona, Tucson, AZ 85721 USA. [Alexopoulos, T.; Dris, M.; Gazis, E. N.; Maltezos, S.; Mermigka, K.; Tsipolitis, G.] Natl Tech Univ Athens, GR-15780 Zografos, Greece. [Fassouliotis, D.; Ioannou, P.; Kourkoumelis, C.; Nikolopoulos, K.] Univ Athens, Ilissia 15701, Greece. [Chernyatine, V.; Nikolopoulos, K.; Polychronakos, V.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Alviggi, M.; Della Volpe, D.; Giordano, R.; Sekhniaidze, G.] Univ Naples Federico 2, I-80126 Naples, Italy. [Altintas, A. A.; Arik, M.; Persembe, S.] Bogazici Univ Istanbul, Istanbul, Turkey. [Cetin, S. A.] Dogus Univ Istanbul, Istanbul, Turkey. [Khodinov, A.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Park, W.; Petti, R.; Purohit, M. V.] Univ S Carolina, Columbia, SC 29208 USA. [Gratchev, V.] Petersburg Nucl Phys Inst, Gatchina 188350, St Petersburg, Russia. [Petridou, C.; Sampsonidis, D.] Univ Thessaloniki, Thessaloniki 54124, Greece. [Guan, L.; Li, C.; Shao, M.; Sun, Y. J.; Wang, X. L.; Wu, S. X.; Zhao, Z. G.] Univ Sci & Technol China, Hefei 230026, An Hui, Peoples R China. [Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Iengo, P (reprint author), IN2P3, CNRS, Lab Annecy Le Vieux Phys Particules, 9 Chemin Bellevue, F-74941 Annecy Le Vieux, France. EM paolo.iengo@cern.ch RI Altintas, Azmi/F-1595-2014; KHODINOV, ALEKSANDR/D-6269-2015; OI Altintas, Azmi/0000-0003-2383-4705; KHODINOV, ALEKSANDR/0000-0003-3551-5808; Della Volpe, Domenico/0000-0001-8530-7447 NR 10 TC 23 Z9 23 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 161 EP 165 DI 10.1016/j.nima.2009.06.113 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700048 ER PT J AU Muller, H Awes, TC Noyitzky, N Kral, J Rak, J Schambach, J Wang, YP Wang, D Zhou, DC AF Muller, Hans Awes, Terry C. Noyitzky, Norbert Kral, Jiri Rak, Jan Schambach, Jo Wang, Yaping Wang, Dong Zhou, Daicui TI Hierarchical trigger of the ALICE calorimeters SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Calorimeter; Trigger architecture; Common electronics; FPGA algorithm; Peak finding; Trigger data AB The trigger of the ALICE electromagnetic calorimeters is implemented in 2 hierarchically connected layers of electronics. In the lower layer, level-0 algorithms search shower energy above threshold in locally confined Trigger Region Units (TRU). The top layer is implemented as a single, global trigger unit that receives the trigger data from all TRUs as input to the level-1 algorithm. This architecture was first developed for the PHOS high PT photon trigger before it was adopted by EMCal also for the jet trigger. TRU units digitize up to 112 analogue input signals from the Front End Electronics (FEE) and concentrate their digital stream in a single FPGA. A charge and time summing algorithm is combined with a peakfinder that suppresses spurious noise and is precise to single LHC bunches. With a peak-to-peak noise level of 150 MeV the linear dynamic range above threshold spans from MIP energies at 215 up to 50 GeV. Local level-0 decisions take less than 600 ns after LHC collisions, upon which all TRUs transfer their level-0 trigger data to the upstream global trigger module which searches within the remaining level-1 latency for high p(T) gamma showers (PHOS) and/or for Jet cone areas (EMCaL). (C) 2009 Elsevier B.V. All rights reserved. C1 [Muller, Hans; Wang, Yaping] CERN, PH Dept, CH-1211 Geneva 23, Switzerland. [Wang, Yaping; Wang, Dong; Zhou, Daicui] Huazhong Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. [Awes, Terry C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Noyitzky, Norbert; Kral, Jiri; Rak, Jan] Univ Jyvaskyla, Dept Phys, SF-40351 Jyvaskyla, Finland. [Schambach, Jo] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. RP Muller, H (reprint author), CERN, PH Dept, CH-1211 Geneva 23, Switzerland. EM Hans.Muller@cern.ch NR 8 TC 10 Z9 10 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 344 EP 347 DI 10.1016/j.nima.2009.06.097 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700107 ER PT J AU Wang, YP Ma, K Muller, H Cai, X Zhou, DC Yin, ZB Awes, TC Wang, D AF Wang, Yaping Ma, Ke Muller, Hans Cai, Xu Zhou, Daicui Yin, Zhongbao Awes, Terry C. Wang, Dong TI Front-end electronics for the ALICE calorimeters SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE ALICE calorimeters; APD; CSP; Front-end electronics (FEE); Shaper; ALTRO; Fast OR; Noise ID PHYSICS PERFORMANCE REPORT AB The ALICE calorimeters PHOS and EMCal are based on Avalanche Photo-Diode (APD) photosensors with Charge Sensitive Preamplifiers (CSP) for readout of the scintillating elements. The amplified signals are read out via 32-channel shaper/digitizer front-end electronics (FEE) with 14-bit effective dynamic range. The electronics is based on second order shapers with dual gain for each channel, getting digitized by ALTRO chips. Each APD channel is equipped with an individual 10-bit APD gain adjustment and 2 x 2 channel clusters generate a 100 ns shaped analog sums output (Fast OR) for the associated Trigger Region Units (TRU). The Fast OR signals are generated by first order shapers with a dynamic range of 12-bit given by the ADC in the TRU cards. Board controller firmware in the FPGA provides local monitoring and configuration of all parameters via the ALICE DCS system. The signal to noise ratio for MIP at 215 MeV is similar to 7 per channel with a noise level of 30 MeV at room temperature for a dynamic range of 80 GeV for PHOS, and the fast-OR RMS noise level is about 75 MeV for a dynamic range of 250 GeV for EMCal. (C) 2009 Elsevier B.V. All rights reserved. C1 [Wang, Yaping; Cai, Xu; Zhou, Daicui; Yin, Zhongbao; Wang, Dong] Huazhong Normal Univ, Minist Educ, CCNU, Key Lab Quark & Lepton Phys, Wuhan 43079, Peoples R China. [Wang, Yaping; Ma, Ke; Cai, Xu; Zhou, Daicui; Yin, Zhongbao; Wang, Dong] Huazhong Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. [Ma, Ke] Huazhong Univ Sci & Technol, Wuhan 430079, Peoples R China. [Muller, Hans] CERN, PH AID DT, CH-1211 Geneva 23, Switzerland. [Awes, Terry C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wang, YP (reprint author), Huazhong Normal Univ, Minist Educ, CCNU, Key Lab Quark & Lepton Phys, Wuhan 43079, Peoples R China. EM wangyaping@mail.ccnu.edu.cn NR 8 TC 6 Z9 6 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 369 EP 371 DI 10.1016/j.nima.2009.09.022 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700113 ER PT J AU Whitmore, J AF Whitmore, Juliana TI CMS Hadron Calorimeter front-end upgrade for SLHC Phase I SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE CMS; Hadron; Calorimeter; Front end; Electronics; Upgrade; SLHC AB We present an upgrade plan for the CMS HCAL detector. The HCAL upgrade is required for the increased luminosity (3 x 10(34)) of SLHC Phase I, which is targeted for 2014. A key aspect of the HCAL upgrade is to add longitudinal segmentation to improve background rejection, energy resolution, and electron isolation at L1 trigger. The increased segmentation is achieved by replacing the hybrid photodiodes (HPDs) with silicon PMTs (SIPMs). We plan to instrument each fiber of the calorimeter with an SIPM (103,000 total). We will then electrically sum outputs from selected SIPMs to form the longitudinal readout segments. In addition to having more longitudinal information, the upgrade plans include a new custom ADC with matched sensitivity and timing information. The increased data volume requires higher speed transmitters. The additional power dissipation for the readout electronics requires better thermal design, since much of the on-detector infrastructure (front-end electronics crates, cooling pipes, optical fiber plant, etc.) will remain the same. We will report the preliminary designs for these upgraded systems, along with performance requirements and initial design studies. (C) 2009 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Whitmore, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM jaws@fnal.gov NR 10 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 372 EP 374 DI 10.1016/j.nima.2009.08.088 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700114 ER PT J AU Yarema, R Deptuch, G Hoff, J Shenai, A Trimpl, M Zimmerman, T Demarteau, M Lipton, R Christian, D AF Yarema, Raymond Deptuch, Grezgorz Hoff, Jim Shenai, Alpana Trimpl, Marcel Zimmerman, Tom Demarteau, Marcel Lipton, Ron Christian, Dave TI 3D design activities at Fermilab-Opportunities for physics SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Vertical integration; 3D integration AB Fermilab began exploring the technologies for vertically integrated circuits (also commonly known as 3D circuits) in 2006. These technologies include through silicon vias (TSV), circuit thinning, and bonding techniques to replace conventional bump bonds. Since then, the interest within the High Energy Physics community has grown considerably. This paper will present an overview of the activities at Fermilab over the last 3 years which have helped spark this interest. Published by Elsevier B.V. C1 [Yarema, Raymond; Deptuch, Grezgorz; Hoff, Jim; Shenai, Alpana; Trimpl, Marcel; Zimmerman, Tom; Demarteau, Marcel; Lipton, Ron; Christian, Dave] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Yarema, R (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM yarema@fnal.gov NR 3 TC 18 Z9 18 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 375 EP 377 DI 10.1016/j.nima.2009.09.045 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700115 ER PT J AU Freeman, J AF Freeman, Jim TI Silicon photomultipliers for the CMS hadron calorimeter SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE CMS; Hadron; Calorimeter; Photodetectors; SIPM; Upgrade; SLHC AB We present a plan for upgrading the CMS HCAL photodetectors with Silicon Photomultipliers (SIPM). (C) 2009 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Freeman, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM freeman@fnal.gov NR 4 TC 5 Z9 6 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 393 EP 395 DI 10.1016/j.nima.2009.10.132 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700121 ER PT J AU Kapustinsky, JS AF Kapustinsky, Jon S. CA PHENIX Collaboration TI Production and performance of the silicon sensor and custom readout electronics for the PHENIX FVTX tracker SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Silicon microstrip; Silicon vertex tracker; CMOS ASIC; Heavy quarks; Quark-gluon plasma AB The Forward Silicon Vertex Tracker (FVTX) upgrade for the PHENIX detector at RHIC will extend the vertex capability of the central PHENIX Silicon Vertex Tracker (VTX). The FVTX is designed with adequate spatial resolution to separate decay muons coming from the relatively long-lived heavy quark mesons (Charm and Beauty), from prompt particles and the longer-lived pion and kaon decays that originate at the primary collision vertex. These heavy quarks can be used to probe the high-density medium that is formed in Au + Au collisions at RHIC. The FVTX is designed as two endcaps. Each endcap comprises four silicon disks covering opening angles from 10 degrees to 35 degrees to match the existing muon arm acceptance. Each disk consists of p-on-n, silicon wedges, with ac-coupled mini-strips on 75 mu m radial pitch and projective length in the phi direction that increases with radius. A custom front-end chip, the FPHX, has been designed for the FVTX. The chip combines fast trigger capability with data push architecture in a low-power design. Published by Elsevier B.V. C1 [Kapustinsky, Jon S.; PHENIX Collaboration] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kapustinsky, JS (reprint author), Los Alamos Natl Lab, Mailstop H846,POB 1663, Los Alamos, NM 87545 USA. EM jonk@lanl.gov NR 1 TC 7 Z9 7 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 546 EP 548 DI 10.1016/j.nima.2009.09.036 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700171 ER PT J AU Li, Z Eremin, V Harkonen, J Luukka, P Tuominen, E Tuovinen, E Verbitskaya, E AF Li, Zheng Eremin, V. Harkonen, J. Luukka, P. Tuominen, E. Tuovinen, E. Verbitskaya, E. TI Modeling, simulation and data fitting of the charge injected diodes (CID) for SLHC tracking applications SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Radiation hardness; CID; Si detectors; Charge collection ID SILICON DETECTORS; IRRADIATED SILICON; SI DETECTORS; ENVIRONMENT AB Modeling and simulations have been performed for the charge injected diodes (CID) for the application in SLHC. MIP-induced current and charges have been calculated for segmented detectors with various radiation fluences, up to the highest SLHC fluence of 1 x 1016 n(eq)/cm(2). Although the main advantage of CID detectors is their virtual full depletion at any radiation fluence at a modest bias voltage (< 600 V), the simulation of CID and fitting to the existing data have shown that the CID operation mode also reduces the free carrier trapping, resulting in a much higher charge collection at the SLHC fluence than that in a standard Si detector. The reduction in free carrier trapping by almost one order of magnitude is due to the fact that the CID mode also pre-fills the traps, making them neutral and not active in trapping. It has been found that, electron traps can be pre-filled by injection of electrons from the n(+) contact, and hole traps can be pre-filled by injection of holes from the p(+) contact. The CID mode of detector operation can be achieved by a modestly low temperature of around -40 degrees C, achievable by the proposed CO(2) cooling for detector upgrades in SLHC. High charge collection comparable to the 3D electrode Si detectors makes the CID Si detector a valuable alternative for SLHC detectors for its much easier fabrication process. (C) 2009 Elsevier B.V. All rights reserved. C1 [Li, Zheng] Brookhaven Natl Lab, Upton, NY 11973 USA. [Eremin, V.; Verbitskaya, E.] AF Ioffe Phys Tech Inst, St Petersburg, Russia. [Harkonen, J.; Luukka, P.; Tuominen, E.; Tuovinen, E.] Helsinki Inst Phys, Helsinki, Finland. RP Li, Z (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM zhengl@bnl.gov RI Verbitskaya, Elena/D-1521-2014; Tuominen, Eija/A-5288-2017; OI Tuominen, Eija/0000-0002-7073-7767; Luukka, Panja/0000-0003-2340-4641 NR 10 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 552 EP 557 DI 10.1016/j.nima.2009.10.036 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700173 ER PT J AU Mondragon, MN AF Mondragon, Miguel N. CA CDF Run II Silicon Grp TI Operational experience with the CDF Run ll Silicon Detector SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th Pisa Meeting on Advanced Detectors CY MAY 24-30, 2009 CL Isola Elba, ITALY DE Silicon detector; Vertex detector; Tracker; CDF; Cooling AB The CDF Run II Silicon Detector is the largest operating silicon detector in High Energy Physics. Its 722,000 channels spread over 7 m(2) of silicon micro-strip sensors allow precision tracking and vertexing. The CDF silicon detector played a critical role in the discovery of B(s) mixing and is used extensively for the current Higgs Boson searches. Over the last 7 years, the detector efficiency has remained stable at 95% after the Run II commissioning period. The infrastructure (cooling, power supplies) problems dealt with are discussed. Published by Elsevier B.V. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Mondragon, MN (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mmondra@fnal.gov NR 7 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD MAY 11 PY 2010 VL 617 IS 1-3 BP 571 EP 572 DI 10.1016/j.nima.2009.10.038 PG 2 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 617CP UT WOS:000279258700179 ER PT J AU Halpern-Manners, NW Bajaj, VS Teisseyre, TZ Pines, A AF Halpern-Manners, Nicholas W. Bajaj, Vikram S. Teisseyre, Thomas Z. Pines, Alexander TI Magnetic resonance imaging of oscillating electrical currents SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE current imaging; EEG; magnetoencephalography ID ULTRA-LOW FIELD; NEURONAL-ACTIVITY; CURRENT-DENSITY; MRI DETECTION; THETA-OSCILLATIONS; REMOTE DETECTION; HUMAN BRAIN; CORTEX; SIGNAL; NERVE AB Functional MRI has become an important tool of researchers and clinicians who seek to understand patterns of neuronal activation that accompany sensory and cognitive processes. However, the interpretation of fMRI images rests on assumptions about the relationship between neuronal firing and hemodynamic response that are not firmly grounded in rigorous theory or experimental evidence. Further, the blood-oxygen-level-dependent effect, which correlates an MRI observable to neuronal firing, evolves over a period that is 2 orders of magnitude longer than the underlying processes that are thought to cause it. Here, we instead demonstrate experiments to directly image oscillating currents by MRI. The approach rests on a resonant interaction between an applied rf field and an oscillating magnetic field in the sample and, as such, permits quantitative, frequency-selective measurements of current density without spatial or temporal cancellation. We apply this method in a current loop phantom, mapping its magnetic field and achieving a detection sensitivity near the threshold required for the detection of neuronal currents. Because the contrast mechanism is under spectroscopic control, we are able to demonstrate how ramped and phase-modulated spin-lock radiation can enhance the sensitivity and robustness of the experiment. We further demonstrate the combination of these methods with remote detection, a technique in which the encoding and detection of an MRI experiment are separated by sample flow or translation. We illustrate that remotely detected MRI permits the measurement of currents in small volumes of flowing water with high sensitivity and spatial resolution. C1 [Halpern-Manners, Nicholas W.; Bajaj, Vikram S.; Teisseyre, Thomas Z.; Pines, Alexander] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Halpern-Manners, Nicholas W.; Bajaj, Vikram S.; Teisseyre, Thomas Z.; Pines, Alexander] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Teisseyre, Thomas Z.] Univ Calif Berkeley, Joint Grad Grp Bioengn, Berkeley, CA 94720 USA. [Teisseyre, Thomas Z.] Univ Calif San Francisco, San Francisco, CA 94158 USA. RP Bajaj, VS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM vsbajaj@lbl.gov FU Director, Office of Science, Office of Basic Energy Sciences, and Materials Sciences Divisions of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation FX The authors acknowledge Professor David Wemmer for careful reading of the manuscript and Professor Alan Jasanoff for bringing to our attention the related SIRS experiment. This work is supported by the Director, Office of Science, Office of Basic Energy Sciences, and Materials Sciences Divisions of the U. S. Department of Energy under contract DE-AC02-05CH11231. T.Z.T. acknowledges receipt of a Graduate Research Fellowship from the National Science Foundation. NR 47 TC 15 Z9 15 U1 1 U2 8 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 11 PY 2010 VL 107 IS 19 BP 8519 EP 8524 DI 10.1073/pnas.1003146107 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 595DP UT WOS:000277591200008 PM 20421504 ER PT J AU Lin, YW Yeung, N Gao, YG Miner, KD Tian, SL Robinson, H Lu, Y AF Lin, Ying-Wu Yeung, Natasha Gao, Yi-Gui Miner, Kyle D. Tian, Shiliang Robinson, Howard Lu, Yi TI Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE biomimetic models; heme-copper oxidase; metalloprotein; protein design; protein engineering ID HEME-COPPER OXIDASES; CYTOCHROME-C-OXIDASE; DE-NOVO DESIGN; ACTIVE-SITE; SPECTROSCOPIC CHARACTERIZATION; PARACOCCUS-HALODENITRIFICANS; PSEUDOMONAS-STUTZERI; PROTEIN; PROTON; MODEL AB A structural and functional model of bacterial nitric oxide reductase (NOR) has been designed by introducing two glutamates (Glu) and three histidines (His) in sperm whale myoglobin. X-ray structural data indicate that the three His and one Glu (V68E) residues bind iron, mimicking the putative Fe(B) site in NOR, while the second Glu (I107E) interacts with a water molecule and forms a hydrogen bonding network in the designed protein. Unlike the first Glu (V68E), which lowered the heme reduction potential by similar to 110 mV, the second Glu has little effect on the heme potential, suggesting that the negatively charged Glu has a different role in redoxtuning. More importantly, introducing the second Glu resulted in a similar to 100% increase in NOR activity, suggesting the importance of a hydrogen bonding network in facilitating proton delivery during NOR reactivity. In addition, EPR and X-ray structural studies indicate that the designed protein binds iron, copper, or zinc in the FeB site, each with different effects on the structures and NOR activities, suggesting that both redox activity and an intermediate five-coordinate heme-NO species are important for high NOR activity. The designed protein offers an excellent model for NOR and demonstrates the power of using designed proteins as a simpler and more well-defined system to address important chemical and biological issues. C1 [Lin, Ying-Wu; Yeung, Natasha; Tian, Shiliang; Lu, Yi] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Gao, Yi-Gui] Univ Illinois, George L Clark Xray Facil & Mat Lab 3M, Urbana, IL 61801 USA. [Miner, Kyle D.] Univ Illinois, Dept Biochem, Urbana, IL 61801 USA. [Robinson, Howard] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Lu, Y (reprint author), Univ Illinois, Dept Chem, 1209 W Calif St, Urbana, IL 61801 USA. EM yi-lu@illinois.edu RI Lu, Yi/B-5461-2010; Tian, Shiliang/K-4676-2014; Tian, Shiliang/L-2290-2014 OI Lu, Yi/0000-0003-1221-6709; Tian, Shiliang/0000-0002-9830-5480 FU NIH [GM062211] FX We thank Dr. Mark J. Nilges for help with EPR analysis, and Furong Sun and Beth D. Eves for aiding in GC/MS data collection. This work was supported by NIH Grant GM062211. NR 64 TC 65 Z9 65 U1 1 U2 21 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 11 PY 2010 VL 107 IS 19 BP 8581 EP 8586 DI 10.1073/pnas.1000526107 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 595DP UT WOS:000277591200018 PM 20421510 ER PT J AU Baker, BJ Comolli, LR Dick, GJ Hauser, LJ Hyatt, D Dill, BD Land, ML VerBerkmoes, NC Hettich, RL Banfield, JF AF Baker, Brett J. Comolli, Luis R. Dick, Gregory J. Hauser, Loren J. Hyatt, Doug Dill, Brian D. Land, Miriam L. VerBerkmoes, Nathan C. Hettich, Robert L. Banfield, Jillian F. TI Enigmatic, ultrasmall, uncultivated Archaea SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE acid mine drainage; archaeal Richmond Mine acidophilic nanoorganisms; metagenomics; phylogeny; microbial ecology ID ACID-MINE DRAINAGE; NANOARCHAEUM-EQUITANS; GENOMIC ANALYSIS; IGNICOCCUS-HOSPITALIS; MICROBIAL COMMUNITIES; REVEALS; BACTERIA; RECONSTRUCTION; PROKARYOTES; EUKARYOTES AB Metagenomics has provided access to genomes of as yet uncultivated microorganisms in natural environments, yet there are gaps in our knowledge-particularly for Archaea-that occur at relatively low abundance and in extreme environments. Ultrasmall cells (<500 nm in diameter) from lineages without cultivated representatives that branch near the crenarchaeal/euryarchaeal divide have been detected in a variety of acidic ecosystems. We reconstructed composite, near-complete similar to 1-Mb genomes for three lineages, referred to as ARMAN (archaeal Richmond Mine acidophilic nanoorganisms), from environmental samples and a biofilm filtrate. Genes of two lineages are among the smallest yet described, enabling a 10% higher coding density than found genomes of the same size, and there are noncontiguous genes. No biological function could be inferred for up to 45% of genes and no more than 63% of the predicted proteins could be assigned to a revised set of archaeal clusters of orthologous groups. Some core metabolic genes are more common in Crenarchaeota than Euryarchaeota, up to 21% of genes have the highest sequence identity to bacterial genes, and 12 belong to clusters of orthologous groups that were previously exclusive to bacteria. A small subset of 3D cryo-electron tomographic reconstructions clearly show penetration of the ARMAN cell wall and cytoplasmic membranes by protuberances extended from cells of the archaeal order Thermoplasmatales. Interspecies interactions, the presence of a unique internal tubular organelle [Comolli, et al. (2009) ISME J 3: 159-167], and many genes previously only affiliated with Crenarchaea or Bacteria indicate extensive unique physiology in organisms that branched close to the time that Cren- and Euryarchaeotal lineages diverged. C1 [Baker, Brett J.; Dick, Gregory J.; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Comolli, Luis R.] Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. [Hauser, Loren J.; Hyatt, Doug; Land, Miriam L.] Oak Ridge Natl Lab, Bioscis Div, Oak Ridge, TN 37831 USA. [Dill, Brian D.; VerBerkmoes, Nathan C.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Banfield, JF (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. EM jbanfield@berkeley.edu RI Dick, Gregory/D-8901-2012; Hauser, Loren/H-3881-2012; Baker, Brett/P-1783-2014; Land, Miriam/A-6200-2011; Hettich, Robert/N-1458-2016; OI Dick, Gregory/0000-0001-7666-6288; Baker, Brett/0000-0002-5971-1021; Land, Miriam/0000-0001-7102-0031; Hettich, Robert/0000-0001-7708-786X; Dill, Brian/0000-0002-4532-3044 FU US Department of Energy's Office of Science [DE-FG02-05ER64134]; National Aeronautics and Space Administration Astrobiology Institute; University of California, Lawrence Berkeley National Laboratory; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX We thank Gene Tyson and Eric Allen for assistance with filtration and genomic DNA preparations, Mr. Ted Arman (President, Iron Mountain Mines), Mr. Rudy Carver, and Dr. Richard Sugarek for site access and other assistance, Dr. Sussanah Tringe for sequencing logistics, Manesh Shah for assistance with proteomic analyses, and Dr. Hans Truper for the naming of the ARMAN groups. This work was funded by the US Department of Energy's Office of Science, Biological and Environmental Research Program (DOE Genomics: GTL project Grant DE-FG02-05ER64134), the National Aeronautics and Space Administration Astrobiology Institute, and by Laboratory Directed Research and Development support from the University of California, Lawrence Berkeley National Laboratory. This work was also supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract DE-AC02-05CH11231. The sequencing was provided through the Community Sequencing Program at the Department of Energy Joint Genome Institute. NR 42 TC 118 Z9 122 U1 2 U2 62 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 11 PY 2010 VL 107 IS 19 BP 8806 EP 8811 DI 10.1073/pnas.0914470107 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 595DP UT WOS:000277591200057 PM 20421484 ER PT J AU Walker, CB de la Torre, JR Klotz, MG Urakawa, H Pinel, N Arp, DJ Brochier-Armanet, C Chain, PSG Chan, PP Gollabgir, A Hemp, J Hugler, M Karr, EA Konneke, M Shin, M Lawton, TJ Lowe, T Martens-Habbena, W Sayavedra-Soto, LA Lang, D Sievert, SM Rosenzweig, AC Manning, G Stahl, DA AF Walker, C. B. de la Torre, J. R. Klotz, M. G. Urakawa, H. Pinel, N. Arp, D. J. Brochier-Armanet, C. Chain, P. S. G. Chan, P. P. Gollabgir, A. Hemp, J. Huegler, M. Karr, E. A. Koenneke, M. Shin, M. Lawton, T. J. Lowe, T. Martens-Habbena, W. Sayavedra-Soto, L. A. Lang, D. Sievert, S. M. Rosenzweig, A. C. Manning, G. Stahl, D. A. TI Nitrosopumilus maritimus genome reveals unique mechanisms for nitrification and autotrophy in globally distributed marine crenarchaea SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE ammonia oxidation; marine microbiology; archaea; nitroxyl ID PROTEIN DISULFIDE-ISOMERASE; AMMONIA OXIDATION; NITRIFYING ARCHAEA; CELL-DIVISION; CO2 FIXATION; OCEAN; BACTERIA; SYSTEM; GENES; CYCLE AB Ammonia-oxidizing archaea are ubiquitous in marine and terrestrial environments and now thought to be significant contributors to carbon and nitrogen cycling. The isolation of Candidatus "Nitrosopumilus maritimus" strain SCM1 provided the opportunity for linking its chemolithotrophic physiology with a genomic inventory of the globally distributed archaea. Here we report the 1,645,259-bp closed genome of strain SCM1, revealing highly copper-dependent systems for ammonia oxidation and electron transport that are distinctly different from known ammonia-oxidizing bacteria. Consistent with in situ isotopic studies of marine archaea, the genome sequence indicates N. maritimus grows autotrophically using a variant of the 3-hydroxypropionate/4-hydroxybutryrate pathway for carbon assimilation, while maintaining limited capacity for assimilation of organic carbon. This unique instance of archaeal biosynthesis of the osmoprotectant ectoine and an unprecedented enrichment of multicopper oxidases, thioredoxin-like proteins, and transcriptional regulators points to an organism responsive to environmental cues and adapted to handling reactive copper and nitrogen species that likely derive from its distinctive biochemistry. The conservation of N. maritimus gene content and organization within marine metagenomes indicates that the unique physiology of these specialized oligophiles may play a significant role in the biogeochemical cycles of carbon and nitrogen. C1 [Walker, C. B.; de la Torre, J. R.; Urakawa, H.; Pinel, N.; Martens-Habbena, W.; Stahl, D. A.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. [Walker, C. B.] Geosyntec Consultants, Seattle, WA 98101 USA. [Klotz, M. G.] Univ Louisville, Dept Biol, Louisville, KY 40292 USA. [Arp, D. J.; Sayavedra-Soto, L. A.] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA. [Brochier-Armanet, C.] Univ Prov Aix Marseille 1, Chim Bacterienne Lab, CNRS, Unite Propre Rech, F-13402 Marseille, France. [Chain, P. S. G.; Shin, M.; Lang, D.] Lawrence Livermore Natl Lab, Biosci Div, Livermore, CA 94550 USA. [Chain, P. S. G.; Shin, M.; Lang, D.] Joint Genome Inst, Microbial Program, Walnut Creek, CA 94598 USA. [Chain, P. S. G.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Chan, P. P.; Lowe, T.] Univ Calif Santa Cruz, Dept Biomol Engn, Santa Cruz, CA 95064 USA. [Gollabgir, A.; Manning, G.] Salk Inst Biol Studies, Razavi Newman Ctr Bioinformat, La Jolla, CA 92037 USA. [Hemp, J.] Univ Illinois, Sch Chem Sci, Urbana, IL 61801 USA. [Huegler, M.] Leibniz Inst Meereswissensch, D-24105 Kiel, Germany. [Huegler, M.] Water Technol Ctr, D-76139 Karlsruhe, Germany. [Karr, E. A.] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Koenneke, M.] Carl von Ossietzky Univ Oldenburg, Inst Chem & Biol Meeres, D-26129 Oldenburg, Germany. [Lawton, T. J.; Rosenzweig, A. C.] Northwestern Univ, Dept Biochem, Evanston, IL 60208 USA. [Lawton, T. J.; Rosenzweig, A. C.] Northwestern Univ, Dept Mol Biol & Cell Biol, Evanston, IL 60208 USA. [Lawton, T. J.; Rosenzweig, A. C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Sievert, S. M.] Woods Hole Oceanog Inst, Dept Biol, Woods Hole, MA 02543 USA. RP Stahl, DA (reprint author), Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. EM dastahl@u.washington.edu RI chain, patrick/B-9777-2013; de la Torre, Jose/H-2081-2012; Martens-Habbena, Willm/I-7656-2013; Urakawa, Hidetoshi/B-1337-2013; Klotz, Martin/D-2091-2009; OI Martens-Habbena, Willm/0000-0002-8495-9125; Urakawa, Hidetoshi/0000-0003-3748-6027; Klotz, Martin/0000-0002-1783-375X; Sievert, Stefan/0000-0002-9541-2707; Manning, Gerard/0000-0002-5087-9151; Hemp, James/0000-0001-7193-0553 FU Department of Energy; National Science Foundation [MCB-0604448, MCB-0920741, OCE-0623174, OCE-0623908, EF-0412129]; University of Louisville VP Research office; Deutsche Forschungsgemeinschaft; US Department of Agriculture [2010-65115-20380]; Salk Institute Innovation FX The authors thank David Bruce and Paul Richardson from the Joint Genome Institute for facilitating genome sequencing. This work was supported by the Department of Energy Microbial Genome Program, by National Science Foundation Microbial Interactions and Processes Grant MCB-0604448 (to D. A. S. and J.R.d.l.T.), by National Science Foundation Molecular and Cellular Biosciences Grant MCB-0920741 (to D. A. S.), by National Science Foundation Biological Oceanography Grants OCE-0623174 (to D. A. S.) and OCE-0623908 (to S. M. S.), by National Science Foundation Grant EF-0412129 (to M. G. K.), by incentive funds from the University of Louisville VP Research office (to M. G. K.), by the Deutsche Forschungsgemeinschaft (M. K.), by US Department of Agriculture Grant 2010-65115-20380 (to A. C. R.), and by a Salk Institute Innovation Grant (to G. M.). NR 55 TC 368 Z9 384 U1 23 U2 160 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 11 PY 2010 VL 107 IS 19 BP 8818 EP 8823 DI 10.1073/pnas.0913533107 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 595DP UT WOS:000277591200059 PM 20421470 ER PT J AU Gaufin, T Ribeiro, RM Gautam, R Dufour, J Mandell, D Apetrei, C Pandrea, I AF Gaufin, Thaidra Ribeiro, Ruy M. Gautam, Rajeev Dufour, Jason Mandell, Daniel Apetrei, Cristian Pandrea, Ivona TI Experimental depletion of CD8(+) cells in acutely SIVagm-Infected African Green Monkeys results in increased viral replication SO RETROVIROLOGY LA English DT Article ID SIMIAN-IMMUNODEFICIENCY-VIRUS; CD4(+) T-CELLS; NONHUMAN PRIMATE HOSTS; NATURAL-KILLER-CELLS; RHESUS MACAQUES; SOOTY MANGABEYS; IN-VIVO; LYMPHOCYTE RESPONSES; MONOCLONAL-ANTIBODY; MANDRILLUS-SPHINX AB Background: In vivo CD8(+) cell depletions in pathogenic SIV infections identified a key role for cellular immunity in controlling viral load (VL) and disease progression. However, similar studies gave discordant results in chronically-infected SMs, leading some authors to propose that in natural hosts, SIV replication is independent of cellular immunity. To assess the role of cellular immune responses in the control of SIV replication in natural hosts, we investigated the impact of CD8(+) cell depletion during acute SIV infection in AGMs. Results: Nine AGMs were infected with SIVagm. sab and were followed up to day 225 p.i. Four were intravenously infused with the cM-T807 antibody on days 0 (50 mg/kg), 6, and 13 (10 mg/kg, respectively) post infection (p.i.). CD8(+) cells were depleted for up to 28 days p.i. in peripheral blood and LNs in all treated AGMs. Partial CD8(+) T cell depletion occurred in the intestine. SIVagm VLs peaked at similar levels in both groups (10(7)-10(8) RNA copies/ml). However, while VLs were controlled in undepleted AGMs, reaching set-point levels (10(4)-10(5) RNA copies/ml) by day 28 p.i., high VLs (>10(6) RNA copies/ml) were maintained by day 21 p.i. in CD8-depleted AGMs. By day 42 p.i., VLs were comparable between the two groups. The levels of immune activation and proliferation remained elevated up to day 72 p. i. in CD8-depleted AGMs and returned to preinfection levels in controls by day 28 p.i. None of the CD8-depleted animals progressed to AIDS. Conclusion: CD8(+) cells are responsible for a partial control of postacute viral replication in SIVagm. sab-infected AGMs. In contrast to macaques, the SIVagm-infected AGMs are able to control viral replication after recovery of the CD8(+) T cells and avoid disease progression. C1 [Pandrea, Ivona] Tulane Natl Primate Res Ctr, Div Comparat Pathol, Covington, LA 70433 USA. [Pandrea, Ivona] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA 15261 USA. [Gaufin, Thaidra; Gautam, Rajeev; Mandell, Daniel; Apetrei, Cristian] Tulane Natl Primate Res Ctr, Div Microbiol, Covington, LA 70433 USA. [Ribeiro, Ruy M.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87544 USA. [Dufour, Jason] Tulane Natl Primate Res Ctr, Div Vet Sci, Covington, LA 70433 USA. RP Pandrea, I (reprint author), Tulane Natl Primate Res Ctr, Div Comparat Pathol, Covington, LA 70433 USA. EM pandrea@pitt.edu OI Ribeiro, Ruy/0000-0002-3988-8241 FU National Institute of Allergy and Infectious Diseases, National Center for Research Resources [R01 AI064066, R21 AI069935, R01 AI065325, P20 RR020159, P51 RR000164] FX We thank Louis Picker, Keith Reimann and Ronald Veazey for helpful discussions; Division of Veterinary Medicine of the TNPRC for animal care; and Robin Rodriguez for help in preparing figures. This work was supported by grants: R01 AI064066 and R21 AI069935 (IP), R01 AI065325 and P20 RR020159 (CA), and P51 RR000164 (TNPRC) from the National Institute of Allergy and Infectious Diseases from the National Center for Research Resources. NR 60 TC 24 Z9 24 U1 0 U2 0 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1742-4690 J9 RETROVIROLOGY JI Retrovirology PD MAY 11 PY 2010 VL 7 AR 42 DI 10.1186/1742-4690-7-42 PG 13 WC Virology SC Virology GA 605EU UT WOS:000278331200001 PM 20459829 ER PT J 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. TI Comparing the use of mid-infrared versus far-infrared lasers for mitigating damage growth on fused silica SO APPLIED OPTICS LA English DT Article ID 351 NM; TEMPERATURE; OPTICS; GLASS; RAMAN AB Laser-induced growth of optical damage can limit component lifetime and, therefore, increase operating costs of large-aperture fusion-class laser systems. While far-infrared (IR) lasers have been used previously to treat laser damage on fused silica optics and render it benign, little is known about the effectiveness of less-absorbing mid-IR lasers for this purpose. In this study, we quantitatively compare the effectiveness and efficiency of mid-IR (4.6 mu m) versus far-IR (10.6 mu m) lasers in mitigating damage growth on fused silica surfaces. The nonlinear volumetric heating due to mid-IR laser absorption is analyzed by solving the heat equation numerically, taking into account the temperature-dependent absorption coefficient alpha(T) at lambda 4.6 mu m, while far-IR laser heating is well described by a linear analytic approximation to the laser-driven temperature rise. In both cases, the predicted results agree well with surface temperature measurements based on IR radiometry, as well as subsurface fictive temperature measurements based on confocal Raman microscopy. Damage mitigation efficiency is assessed using a figure of merit (FOM) relating the crack healing depth to laser power required, under minimally ablative conditions. Based on our FOM, we show that, for cracks up to at least 500 mu m in depth, mitigation with a 4.6 mu m mid-IR laser is more efficient than mitigation with a 10.6 mu m far-IR laser. This conclusion is corroborated by direct application of each laser system to the mitigation of pulsed laser-induced damage possessing fractures up to 225 mu m in depth. (C) 2010 Optical Society of America 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, 7000 E Ave, Livermore, CA 94550 USA. EM yang9@llnl.gov FU U.S. Department of Energy (DOE) [DE-AC52-07NA27344] FX The authors acknowledge Michael Feit, James Stolken, Ryan Vignes, and Isaac Bass for stimulating discussions relating to numerical solution of the heat equation. We would also like to thank Paul Mak from the Naval Research Laboratory for the generous loan of the 4.6 mu m laser. This work performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 24 TC 48 Z9 52 U1 1 U2 16 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD MAY 10 PY 2010 VL 49 IS 14 BP 2606 EP 2616 DI 10.1364/AO.49.002606 PG 11 WC Optics SC Optics GA 593RC UT WOS:000277476800012 ER PT J AU Lee, JH Kuang, P Leung, W Kim, YS Park, JM Kang, H Constant, K Ho, KM AF Lee, Jae-Hwang Kuang, Ping Leung, Wai Kim, Yong-Sung Park, Joong-Mok Kang, Henry Constant, Kristen Ho, Kai-Ming TI Semicrystalline woodpile photonic crystals without complicated alignment via soft lithography SO APPLIED PHYSICS LETTERS LA English DT Article DE crystal symmetry; nanofabrication; nanoparticles; photonic crystals; polymers; soft lithography; titanium compounds; transfer moulding ID INFRARED WAVELENGTHS; BAND-GAP; FABRICATION; CONVERSION; TEMPLATES AB We report the fabrication and characterization of woodpile photonic crystals with up to 12 layers through titania nanoparticle infiltration of a polymer template made by soft lithography. Because the complicated alignment in the conventional layer-by-layer fabrication associated with diamondlike symmetry is replaced by a simple 90 degrees alignment, the fabricated photonic crystal has semicrystalline phase. However, the crystal performs similarly to a perfectly aligned crystal for the light propagation integrated from the surface normal to 30 degrees at the main photonic band gap. (C) 2010 American Institute of Physics. [doi:10.1063/1.3425756] C1 [Lee, Jae-Hwang; Ho, Kai-Ming] Iowa State Univ, Ames Lab, US DOE, Dept Phys & Astron, Ames, IA 50011 USA. [Kuang, Ping; Kang, Henry; Constant, Kristen] Iowa State Univ, Ames Lab, US DOE, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Lee, JH (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM kmh@cmpgroup.ameslab.gov RI Kuang, Ping /G-4103-2012; Constant, Kristen/C-3673-2014; OI Constant, Kristen/0000-0001-7138-9365; , Ping/0000-0002-5896-3032 FU Director for Energy Research, Office of Basic Energy Sciences.; Iowa State University [DE-AC02-07CH11358] FX This work is supported by the Director for Energy Research, Office of Basic Energy Sciences. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 26 TC 3 Z9 3 U1 3 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 10 PY 2010 VL 96 IS 19 AR 193303 DI 10.1063/1.3425756 PG 3 WC Physics, Applied SC Physics GA 597KR UT WOS:000277756400074 ER PT J AU Lee, SH Zhang, XG Smith, B Seo, SSA Bell, ZW Xu, J AF Lee, Sang Hyun Zhang, X. -G. Smith, Barton Seo, Sung Seok A. Bell, Zane W. Xu, Jun TI ZnO-ZnTe nanocone heterojunctions SO APPLIED PHYSICS LETTERS LA English DT Article DE II-VI semiconductors; nanofabrication; nanorods; p-n heterojunctions; pulsed laser deposition; semiconductor growth; vapour deposition; wide band gap semiconductors; zinc compounds ID CORE-SHELL; NANOWIRES; GROWTH; ARRAYS AB We report heterojunctions made of vertically aligned ZnO-ZnTe nanocones synthesized using a combination of thermal vapor deposition and pulsed-laser deposition. ZnO nanocones and nanorods were controlled by utilizing the growth rate difference between central and boundary sites of precursor domains. The p-n heterojunctions were subsequently formed by growing ZnTe as shells on the nanocone surface. Structural and electric characteristics indicate that nanocones are more feasible than nanorods for forming heterojunction. Furthermore, theoretical modeling demonstrates that the nanocone-based junction exhibits an electrostatic potential profile that is much more effective for carrier transport than the electrostatic potential for the nanorod-based junction. (C) 2010 American Institute of Physics. [doi:10.1063/1.3430604] C1 [Lee, Sang Hyun; Zhang, X. -G.; Smith, Barton; Seo, Sung Seok A.; Bell, Zane W.; Xu, Jun] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Xu, J (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM xuj2@ornl.gov RI Seo, Sung Seok/B-6964-2008; OI Seo, Sung Seok/0000-0002-7055-5314; Bell, Zane/0000-0003-1115-8674 FU U.S. Department of Energy, National Nuclear Security Administration [DE-AC05-00OR22725]; ORNL FX The authors thank Jane Howe, G. E. Jellison, Jr., and H. N. Lee of ORNL and An-Jen Chen of the University of Minnesota for their inputs. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, under Contract No. DE-AC05-00OR22725 with ORNL. The synthesis of ZnO nanocones was supported by the Laboratory Directed Research and Development Program of ORNL. NR 18 TC 16 Z9 16 U1 1 U2 30 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 10 PY 2010 VL 96 IS 19 AR 193116 DI 10.1063/1.3430604 PG 3 WC Physics, Applied SC Physics GA 597KR UT WOS:000277756400070 ER PT J AU Xu, XS Ihlefeld, JF Lee, JH Ezekoye, OK Vlahos, E Ramesh, R Gopalan, V Pan, XQ Schlom, DG Musfeldt, JL AF Xu, X. S. Ihlefeld, J. F. Lee, J. H. Ezekoye, O. K. Vlahos, E. Ramesh, R. Gopalan, V. Pan, X. Q. Schlom, D. G. Musfeldt, J. L. TI Tunable band gap in Bi(Fe1-xMnx)O-3 films SO APPLIED PHYSICS LETTERS LA English DT Article DE bismuth compounds; energy gap; iron compounds; manganese compounds; optical properties; thin films ID BIMNO3 AB In order to investigate band gap tunability in polar oxides, we measured the optical properties of a series of Bi(Fe1-xMnx)O-3 thin films. The absorption response of the mixed metal solid solutions is approximately a linear combination of the characteristics of the two end members, a result that demonstrates straightforward band gap tunability in this system. (C) 2010 American Institute of Physics. [doi:10.1063/1.3427499] C1 [Xu, X. S.; Musfeldt, J. L.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Ihlefeld, J. F.; Lee, J. H.; Vlahos, E.; Gopalan, V.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Ihlefeld, J. F.; Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Ihlefeld, J. F.; Lee, J. H.; Schlom, D. G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14855 USA. [Ezekoye, O. K.; Pan, X. Q.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Xu, XS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM musfeldt@utk.edu RI Xu, Xiaoshan/B-1255-2009; Ihlefeld, Jon/B-3117-2009; Schlom, Darrell/J-2412-2013 OI Xu, Xiaoshan/0000-0002-4363-392X; Schlom, Darrell/0000-0003-2493-6113 FU DOE/BES [DE-FG02-01ER45885, DE-FG02-07ER46416, DE-AC02-05CH1123]; "NFS" [DMR-0820404, DMR-0907191, DMR-0908718]; ARO [W911NF-08-2-0032] FX This work was supported by the DOE/BES (Grant Nos. DE-FG02-01ER45885 at UT, DE-FG02-07ER46416 at UM, and DE-AC02-05CH1123 at UC Berkeley), "NFS" (Grant Nos. DMR-0820404 at PSU CU, DMR-0907191 at UM, and DMR-0820404 and DMR-0908718 at PSU), and ARO (Grant No. W911NF-08-2-0032 at CU). We thank P. Baettig, R. Seshadri, and N. A. Spaldin for access to unpublished data. NR 23 TC 28 Z9 30 U1 1 U2 34 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 10 PY 2010 VL 96 IS 19 AR 192901 DI 10.1063/1.3427499 PG 3 WC Physics, Applied SC Physics GA 597KR UT WOS:000277756400050 ER PT J AU Mao, SA Gaensler, BM Haverkorn, M Zweibel, EG Madsen, GJ McClure-Griffiths, NM Shukurov, A Kronberg, PP AF Mao, S. A. Gaensler, B. M. Haverkorn, M. Zweibel, E. G. Madsen, G. J. McClure-Griffiths, N. M. Shukurov, A. Kronberg, P. P. TI A SURVEY OF EXTRAGALACTIC FARADAY ROTATION AT HIGH GALACTIC LATITUDE: THE VERTICAL MAGNETIC FIELD OF THE MILKY WAY TOWARD THE GALACTIC POLES SO ASTROPHYSICAL JOURNAL LA English DT Article DE Galaxy: halo; ISM: magnetic fields; polarization ID LOCAL INTERSTELLAR-MEDIUM; WARM IONIZED MEDIUM; HYBRID COSMIC-RAY; NORTH POLAR SPUR; DISTANT STARS; LINEAR-POLARIZATION; MAGELLANIC-CLOUD; INNER GALAXY; H-ALPHA; BUBBLE AB We present a study of the vertical magnetic field of the Milky Way toward the Galactic poles, determined from observations of Faraday rotation toward more than 1000 polarized extragalactic radio sources at Galactic latitudes vertical bar b vertical bar >= 77 degrees, using the Westerbork Radio Synthesis Telescope and the Australia Telescope Compact Array. We find median rotation measures (RMs) of 0.0 +/- 0.5 rad m(-2) and +6.3 +/- 0.7 rad m(-2) toward the north and south Galactic poles, respectively, demonstrating that there is no coherent vertical magnetic field in the Milky Way at the Sun's position. If this is a global property of the Milky Way's magnetism, then the lack of symmetry across the disk rules out pure dipole or quadrupole geometries for the Galactic magnetic field. The angular fluctuations in RM seen in our data show no preferred scale within the range approximate to 0 degrees.1 to approximate to 25 degrees. The observed standard deviation in RM of similar to 9 rad m(-2) then implies an upper limit of similar to 1 mu G on the strength of the random magnetic field in the warm ionized medium at high Galactic latitudes. C1 [Mao, S. A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Mao, S. A.; McClure-Griffiths, N. M.] CSIRO, Australia Telescope Natl Facil, Epping, NSW 1710, Australia. [Gaensler, B. M.; Madsen, G. J.] Univ Sydney, Sch Phys, Sydney Inst Astron, Sydney, NSW 2006, Australia. [Haverkorn, M.] ASTRON, NL-7991 PD Dwingeloo, Netherlands. [Zweibel, E. G.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Shukurov, A.] Newcastle Univ, Sch Math & Stat, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Kronberg, P. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kronberg, P. P.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. RP Mao, SA (reprint author), Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. EM samao@cfa.harvard.edu RI Gaensler, Bryan/F-8655-2010; OI McClure-Griffiths, Naomi/0000-0003-2730-957X; Shukurov, Anvar/0000-0001-6200-4304; Gaensler, Bryan/0000-0002-3382-9558 FU Australian Research Council [FF0561298]; National Science Foundation; Netherlands Foundation for Scientific Research (NWO); Commonwealth of Australia FX We thank Eve Meyer and Gemma Anderson for helping to carry out the ATCA observations; Observer's friend Ger de Bruyn and Gyula Jozsa for helping with the preparation of the WSRT observations; Robert Braun for helping with the WSRT data calibration with AIPS, Douglas Finkbeiner for useful discussions, and Justin Kasper for detailed discussion on the ionospheric RM correction. This work was supported in part by an Australian Research Council Federation Fellowship (FF0561298) awarded to B. M. G. The Wisconsin H-Alpha Mapper is funded by the National Science Foundation. The Southern H-Alpha Sky Survey Atlas (SHASSA) is supported by the National Science Foundation. The Westerbork Synthesis Radio Telescope is operated by the ASTRON (Netherlands Institute for Radio Astronomy) with support from the Netherlands Foundation for Scientific Research (NWO). The Australia Telescope Compact Array is part of the Australian Telescope, which is funded by the Commonwealth of Australia for operation as a National Facility managed by CSIRO. NR 100 TC 74 Z9 74 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD MAY 10 PY 2010 VL 714 IS 2 BP 1170 EP 1186 DI 10.1088/0004-637X/714/2/1170 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 587ER UT WOS:000276973100016 ER PT J AU Belczynski, K Bulik, T Fryer, CL Ruiter, A Valsecchi, F Vink, JS Hurley, JR AF Belczynski, Krzysztof Bulik, Tomasz Fryer, Chris L. Ruiter, Ashley Valsecchi, Francesca Vink, Jorick S. Hurley, Jarrod R. TI ON THE MAXIMUM MASS OF STELLAR BLACK HOLES SO ASTROPHYSICAL JOURNAL LA English DT Article DE binaries: close; black hole physics; gravitational waves; stars: evolution; stars: neutron ID X-RAY SOURCES; LUMINOUS BLUE VARIABLES; ASYMPTOTIC GIANT BRANCH; METALLICITY DEPENDENCE; POPULATION SYNTHESIS; SOLAR METALLICITY; STAR EVOLUTION; NEUTRON-STAR; MODELS; PARAMETERS AB We present the spectrum of compact object masses: neutron stars and black holes (BHs) that originate from single stars in different environments. In particular, we calculate the dependence of maximum BH mass on metallicity and on some specific wind mass loss rates (e.g., Hurley et al. and Vink et al.). Our calculations show that the highest mass BHs observed in the Galaxy M(bh) similar to 15 M(circle dot) in the high metallicity environment (Z = Z(circle dot) = 0.02) can be explained with stellar models and the wind mass loss rates adopted here. To reach this result we had to set luminous blue variable mass loss rates at the level of similar to 10(-4) M(circle dot) yr(-1) and to employ metallicity-dependent Wolf-Rayet winds. With such winds, calibrated on Galactic BH mass measurements, the maximum BH mass obtained for moderate metallicity (Z = 0.3 Z(circle dot) = 0.006) is M(bh,max) = 30 M(circle dot). This is a rather striking finding as the mass of the most massive known stellar BH is M(bh) = 23-34 M(circle dot) and, in fact, it is located in a small star-forming galaxy with moderate metallicity. We find that in the very low (globular cluster-like) metallicity environment the maximum BH mass can be as high as M(bh,max) = 80 M(circle dot) (Z = 0.01 Z(circle dot) = 0.0002). It is interesting to note that X-ray luminosity from Eddington-limited accretion onto an 80 M(circle dot) BH is of the order of similar to 10(40) erg s(-1) and is comparable to luminosities of some known ultra-luminous X-ray sources. We emphasize that our results were obtained for single stars only and that binary interactions may alter these maximum BH masses (e.g., accretion from a close companion). This is strictly a proof-of-principle study which demonstrates that stellar models can naturally explain even the most massive known stellar BHs. C1 [Belczynski, Krzysztof; Fryer, Chris L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Belczynski, Krzysztof; Bulik, Tomasz] Univ Warsaw, Astron Observ, PL-00478 Warsaw, Poland. [Bulik, Tomasz] Nicolaus Copernicus Astron Ctr, PL-00716 Warsaw, Poland. [Fryer, Chris L.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. [Ruiter, Ashley] New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. [Ruiter, Ashley] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Valsecchi, Francesca] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Vink, Jorick S.] Armagh Observ, Armagh BT61 9DG, North Ireland. [Hurley, Jarrod R.] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia. RP Belczynski, K (reprint author), Los Alamos Natl Lab, POB 1663,MS 466, Los Alamos, NM 87545 USA. EM kbelczyn@nmsu.edu; tb@astrouw.edu.pl; clfreyer@lanl.gov; aruiter@nmsu.edu; francesca@u.northwestern.edu; jsv@arm.ac.uk; JHurley@groupwise.swin.edu.au FU KBN [N N203 302835]; U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We express special thanks to Vicky Kalogera for critical comments. K. B. and T. B. acknowledge the support from KBN grant N N203 302835. This work was carried out in part under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory and supported by contract no. DE-AC52-06NA25396. NR 68 TC 163 Z9 163 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD MAY 10 PY 2010 VL 714 IS 2 BP 1217 EP 1226 DI 10.1088/0004-637X/714/2/1217 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 587ER UT WOS:000276973100020 ER PT J AU Alam, U AF Alam, Ujjaini TI CONSTRAINING PERTURBATIVE EARLY DARK ENERGY WITH CURRENT OBSERVATIONS SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic background radiation; dark energy ID HUBBLE-SPACE-TELESCOPE; POWER SPECTRUM; COSMOLOGICAL CONSTANT; ACCELERATING UNIVERSE; DATA SETS; SUPERNOVAE; DISCOVERIES; LAMBDA; MODELS AB In this work, we study a class of early dark energy (EDE) models, in which, unlike in standard dark energy models, a substantial amount of dark energy exists in the matter-dominated era. We self-consistently include dark energy perturbations, and constrain these models using current observations. We consider EDE models in which the dark energy equation of state is at least w(m) greater than or similar to -0.1 at early times, which could lead to an EDE density of up to Omega(DE)(z(CMB)) = 0.03 Omega(m)(z(CMB)). Our analysis shows that marginalizing over the non-DE parameters such as Omega(m), H-0, and n(s), current CMB observations alone can constrain the scale factor of transition from EDE to late-time dark energy to a(t) greater than or similar to 0.44 and width of transition to Delta(t) less than or similar to 0.37. The equation of state at present is somewhat weakly constrained to w(0) less than or similar to -0.6, if we allow H-0 < 60 km s(-1) Mpc(-1). Taken together with other observations, such as SNe, Hubble Space Telescope, and Sloan Digital Sky Survey luminous red galaxies, w(0) is constrained much more tightly to w(0) less than or similar to -0.9, while redshift of transition and width of transition are also tightly constrained to a(t) less than or similar to 0.19 and Delta(t) less than or similar to 0.21. The evolution of the equation of state for EDE models is thus tightly constrained to Lambda CDM-like behavior at low redshifts. Incorrectly assuming dark energy perturbations to be negligible leads to different constraints on the equation of state parameters-w(0) less than or similar to -0.8, a(t) less than or similar to 0.33, and Delta(t) less than or similar to 0.31, thus highlighting the necessity of self-consistently including dark energy perturbations in the analysis. If we allow the spatial curvature to be a free parameter, then the constraints are relaxed to w(0) less than or similar to -0.77, a(t) less than or similar to 0.35, and Delta(t) less than or similar to 0.35 with -0.014 < Omega(kappa) < 0.031 for CMB + other observations. For perturbed EDE models, the 2 sigma lower limit on sigma(8) (sigma(8) >= 0.59) is much lower than that in Lambda CDM (sigma(8) >= 0.72), thus raising the interesting possibility of discriminating EDE from Lambda CDM using future observations such as halo mass functions or the Sunyaev-Zeldovich power spectrum. C1 Los Alamos Natl Lab, ISR Div, ISR 1, Los Alamos, NM 87545 USA. RP Alam, U (reprint author), Los Alamos Natl Lab, ISR Div, ISR 1, POB 1663, Los Alamos, NM 87545 USA. FU Los Alamos National Laboratory FX The author thanks S. Bhattacharya, J. Bullock, S. Habib, K. Heitmann, M. Kaplinghat, Z. Lukic, A. Pope, and S. Zoudaki for interesting discussions, and the referee for useful comments. This work was supported by the LDRD program at Los Alamos National Laboratory. NR 49 TC 9 Z9 9 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 10 PY 2010 VL 714 IS 2 BP 1460 EP 1469 DI 10.1088/0004-637X/714/2/1460 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 587ER UT WOS:000276973100041 ER PT J AU Freeman, J AF Freeman, J. TI INNOVATIONS FOR THE CMS HCAL SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Review DE LHC; CMS; hadron calorimeter ID HYBRID PHOTODIODE; HADRON CALORIMETER; DESIGN C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Freeman, J (reprint author), Fermilab Natl Accelerator Lab, MS 205, Batavia, IL 60510 USA. EM freeman@fnal.ger NR 11 TC 3 Z9 3 U1 2 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD MAY 10 PY 2010 VL 25 IS 12 BP 2421 EP 2436 DI 10.1142/S0217751X10049682 PG 16 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 596MI UT WOS:000277688800002 ER PT J AU Ohlsson, J Schlatter, P Fischer, PF Henningson, DS AF Ohlsson, Johan Schlatter, Philipp Fischer, Paul F. Henningson, Dan S. TI Direct numerical simulation of separated flow in a three-dimensional diffuser SO JOURNAL OF FLUID MECHANICS LA English DT Article ID NAVIER-STOKES EQUATIONS; SPECTRAL ELEMENT METHOD; LARGE-EDDY SIMULATION; ASYMMETRIC DIFFUSER; TURBULENT-FLOW AB A direct numerical simulation (DNS) of turbulent flow in a three-dimensional diffuser at Re = 10 000 (based on bulk velocity and inflow-duct height) was performed with a massively parallel high-order spectral element method running on up to 32 768 processors. Accurate inflow condition is ensured through unsteady trip forcing and a long development section. Mean flow results are in good agreement with experimental data by Cherry et al. (Intl J. Heat Fluid Flow, vol. 29, 2008, pp. 803-811), in particular the separated region starting from one corner and gradually spreading to the top expanding diffuser wall. It is found that the corner vortices induced by the secondary flow in the duct persist into the diffuser, where they give rise to a dominant low-speed streak, due to a similar mechanism as the 'lift-up effect' in transitional shear flows, thus governing the separation behaviour. Well-resolved simulations of complex turbulent flows are thus possible even at realistic Reynolds numbers, providing accurate and detailed information about the flow physics. The available Reynolds stress budgets provide valuable references for future development of turbulence models. C1 [Ohlsson, Johan; Schlatter, Philipp; Henningson, Dan S.] KTH Mech, Linne Flow Ctr, SE-10044 Stockholm, Sweden. [Fischer, Paul F.] Argonne Natl Lab, MCS, Argonne, IL 60439 USA. RP Ohlsson, J (reprint author), KTH Mech, Linne Flow Ctr, Osquars Backe 18, SE-10044 Stockholm, Sweden. EM johan@mech.kth.se FU Knut and Alice Wallenberg (KAW) Foundation at the Centre for Parallel Computers (PDC) at the Royal Institute of Technology (KTH); US Department of Energy [DE-AC02-06CH11357] FX Computer time was provided by ALCF, Argonne National Laboratory (ANL) on the IBM BG/P (ANL) and by SNIC (Swedish National Infrastructure for Computing) with a generous grant by the Knut and Alice Wallenberg (KAW) Foundation at the Centre for Parallel Computers (PDC) at the Royal Institute of Technology (KTH). The third author was supported by the US Department of Energy under contract DE-AC02-06CH11357. NR 21 TC 25 Z9 25 U1 0 U2 17 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD MAY 10 PY 2010 VL 650 BP 307 EP 318 DI 10.1017/S0022112010000558 PG 12 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 603MK UT WOS:000278212500011 ER PT J AU Nam, SH Taylor, AJ Efimov, A AF Nam, Sung Hyun Taylor, Antoinette J. Efimov, Anatoly TI Diabolical point and conical-like diffraction in periodic plasmonic nanostructures SO OPTICS EXPRESS LA English DT Article ID WAVE-GUIDE; ARRAYS AB We present the formation of a singular (diabolical) point in k-space from a periodic metal-dielectric waveguide array. The singularity originates from the balance between alternating normal and anomalous coupling. We numerically demonstrate a strong diffraction anomaly (conical-like diffraction) near the singular point. We also show the evolution of the diffraction pattern with band deformation. The resultant peculiar propagation dynamics of surface plasmon polaritons could provide a new toolset for manipulating light on the nano-scale. (C)2010 Optical Society of America C1 [Nam, Sung Hyun; Taylor, Antoinette J.; Efimov, Anatoly] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Nam, SH (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM snam@lanl.gov OI Efimov, Anatoly/0000-0002-5559-4147 FU U.S. Department of Energy [DE-AC52-6NA25396] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-6NA25396. NR 17 TC 20 Z9 20 U1 0 U2 4 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 10 PY 2010 VL 18 IS 10 BP 10120 EP 10126 DI 10.1364/OE.18.010120 PG 7 WC Optics SC Optics GA 594TD UT WOS:000277560000038 PM 20588866 ER PT J AU Negres, RA Feit, MD Demos, SG AF Negres, R. A. Feit, M. D. Demos, S. G. TI Dynamics of material modifications following laser-breakdown in bulk fused silica SO OPTICS EXPRESS LA English DT Article ID BAND-GAP COLLAPSE; TRANSPARENT MATERIALS; INDUCED DAMAGE; SOLIDS; GLASS AB We report on the material response during the cooling phase in bulk fused silica following localized energy deposition via laser-induced breakdown. We use a time-resolved microscope system to acquire images of the region of energy deposition at delay times covering the entire timeline of events. In addition, this system is configured to perform pump-and-probe damage testing measurements to investigate the evolution of the transient absorption of the modified material. The main features of a damage site are established at similar to 30 ns after the pump pulse, i.e. cracks reach their final size within this time frame. The results reveal that the cracks and melted core exhibit a transient absorption up until about 300 ns and 200 mu s delay times, respectively, and suggest that the melted region returns to solid phase at similar to 70 ms delay. (C) 2010 Optical Society of America C1 [Negres, R. A.; Feit, M. D.; Demos, S. G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Negres, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM negres2@llnl.gov RI Feit, Michael/A-4480-2009 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344. LLNL-JRNL-414381] FX The authors would like to thank J.D. Bude for useful discussions. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-JRNL-414381 NR 18 TC 15 Z9 17 U1 3 U2 19 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD MAY 10 PY 2010 VL 18 IS 10 BP 10642 EP 10649 DI 10.1364/OE.18.010642 PG 8 WC Optics SC Optics GA 594TD UT WOS:000277560000088 PM 20588916 ER PT J AU Pereira, SA Mirazita, M Rossi, P De Sanctis, E Niculescu, G Niculescu, I Stepanyan, S Adhikari, KP Aghasyan, M Anghinolfi, M Baghdasaryan, H Ball, J Battaglieri, M Berman, BL Biselli, AS Bookwalter, C Branford, D Briscoe, WJ Brooks, WK Burkert, VD Careccia, SL Carman, DS Cole, PL Collins, P Crede, V D'Angelo, A Daniel, A Dashyan, N De Vita, R Deur, A Dey, B Dhamija, S Dickson, R Djalali, C Doughty, D Dugger, M Dupre, R El Alaoui, A Eugenio, P Fegan, S Forest, TA Gabrielyan, MY Gavalian, G Gilfoyle, GP Giovanetti, KL Girod, FX Goetz, JT Gohn, W Gothe, RW Griffioen, KA Guidal, M Guler, N Guo, L Hakobyan, H Hanrett, C Hassall, N Hicks, K Holtrop, M Ilieva, Y Ireland, DG Ishkhanov, BS Jawalkar, SS Jo, HS Joo, K Keller, D Khandaker, M Khetarpal, P Kim, W Klein, FJ Kubarovsky, V Kuleshov, SV Kuznetsov, V Livingston, K Mayer, M McCracken, ME McKinnon, B Meyer, CA Mikhailov, K Mineeva, T Mokeev, V Moreno, B Moriya, K Morrison, B Moutarde, H Munevar, E Nadel-Turonski, P Niccolai, S Osipenko, M Ostrovidov, AI Park, K Park, S Pasyuk, E Perrin, Y Pisano, S Pogorelko, O Pozdniakov, S Price, JW Procureur, S Prok, Y Protopopescu, D Raue, BA Ricco, G Ripani, M Ritchie, BG Rosner, G Sabatie, F Saini, MS Salamanca, J Salgado, C Schumacher, RA Seder, E Seraydaryan, H Sharabian, YG Sober, DI Sokhan, D Stepanyan, SS Stoler, P Strakovsky, II Strauch, S Tedeschi, DJ Tkachenko, S Vernarsky, B Vineyard, MF Voutier, E Watts, DP Weygand, DP Wood, MH Zana, L Zhang, J Zhao, B AF Pereira, S. Anefalos Mirazita, M. Rossi, P. De Sanctis, E. Niculescu, G. Niculescu, I. Stepanyan, S. Adhikari, K. P. Aghasyan, M. Anghinolfi, M. Baghdasaryan, H. Ball, J. Battaglieri, M. Berman, B. L. Biselli, A. S. Bookwalter, C. Branford, D. Briscoe, W. J. Brooks, W. K. Burkert, V. D. Careccia, S. L. Carman, D. S. Cole, P. L. Collins, P. Crede, V. D'Angelo, A. Daniel, A. Dashyan, N. De Vita, R. Deur, A. Dey, B. Dhamija, S. Dickson, R. Djalali, C. Doughty, D. Dugger, M. Dupre, R. El Alaoui, A. Eugenio, P. Fegan, S. Forest, T. A. Gabrielyan, M. Y. Gavalian, G. Gilfoyle, G. P. Giovanetti, K. L. Girod, F. X. Goetz, J. T. Gohn, W. Gothe, R. W. Griffioen, K. A. Guidal, M. Guler, N. Guo, L. Hakobyan, H. Hanrett, C. Hassall, N. Hicks, K. Holtrop, M. Ilieva, Y. Ireland, D. G. Ishkhanov, B. S. Jawalkar, S. S. Jo, H. S. Joo, K. Keller, D. Khandaker, M. Khetarpal, P. Kim, W. Klein, F. J. Kubarovsky, V. Kuleshov, S. V. Kuznetsov, V. Livingston, K. Mayer, M. McCracken, M. E. McKinnon, B. Meyer, C. A. Mikhailov, K. Mineeva, T. Mokeev, V. Moreno, B. Moriya, K. Morrison, B. Moutarde, H. Munevar, E. Nadel-Turonski, P. Niccolai, S. Osipenko, M. Ostrovidov, A. I. Park, K. Park, S. Pasyuk, E. Perrin, Y. Pisano, S. Pogorelko, O. Pozdniakov, S. Price, J. W. Procureur, S. Prok, Y. Protopopescu, D. Raue, B. A. Ricco, G. Ripani, M. Ritchie, B. G. Rosner, G. Sabatie, F. Saini, M. S. Salamanca, J. Salgado, C. Schumacher, R. A. Seder, E. Seraydaryan, H. Sharabian, Y. G. Sober, D. I. Sokhan, D. Stepanyan, S. S. Stoler, P. Strakovsky, I. I. Strauch, S. Tedeschi, D. J. Tkachenko, S. Vernarsky, B. Vineyard, M. F. Voutier, E. Watts, D. P. Weygand, D. P. Wood, M. H. Zana, L. Zhang, J. Zhao, B. CA CLAS Collaboration TI Differential cross section of gamma n -> K+Sigma(-) on bound neutrons with incident photons from 1.1 to 3.6 GeV SO PHYSICS LETTERS B LA English DT Article DE Photoproduction; Hyperon; Strangeness; Missing resonances; Nucleon resonance ID DEUTERON PHOTODISINTEGRATION; NONSTRANGE BARYONS; SIGMA(0); LAMBDA; PHOTOPRODUCTION; ENERGIES; MODEL; RESONANCES; DECAYS; PROTON AB Differential cross sections of the reaction gamma d -> K+Sigma(-)(p) have been measured with the CLAS detector at Jefferson Lab using incident photons with energies between 1.1 and 3.6 GeV. This is the first complete set of strangeness photoproduction data on the neutron covering a broad angular range. At energies close to threshold and up to E-gamma similar to 1.8 GeV. the shape of the angular distribution is suggestive of the presence of s-channel production mechanisms. For E-gamma > 1.8 GeV, a clear forward peak appears and becomes more prominent as the photon energy increases, suggesting contributions from t-channel production mechanisms. These data can be used to constrain future analysis of this reaction. (c) 2010 Elsevier B.V. All rights reserved. C1 [Pereira, S. Anefalos; Mirazita, M.; Rossi, P.; De Sanctis, E.; Aghasyan, M.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Niculescu, G.; Niculescu, I.; Giovanetti, K. L.] James Madison Univ, Harrisonburg, VA 22807 USA. [Stepanyan, S.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Deur, A.; Doughty, D.; Guo, L.; Kubarovsky, V.; Mokeev, V.; Raue, B. A.; Sharabian, Y. G.; Weygand, D. P.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Dupre, R.; El Alaoui, A.] Argonne Natl Lab, Argonne, IL 60441 USA. [Collins, P.; Dugger, M.; Morrison, B.; Pasyuk, E.; Ritchie, B. G.] Arizona State Univ, Tempe, AZ 85287 USA. [Goetz, J. T.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Price, J. W.] Calif State Univ Dominguez Hills, Carson, CA 90747 USA. [Wood, M. H.] Canisius Coll, Buffalo, NY 14208 USA. [Biselli, A. S.; Dey, B.; Dickson, R.; McCracken, M. E.; Meyer, C. A.; Moriya, K.; Schumacher, R. A.; Vernarsky, B.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Nadel-Turonski, P.; Sober, D. I.] Catholic Univ Amer, Washington, DC 20064 USA. [Ball, J.; Girod, F. X.; Moreno, B.; Moutarde, H.; Procureur, S.; Sabatie, F.] CEA, Ctr Saclay, Irfu Serv Phys Nucl, F-91191 Gif Sur Yvette, France. [Doughty, D.] Christopher Newport Univ, Newport News, VA 23606 USA. [Gohn, W.; Mineeva, T.; Seder, E.; Zhao, B.] Univ Connecticut, Storrs, CT 06269 USA. [Branford, D.; Sokhan, D.] Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. [Biselli, A. S.] Fairfield Univ, Fairfield, CT 06824 USA. [Dhamija, S.; Gabrielyan, M. Y.; Raue, B. A.] Florida Int Univ, Miami, FL 33199 USA. [Bookwalter, C.; Crede, V.; Eugenio, P.; Hanrett, C.; Ostrovidov, A. I.; Park, S.; Saini, M. S.] Florida State Univ, Tallahassee, FL 32306 USA. [Berman, B. L.; Briscoe, W. J.; Ilieva, Y.; Strakovsky, I. I.; Strauch, S.] George Washington Univ, Washington, DC 20052 USA. [Cole, P. L.; Forest, T. A.; Salamanca, J.] Idaho State Univ, Pocatello, ID 83209 USA. [Anghinolfi, M.; Battaglieri, M.; De Vita, R.; Osipenko, M.; Ricco, G.; Ripani, M.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [D'Angelo, A.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Guidal, M.; Jo, H. S.; Niccolai, S.; Pisano, S.] Inst Phys Nucl, F-91406 Orsay, France. [Mikhailov, K.; Pogorelko, O.; Pozdniakov, S.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Kim, W.; Kuznetsov, V.; Park, K.; Stepanyan, S. S.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Voutier, E.] Univ Grenoble 1, LPSC, CNRS IN2P3, INP, Grenoble, France. [Zana, L.] Univ New Hampshire, Durham, NH 03824 USA. [Khandaker, M.; Salgado, C.] Norfolk State Univ, Norfolk, VA 23504 USA. [Daniel, A.; Hicks, K.] Ohio Univ, Athens, OH 45701 USA. [Adhikari, K. P.; Baghdasaryan, H.; Careccia, S. L.; Gavalian, G.; Guler, N.; Mayer, M.; Seraydaryan, H.; Tkachenko, S.; Zhang, J.] Old Dominion Univ, Norfolk, VA 23529 USA. [Khetarpal, P.; Kubarovsky, V.; Stoler, P.] Rensselaer Polytech Inst, Troy, NY 12180 USA. [Gilfoyle, G. P.] Univ Richmond, Richmond, VA 23173 USA. [D'Angelo, A.] Univ Roma Tor Vergata, I-00133 Rome, Italy. [Ishkhanov, B. S.; Mokeev, V.] Skobeltsyn Nucl Phys Inst, Moscow 119899, Russia. [Gothe, R. W.; Tedeschi, D. J.; Wood, M. H.] Univ S Carolina, Columbia, SC 29208 USA. [Vineyard, M. F.] Union Coll, Schenectady, NY 12308 USA. [Brooks, W. K.; Hakobyan, H.; Joo, K.] Univ Tecn Federico Santa Maria, Valparaiso, Chile. [Fegan, S.; Hassall, N.; Ireland, D. G.; Livingston, K.; McKinnon, B.; Protopopescu, D.; Rosner, G.; Watts, D. P.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Baghdasaryan, H.; Prok, Y.] Univ Virginia, Charlottesville, VA 22901 USA. [Griffioen, K. A.; Jawalkar, S. S.] Coll William & Mary, Williamsburg, VA 23187 USA. [Dashyan, N.; Hakobyan, H.] Yerevan Phys Inst, Yerevan 375036, Armenia. RP Pereira, SA (reprint author), Ist Nazl Fis Nucl, Lab Nazl Frascati, POB 13, I-00044 Frascati, Italy. EM sergio.pereira@lnf.infn.it RI D'Angelo, Annalisa/A-2439-2012; Ireland, David/E-8618-2010; Protopopescu, Dan/D-5645-2012; Zana, Lorenzo/H-3032-2012; Ishkhanov, Boris/E-1431-2012; Zhao, Bo/J-6819-2012; Brooks, William/C-8636-2013; Kuleshov, Sergey/D-9940-2013; Schumacher, Reinhard/K-6455-2013; Meyer, Curtis/L-3488-2014; El Alaoui, Ahmed/B-4638-2015; Sabatie, Franck/K-9066-2015; Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016 OI D'Angelo, Annalisa/0000-0003-3050-4907; Ireland, David/0000-0001-7713-7011; Zhao, Bo/0000-0003-3171-5335; Brooks, William/0000-0001-6161-3570; Kuleshov, Sergey/0000-0002-3065-326X; Schumacher, Reinhard/0000-0002-3860-1827; Meyer, Curtis/0000-0001-7599-3973; Sabatie, Franck/0000-0001-7031-3975; Osipenko, Mikhail/0000-0001-9618-3013; FU Italian Istituto Nazionale di Fisica Nucleare; French Centre National de la Recherche Scientifique; Commissariat a l'Energie Atomique; U.S. Department of Energy; National Science Foundation; National Research Foundation of Korea; UK Science and Technology Facilities Council (STFC); Thomas Jefferson National Accelerator Facility for the United States Department of Energy [DE-AC05-84ER40150] FX We would like to acknowledge the outstanding efforts of the staff of the Accelerator and the Physics Divisions at JLab that made this experiment possible. This work was supported in part by the Italian Istituto Nazionale di Fisica Nucleare, the French Centre National de la Recherche Scientifique and the Commissariat a l'Energie Atomique, the U.S. Department of Energy and the National Science Foundation, the National Research Foundation of Korea, and the UK Science and Technology Facilities Council (STFC). The Southeastern Universities Research Association (SURA) operated the Thomas Jefferson National Accelerator Facility for the United States Department of Energy under contract DE-AC05-84ER40150 during this work. NR 39 TC 11 Z9 11 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD MAY 10 PY 2010 VL 688 IS 4-5 BP 289 EP 293 DI 10.1016/j.physletb.2010.04.028 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 603XY UT WOS:000278242600007 ER PT J AU Lee, HS Ma, E AF Lee, Hye-Sung Ma, Ernest TI Gauged B-x(i)L origin of R parity and its implications SO PHYSICS LETTERS B LA English DT Article DE Supersymmetry; Proton decay; R parity ID BARYON; CONSERVATION; SYMMETRIES; NUMBER AB Gauged B - L is a popular candidate for the origin of the conservation of R parity, i.e. R = (-)(3B+L+2j), in supersymmetry, but it fails to forbid the effective dimension-five terms arising from the superfield combinations Q Q Q L, u(c)u(c)d(c)e(c), and u(c)d(c)d(c)N(c), which allow the proton to decay. Changing it to B - x(i)L, where x(e) + x(mu) + x(tau) = 3 (with x(i) not equal 1) for the three families, would forbid these terms while still serving as a gauge origin of R parity. We show how this is achieved in two minimal models with realistic neutrino mass matrices, and discuss their phenomenological implications. (c) 2010 Elsevier B.V. All rights reserved. C1 [Lee, Hye-Sung] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Ma, Ernest] Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA. RP Lee, HS (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM hlee@bnl.gov RI Lee, Hye-Sung/B-2208-2009 OI Lee, Hye-Sung/0000-0002-7333-3741 FU U.S. Department of Energy [DE-AC02-98CH10886, DE-FG03-94ER40837] FX This work was supported by U.S. Department of Energy Grants No. DE-AC02-98CH10886 (H.L.) and No. DE-FG03-94ER40837 (E.M.). NR 26 TC 12 Z9 12 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD MAY 10 PY 2010 VL 688 IS 4-5 BP 319 EP 322 DI 10.1016/j.physletb.2010.04.032 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 603XY UT WOS:000278242600013 ER PT J AU Huang, SH Pilvi, T Wang, XP Leskela, M Richmond, MG AF Huang, Shih-Huang Pilvi, Tero Wang, Xiaoping Leskela, Markku Richmond, Michael G. TI New octahedral Ta(V) hydrazido-substituted compounds for atomic layer deposition: Syntheses, X-ray diffraction structures of TaCl(NMe2)(3)[N(TMS)NMe2] and Ta(NMe2)(4)[N(TMS)NMe2], and fluxional behavior of the amido and hydrazido ligands in solution SO POLYHEDRON LA English DT Article DE Tantalum-amido compounds; Tantalum-hydrazido compounds; ALD; X-ray crystallography ID CHEMICAL-VAPOR-DEPOSITION; NITRIDE THIN-FILMS; TITANIUM NITRIDE; CRYSTAL-STRUCTURE; PRECURSORS; TANTALUM; COMPLEXES; NIOBIUM; MOCVD; TACL(NME2)(4) AB The synthesis and structural characterization of new tantalum(V) compounds containing a single hydrazido(1) ligand are reported. Hydrazinolysis of TaCl(NMe2)(4) using trimethylsilyl(dimethyl)hydrazine affords the compound TaCl(NMe2)(3)[N(TMS)NMe2] in essentially quantitative yield. Metathetical replacement of the chloride ligand in TaCl(NMe2)(3)]N(TMS)NMe2] by LiNMe2 gives the all-nitrogen coordinated compound Ta(NMe2)(4)[N(TMS)NMe2]. VT H-1 NMR studies support the existence of low-energy pathways involving rotation about the Ta-N bonds of the ancillary amido and hydrazido ligands in both hydrazido-substituted compounds. X-ray crystallographic analyses confirm the octahedral disposition about the tantalum metal in TaCl(NMe2)(3)[N(TMS)NMe2] and Ta(NMe2)(4)[N(TMS)NMe2] and the presence of an mu(2)-hydrazido(1) ligand. Preliminary data using Ta(NMe2)(4)[N(TMS)NMe2] as an ALD precursor for the preparation of tantalum nitride and tantalum oxide thin films are presented. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Huang, Shih-Huang; Richmond, Michael G.] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Pilvi, Tero; Leskela, Markku] Univ Helsinki, Dept Chem, SF-00100 Helsinki, Finland. [Wang, Xiaoping] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Richmond, MG (reprint author), Univ N Texas, Dept Chem, Denton, TX 76203 USA. EM cobalt@unt.edu RI Wang, Xiaoping/E-8050-2012; OI Wang, Xiaoping/0000-0001-7143-8112; Leskela, Markku/0000-0001-5830-2800 FU Robert A. Welch Foundation [B-1093-MGR]; LAM Semiconductor; U.S. Department of Energy, Office of Science [DE-AC05-000R22725] FX Financial support from the Robert A. Welch Foundation (Grant B-1093-MGR) and LAM Semiconductor is greatly appreciated. X. Wang acknowledges the support by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC05-000R22725 managed by UT Battelle, LLC. We thank Prof. David M. Hoffman for providing us with a copy of the 1H NMR spectrum of Ta(NMe2)5 and Dr. Yun Ling (UBC) for recording the El mass spectra of TaCl(NMe2)3[N(TMS)NMe2] and Ta(NMe2)4[N(TMS)NMe2]. NR 40 TC 4 Z9 4 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-5387 J9 POLYHEDRON JI Polyhedron PD MAY 10 PY 2010 VL 29 IS 7 BP 1754 EP 1759 DI 10.1016/j.poly.2010.02.022 PG 6 WC Chemistry, Inorganic & Nuclear; Crystallography SC Chemistry; Crystallography GA 603WH UT WOS:000278238300005 ER PT J AU Boyle, TJ Ottley, LAM Alam, TM Rodriguez, MA Yang, P Mcintyre, SK AF Boyle, Timothy J. Ottley, Leigh Anna M. Alam, Todd M. Rodriguez, Mark A. Yang, Pin Mcintyre, Sarah K. TI Structural characterization of methanol substituted lanthanum halides SO POLYHEDRON LA English DT Article DE Lanthanum; Halides; Scintillators; Methanol; Crystal structure ID RARE-EARTH COMPLEXES; AQUEOUS CHLORIDE SOLUTIONS; RAY CRYSTAL-STRUCTURES; CROWN-ETHER COMPLEXES; N-DONOR LIGANDS; SOLID-STATE; MOLECULAR-STRUCTURE; COORDINATION HYDRATION; TRIPHENYLPHOSPHINE OXIDE; NEUTRAL ERYTHRITOL AB The first study into the alcohol solvation of lanthanum halide [LaX(3)] derivatives as a means to lower the processing temperature for the production of the LaBr(3) scintillators was undertaken using methanol (MeOH). Initially the de-hydration of {[La(mu-Br)(H(2)O)(7)](Br)(2)}(2) (1) was investigated through the simple room temperature dissolution of 1 in MeOH. The mixed solvate monomeric [La(H(2)O)(7)(MeOH)(2)](Br)(3) (2) compound was isolated where the La metal center retains its original 9-coordination through the binding of two additional MeOH solvents but necessitates the transfer of the innersphere Br to the outersphere. In an attempt to in situ dry the reaction mixture of 1 in MeOH over CaH(2), crystals of [Ca(MeOH)(6)](Br)(2) (3) were isolated. Compound 1 dissolved in MeOH at reflux temperatures led to the isolation of an unusual arrangement identified as the salt derivative {[LaBr(2.75)center dot 5.25(MeOH)(+0.25) [LaBr(3.25)center dot 4.75(MeOH)](-0.25)} (4). The fully substituted species was ultimately isolated through the dissolution of dried LaBr3 in MeOH forming the 8-coordinated [LaBr(3)(MeOH)(5)] (5) complex. It was determined that the concentration of the crystallization solution directed the structure isolated (4 concentrated; 5 dilute) The other LaX3 derivatives were isolated as [(MeOH)(4)(Cl)(2)La(mu-Cl)](2) (6) and [La(MeOH)(9)](1)(3)center dot MeOH (7). Beryllium Dome XRD analysis indicated that the bulk material for 5 appear to have multiple solvated species, 6 is consistent with the single crystal, and 7 was too broad to elucidate structural aspects. Multinuclear NMR ((139)La) indicated that these compounds do not retain their structure in MeOD. TGA/DTA data revealed that the de-solvation temperatures of the MeOH derivatives 4-6 were slightly higher in comparison to their hydrated counterparts. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Boyle, Timothy J.; Ottley, Leigh Anna M.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Alam, Todd M.; Mcintyre, Sarah K.] Sandia Natl Labs, Dept Elect & Nanostructured Mat, Albuquerque, NM 87185 USA. [Rodriguez, Mark A.] Sandia Natl Labs, Dept Mat Characterizat, Albuquerque, NM 87185 USA. [Yang, Pin] Sandia Natl Labs, Dept Ceram & Glass, Albuquerque, NM 87185 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA. EM tjboyle@Sandia.gov FU Department of Homeland Security; National Institutes of Health NIH Roadmap for Medical Research [1 R21 EB005365-01]; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC04-94AL85000] FX For support of this research, the authors thank the Department of Homeland Security, the National Institutes of Health funded through the NIH Roadmap for Medical Research, Grant #1 R21 EB005365-01 [information on this RFA (Innovation in Molecular Imaging Probes) can be found at http://grants.nih.gov/grants/guide/rfa-files/RFA-RM-04-021.html], and the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract DE-AC04-94AL85000. Sandia is a multiprogramming laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy. NR 118 TC 13 Z9 13 U1 3 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-5387 J9 POLYHEDRON JI Polyhedron PD MAY 10 PY 2010 VL 29 IS 7 BP 1784 EP 1795 DI 10.1016/j.poly.2010.02.027 PG 12 WC Chemistry, Inorganic & Nuclear; Crystallography SC Chemistry; Crystallography GA 603WH UT WOS:000278238300010 PM 20514349 ER PT J AU Yang, SH Pelletier, DA Lu, TYS Brown, SD AF Yang, Shihui Pelletier, Dale A. Lu, Tse-Yuan S. Brown, Steven D. TI The Zymomonas mobilis regulator hfq contributes to tolerance against multiple lignocellulosic pretreatment inhibitors SO BMC MICROBIOLOGY LA English DT Article ID SACCHAROMYCES GENOME DATABASE; GRAM-NEGATIVE BACTERIA; ETHANOL-PRODUCTION; FERMENTATION PERFORMANCE; ANTIBIOTIC-RESISTANCE; FUEL ETHANOL; PROTEIN; INSERTION; BEHAVIOR; PLASMID AB Background: Zymomonas mobilis produces near theoretical yields of ethanol and recombinant strains are candidate industrial microorganisms. To date, few studies have examined its responses to various stresses at the gene level. Hfq is a conserved bacterial member of the Sm-like family of RNA-binding proteins, coordinating a broad array of responses including multiple stress responses. In a previous study, we observed Z. mobilis ZM4 gene ZMO0347 showed higher expression under anaerobic, stationary phase compared to that of aerobic, stationary conditions. Results: We generated a Z. mobilis hfq insertion mutant AcRIM0347 in an acetate tolerant strain (AcR) background and investigated its role in model lignocellulosic pretreatment inhibitors including acetate, vanillin, furfural and hydroxymethylfurfural (HMF). Saccharomyces cerevisiae Lsm protein (Hfq homologue) mutants and Lsm protein overexpression strains were also assayed for their inhibitor phenotypes. Our results indicated that all the pretreatment inhibitors tested in this study had a detrimental effect on both Z. mobilis and S. cerevisiae, and vanillin had the most inhibitory effect followed by furfural and then HMF for both Z. mobilis and S. cerevisiae. AcRIM0347 was more sensitive than the parental strain to the inhibitors and had an increased lag phase duration and/or slower growth depending upon the conditions. The hfq mutation in AcRIM0347 was complemented partially by trans-acting hfq gene expression. We also assayed growth phenotypes for S. cerevisiae Lsm protein mutant and overexpression phenotypes. Lsm1, 6, and 7 mutants showed reduced tolerance to acetate and other pretreatment inhibitors. S. cerevisiae Lsm protein overexpression strains showed increased acetate and HMF resistance as compared to the wild-type, while the overexpression strains showed greater inhibition under vanillin stress conditions. Conclusions: We have shown the utility of the pKNOCK suicide plasmid for mutant construction in Z. mobilis, and constructed a Gateway compatible expression plasmid for use in Z. mobilis for the first time. We have also used genetics to show Z. mobilis Hfq and S. cerevisiae Lsm proteins play important roles in resisting multiple, important industrially relevant inhibitors. The conserved nature of this global regulator offers the potential to apply insights from these fundamental studies for further industrial strain development. C1 [Yang, Shihui; Pelletier, Dale A.; Lu, Tse-Yuan S.; Brown, Steven D.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Yang, Shihui; Brown, Steven D.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Brown, SD (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM brownsd@ornl.gov RI YANG, SHIHUI/A-6526-2008; Pelletier, Dale/F-4154-2011; Brown, Steven/A-6792-2011; OI YANG, SHIHUI/0000-0002-9394-9148; Brown, Steven/0000-0002-9281-3898; Pelletier, Dale/0000-0002-4321-7918 FU Oak Ridge National Laboratory (ORNL); U.S. Department of Energy [DE-AC05-00OR22725]; Office of Biological and Environmental Research in the DOE Office of Science FX We thank Patricia K. Lankford for Western-blot technical support and the helpful comments from anonymous reviewers for the revision of this manuscript. This work is sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. The BioEnergy Science Center is a U. S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 36 TC 28 Z9 30 U1 0 U2 12 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2180 J9 BMC MICROBIOL JI BMC Microbiol. PD MAY 7 PY 2010 VL 10 AR 135 DI 10.1186/1471-2180-10-135 PG 11 WC Microbiology SC Microbiology GA 603OK UT WOS:000278217700001 PM 20459639 ER PT J AU Smith, DR Lee, RW Cushman, JC Magnuson, JK Tran, D Polle, JEW AF Smith, David Roy Lee, Robert W. Cushman, John C. Magnuson, Jon K. Tran, Duc Polle, Juergen E. W. TI The Dunaliella salina organelle genomes: large sequences, inflated with intronic and intergenic DNA SO BMC PLANT BIOLOGY LA English DT Article ID REINHARDTII MITOCHONDRIAL-DNA; SHORT DISPERSED REPEATS; CHLAMYDOMONAS-REINHARDTII; CHLOROPLAST GENOME; GREEN-ALGAE; NUCLEOTIDE DIVERSITY; GENE REARRANGEMENTS; INVERTED REPEAT; PLASTID GENOME; BETA-CAROTENE AB Background: Dunaliella salina Teodoresco, a unicellular, halophilic green alga belonging to the Chlorophyceae, is among the most industrially important microalgae. This is because D. salina can produce massive amounts of beta-carotene, which can be collected for commercial purposes, and because of its potential as a feedstock for biofuels production. Although the biochemistry and physiology of D. salina have been studied in great detail, virtually nothing is known about the genomes it carries, especially those within its mitochondrion and plastid. This study presents the complete mitochondrial and plastid genome sequences of D. salina and compares them with those of the model green algae Chlamydomonas reinhardtii and Volvox carteri. Results: The D. salina organelle genomes are large, circular-mapping molecules with similar to 60% noncoding DNA, placing them among the most inflated organelle DNAs sampled from the Chlorophyta. In fact, the D. salina plastid genome, at 269 kb, is the largest complete plastid DNA (ptDNA) sequence currently deposited in GenBank, and both the mitochondrial and plastid genomes have unprecedentedly high intron densities for organelle DNA: similar to 1.5 and similar to 0.4 introns per gene, respectively. Moreover, what appear to be the relics of genes, introns, and intronic open reading frames are found scattered throughout the intergenic ptDNA regions - a trait without parallel in other characterized organelle genomes and one that gives insight into the mechanisms and modes of expansion of the D. salina ptDNA. Conclusions: These findings confirm the notion that chlamydomonadalean algae have some of the most extreme organelle genomes of all eukaryotes. They also suggest that the events giving rise to the expanded ptDNA architecture of D. salina and other Chlamydomonadales may have occurred early in the evolution of this lineage. Although interesting from a genome evolution standpoint, the D. salina organelle DNA sequences will aid in the development of a viable plastid transformation system for this model alga, and they will complement the forthcoming D. salina nuclear genome sequence, placing D. salina in a group of a select few photosynthetic eukaryotes for which complete genome sequences from all three genetic compartments are available. C1 [Smith, David Roy; Lee, Robert W.] Dalhousie Univ, Dept Biol, Halifax, NS B3H 4J1, Canada. [Cushman, John C.] Univ Nevada, Dept Biochem & Mol Biol, Reno, NV 89557 USA. [Magnuson, Jon K.] Pacific NW Natl Lab, Chem & Biol Proc Dev Energy & Environm Directorat, Richland, WA 99352 USA. [Tran, Duc; Polle, Juergen E. W.] CUNY Brooklyn Coll, Dept Biol, Brooklyn, NY 11210 USA. RP Smith, DR (reprint author), Dalhousie Univ, Dept Biol, Halifax, NS B3H 4J1, Canada. EM smithdr@dal.ca RI Smith, David/L-7910-2015 OI Smith, David/0000-0001-9560-5210 FU Natural Sciences and Engineering Research Council (NSERC) of Canada; SunGrant Initiative; NIH, National Center for Research Resources [P20 RR-016464]; NIH IDeA Network of Biomedical Research Excellence (INBRE) [RR-03-008]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by a grant to RWL from the Natural Sciences and Engineering Research Council (NSERC) of Canada. DRS. is an Izaak Walton Killam Memorial Scholar and holds a Canada Graduate Scholarship from NSERC. Additional funding was provided by a SunGrant Initiative grant awarded to JCC. We thank Leyla Hathwaik for technical assistance and the DOE JGI for sequencing the D. salina genome and providing the data for this study. Support for the Nevada Genomics, Proteomics, and Bioinformatics Centers was made possible by NIH Grant Number P20 RR-016464 from the INBRE-BRIN Program of the National Center for Research Resources and the NIH IDeA Network of Biomedical Research Excellence (INBRE, RR-03-008). The work conducted by the DOE JGI is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 68 TC 48 Z9 51 U1 0 U2 14 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2229 J9 BMC PLANT BIOL JI BMC Plant Biol. PD MAY 7 PY 2010 VL 10 AR 83 DI 10.1186/1471-2229-10-83 PG 14 WC Plant Sciences SC Plant Sciences GA 609OX UT WOS:000278667500001 PM 20459666 ER PT J AU Sallah, OM Gray, LJ Amer, MA Matbuly, MS AF Sallah, Omar M. Gray, L. J. Amer, M. A. Matbuly, M. S. TI Green's function expansion for exponentially graded elasticity SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE functionally graded materials; Green's function; boundary integral equation; Galerkin boundary element method AB New computational forms are derived for Green's function of an exponentially graded elastic material in three dimensions. By suitably expanding a term in the defining inverse Fourier integral, the displacement tensor can be written as a relatively simple analytic term, plus a single double integral that must be evaluated numerically. The integration is over a fixed finite domain, the integrand involves only elementary functions, and only low-order Gauss quadrature is required for an accurate answer. Moreover, it is expected that this approach will allow a far simpler procedure for obtaining the first and second-order derivatives needed in a boundary integral analysis. The new Green's function expressions have been tested by comparing with results from an earlier algorithm. Copyright (C) 2009 John Wiley & Sons, Ltd. C1 [Sallah, Omar M.; Gray, L. J.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Sallah, Omar M.; Matbuly, M. S.] Zagazig Univ, Fac Engn, Dept Engn Math & Phys, Zagazig, Egypt. [Amer, M. A.] German Univ, Fac Engn, Dept Math, Cairo, Egypt. RP Gray, LJ (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM ljg@ornl.gov FU Egyptian Ministry of Higher Education; Office of Advanced Scientific Computing Research, U.S. Department of Energy [DE-AC05-00OR22725] FX Contract/grant sponsor: Egyptian Ministry of Higher Education; Contract/grant sponsor: Office of Advanced Scientific Computing Research, U.S. Department of Energy; contract/grant number: DE-AC05-00OR22725 NR 14 TC 2 Z9 2 U1 0 U2 3 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD MAY 7 PY 2010 VL 82 IS 6 BP 756 EP 772 DI 10.1002/nme.2786 PG 17 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 586MQ UT WOS:000276914300004 ER PT J AU Laanait, N Yoon, J Hou, B Vanysek, P Meron, M Lin, B Luo, G Benjamin, I Schlossman, ML AF Laanait, Nouamane Yoon, Jaesung Hou, Binyang Vanysek, Petr Meron, Mati Lin, Binhua Luo, Guangming Benjamin, Ilan Schlossman, Mark L. TI Communications: Monovalent ion condensation at the electrified liquid/liquid interface SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE condensation; electrolytes; organic compounds; Poisson equation; water; X-ray reflection ID DOUBLE-LAYER; AQUEOUS-SOLUTIONS; LIQUID INTERFACE; WATER; NITROBENZENE; SURFACE; DISTRIBUTIONS; ELECTROLYTES; ADSORPTION; DYNAMICS AB X-ray reflectivity studies demonstrate the condensation of a monovalent ion at the electrified interface between electrolyte solutions of water and 1,2-dichloroethane. Predictions of the ion distributions by standard Poisson-Boltzmann (Gouy-Chapman) theory are inconsistent with these data at higher applied interfacial electric potentials. Calculations from a Poisson-Boltzmann equation that incorporates a nonmonotonic ion-specific potential of mean force are in good agreement with the data. (c) 2010 American Institute of Physics. [doi: 10.1063/1.3428395] C1 [Laanait, Nouamane; Yoon, Jaesung; Hou, Binyang; Schlossman, Mark L.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Vanysek, Petr] No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA. [Meron, Mati; Lin, Binhua] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA. [Luo, Guangming] Argonne Natl Lab, Div Chem Sci & Engn, Argonne, IL 60439 USA. [Benjamin, Ilan] Univ Calif Santa Cruz, Dept Chem, Santa Cruz, CA 95064 USA. RP Laanait, N (reprint author), Univ Illinois, Dept Phys, Chicago, IL 60607 USA. EM nlaana1@uic.edu; schloss@uic.edu RI Vanysek, Petr/A-1949-2016; Laanait, Nouamane/A-2498-2016; OI Vanysek, Petr/0000-0002-5458-393X; Laanait, Nouamane/0000-0001-7100-4250; Hou, Binyang/0000-0003-0535-7706 FU NSF-CHE; UIC University; GAANN; NSF-DMR; DOE-BES FX M.L.S., P.V., and I. B. acknowledge support from NSF-CHE. N.L. acknowledges support from a UIC University Fellowship and the GAANN program. ChemMatCARS is supported by NSF-CHE, NSF-DMR, and the DOE-BES. The APS at Argonne National Laboratory is supported by the DOE-BES. NR 27 TC 14 Z9 14 U1 1 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 7 PY 2010 VL 132 IS 17 AR 171101 DI 10.1063/1.3428395 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 593AE UT WOS:000277422900001 PM 20459149 ER EF